OCMR: Ontology of Chinese Medicine for Rheumatism
type: Ontology
creator: Yongqun Oliver He
date: 2017-04-20
subject: An ontology of adverse events associated with Chinese medicines.
editor note: Draft version
creator: Jiahao Wang
creator: Qingping Liu
format: OWL-DL
description: The Ontology of Chinese Medicine for Rheumatism (OCMR) is a biomedical ontology that represents traditional Chinese medications for treating various rheumatism diseases, their ingredients, and adverse events, and other related information.
version info: Vision Release; 1.0.11

BFO OWL specification label
type: AnnotationProperty
curator notes: Really of interest to developers only
definition: Relates an entity in the ontology to the name of the variable that is used to represent it in the code that generates the BFO OWL file from the lispy specification.
sub property of: label

BFO CLIF specification label
type: AnnotationProperty
definition source: Person:Alan Ruttenberg
curator notes: Really of interest to developers only
definition: Relates an entity in the ontology to the term that is used to represent it in the the CLIF specification of BFO2
sub property of: label

editor preferred term
type: AnnotationProperty
label: editor preferred term~editor preferred label
label: editor preferred label
editor preferred term: editor preferred term~editor preferred label
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
term editor: PERSON:Daniel Schober
definition: The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English)
editor preferred term: editor preferred term
has curation status: IAO_0000122

example of usage
type: AnnotationProperty
definition: A phrase describing how a class name should be used. May also include other kinds of examples that facilitate immediate understanding of a class semantics, such as widely known prototypical subclasses or instances of the class. Although essential for high level terms, examples for low level terms (e.g., Affymetrix HU133 array) are not
definition: A phrase describing how a term should be used and/or a citation to a work which uses it. May also include other kinds of examples that facilitate immediate understanding, such as widely know prototypes or instances of a class, or cases where a relation is said to hold.
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
term editor: PERSON:Daniel Schober
editor preferred term: example
editor preferred term: example of usage
has curation status: IAO_0000122

has curation status
type: AnnotationProperty
definition source: OBI_0000281
term editor: PERSON:Alan Ruttenberg
term editor: PERSON:Bill Bug
term editor: PERSON:Melanie Courtot
editor preferred term: has curation status

definition
type: AnnotationProperty
label: textual definition
editor note: 2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with.
editor preferred term: definition
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
term editor: PERSON:Daniel Schober
definition: The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
definition: The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
has curation status: IAO_0000122

editor note
type: AnnotationProperty
is metadata tag: 1
database_cross_reference: IAO:0000116
id: editor_note
shorthand: editor_note
has_obo_namespace: uberon
definition: An administrative note intended for its editor. It may not be included in the publication version of the ontology, so it should contain nothing necessary for end users to understand the ontology.
definition source: GROUP:OBI:<http://purl.obfoundry.org/obo/obi>
term editor: PERSON:Daniel Schober
editor preferred term: editor note
has curation status: IAO_0000122

term editor
type: AnnotationProperty
label: definition editor
editor note: 20110707, MC: label update to term editor and definition modified accordingly. See http://code.google.com/p/information-artifact-ontology/issues/detail?id=115.
editor note: 20110707, MC: label update to term editor and definition modified accordingly. See https://github.com/information-artifact-ontology/IAO/issues/115.
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
definition: Name of editor entering the term in the file. The term editor is a point of contact for information regarding the term. The term editor may be, but is not always, the author of the definition, which may have been worked upon by several people
term editor: PERSON:Daniel Schober
editor preferred term: term editor
has curation status: IAO_0000122

alternative term
type: AnnotationProperty
definition: An alternative name for a class or property which means the same thing as the preferred name (semantically equivalent)
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
term editor: PERSON:Daniel Schober
editor preferred term: alternative term
has curation status: IAO_0000125

definition source
type: AnnotationProperty
definition source: Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
term editor: PERSON:Daniel Schober
editor preferred term: definition source
definition: formal citation, e.g. identifier in external database to indicate / attribute source(s) for the definition. Free text indicate / attribute source(s) for the definition. EXAMPLE: Author Name, URI, MeSH Term C04, PUBMED ID, Wiki uri on 31.01.2007
has curation status: IAO_0000122

curator notes
type: AnnotationProperty
label: curator note
is metadata tag: 1
database_cross_reference: IAO:0000232
id: curator_notes
shorthand: curator_notes
is metadata tag: true
has_obo_namespace: uberon
definition: An administrative note of use for a curator but of no use for a user
term editor: PERSON:Alan Ruttenberg
editor preferred term: curator note
has curation status: IAO_0000122

imported from
type: AnnotationProperty
definition: For external terms/classes, the ontology from which the term was imported
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
term editor: PERSON:Alan Ruttenberg
term editor: PERSON:Melanie Courtot
editor preferred term: imported from
has curation status: IAO_0000125

expand expression to
type: AnnotationProperty

expand assertion to
type: AnnotationProperty

elucidation
type: AnnotationProperty
definition source: Person:Barry Smith
elucidation: Primitive terms in a highest-level ontology such as BFO are terms which are so basic to our understanding of reality that there is no way of defining them in a non-circular fashion. For these, therefore, we can provide only elucidations, supplemented by examples and by axioms
editor preferred term: elucidation
term editor: person:Alan Ruttenberg

has associated axiom(nl)
type: AnnotationProperty
elucidation: An axiom associated with a term expressed using natural language
definition source: Person:Alan Ruttenberg
term editor: Person:Alan Ruttenberg
editor preferred term: has associated axiom(nl)

has associated axiom(fol)
type: AnnotationProperty
elucidation: An axiom expressed in first order logic using CLIF syntax
definition source: Person:Alan Ruttenberg
term editor: Person:Alan Ruttenberg
editor preferred term: has associated axiom(fol)

Chinese translation
type: AnnotationProperty
term editor: YH, JX
comment: a chinese translation represents a chinese translation of the existing term.

adverse event outcome
type: AnnotationProperty
example of usage: The AE 'cough AE' has the 'label of AE outcome' of 'cough'; 'infection AE' has the 'label of AE outcom' of 'infection'.
definition: an annotation property that represents the label of an adverse event
alternative term: label of adverse event outcome
term editor: Yongqun Oliver He, Jiangan Hardy Xie
sub property of: label

has_meddra_id
type: AnnotationProperty

temporal interpretation
type: AnnotationProperty
definition: An assertion that holds between an OWL Object Property and a temporal interpretation that elucidates how OWL Class Axioms that use this property are to be interpreted in a temporal context.
sub property of: logical macro assertion on an object property

never in taxon
type: AnnotationProperty
definition: x never in taxon T if and only if T is a class, and x does not instantiate the class expression "in taxon some T". Note that this is a shortcut relation, and should be used as a hasValue restriction in OWL.
expand assertion to: ?X DisjointWith RO_0002162 some ?Y
term editor: Chris Mungall
example of usage: tooth SubClassOf 'never in taxon' value 'Aves'
sub property of: taxonomic class assertion
definition source: http://www.ncbi.nlm.nih.gov/pubmed/17921072
definition source: http://www.ncbi.nlm.nih.gov/pubmed/20973947

taxonomic class assertion
type: AnnotationProperty
definition: An assertion that holds between an ontology class and an organism taxon class, which is intepreted to yield some relationship between instances of the ontology class and the taxon.
sub property of: logical macro assertion on a class

dubious_for_taxon
type: AnnotationProperty
is class level: 1
is metadata tag: 1
database_cross_reference: RO:0002174
definition: S dubious_for_taxon T if it is probably the case that no instances of S can be found in any instance of T.
shorthand: dubious_for_taxon
id: dubious_for_taxon
comment: this relation lacks a strong logical interpretation, but can be used in place of never_in_taxon where it is desirable to state that the definition of the class is too strict for the taxon under consideration, but placing a never_in_taxon link would result in a chain of inconsistencies that will take time to resolve. Example: metencephalon in teleost
has_obo_namespace: uberon

present_in_taxon
type: AnnotationProperty
is class level: 1
is metadata tag: 1
database_cross_reference: RO:0002175
definition: S present_in_taxon T if some instance of T has some S. This does not means that all instances of T have an S - it may only be certain life stages or sexes that have S
has_exact_synonym: applicable for taxon
id: present_in_taxon
shorthand: present_in_taxon
has_obo_namespace: uberon

logical macro assertion
type: AnnotationProperty
definition: An assertion that involves at least one OWL object that is intended to be expanded into one or more logical axioms. The logical expansion can yield axioms expressed using any formal logical system, including, but not limited to OWL2-DL.

logical macro assertion on a class
type: AnnotationProperty
definition: A logical macro assertion whose domain is an IRI for a class
editor note: The domain for this class can be considered to be owl:Class, but we cannot assert this in OWL2-DL
sub property of: logical macro assertion

logical macro assertion on a property
type: AnnotationProperty
definition: A logical macro assertion whose domain is an IRI for a property
sub property of: logical macro assertion

logical macro assertion on an object property
type: AnnotationProperty
sub property of: logical macro assertion on a property

logical macro assertion on an annotation property
type: AnnotationProperty
sub property of: logical macro assertion on a property

is direct form of
type: AnnotationProperty
creator: Chris Mungall
definition: relation p is the direct form of relation q iff p is a subPropertyOf q, p does not have the Transitive characteristic, q does have the Transitive characteristic, and for all x, y: x q y -> exists z1, z2, ..., zn such that x p z1 ... z2n y
logical macro assertion on an annotation property: If we have the annotation P is-direct-form-of Q, and we have inverses P' and Q', then it follows that P' is-direct-form-of Q'
sub property of: logical macro assertion on an object property

external_definition
type: AnnotationProperty
is metadata tag: 1
definition: An alternate textual definition for a class taken unmodified from an external source. This definition may have been used to derive a generalized definition for the new class.
comment: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000001
id: external_definition
shorthand: external_definition
is metadata tag: true
has_obo_namespace: uberon

axiom_lost_from_external_ontology
type: AnnotationProperty
is metadata tag: 1
definition: A textual description of an axiom loss in this ontology compared to an external ontology.
comment: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000002
shorthand: axiom_lost_from_external_ontology
id: axiom_lost_from_external_ontology
has_obo_namespace: uberon

homology_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on the homology status of this class.
comment: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000003
shorthand: homology_notes
id: homology_notes
has_obo_namespace: uberon

external_comment
type: AnnotationProperty
is metadata tag: 1
definition: An alternate comment for a class taken unmodified from an external source. Note that obo format only allows a single comment for a class, and does not provide a structured means of adding provenance info.
comment: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000005
id: external_comment
shorthand: external_comment
has_obo_namespace: uberon

implements_design_pattern
type: AnnotationProperty
is metadata tag: 1
database_cross_reference: UBPROP:0000006
id: implements_design_pattern
shorthand: implements_design_pattern
has_obo_namespace: uberon

has_relational_adjective
type: AnnotationProperty
is metadata tag: 1
has db xref: UBPROP:0000007
curator notes: Used to connect a class to an adjectival form of its label. For example, a class with label 'intestine' may have a relational adjective 'intestinal'.
id: has_relational_adjective
shorthand: has_relational_adjective
is metadata tag: true
has OBO namespace: uberon

taxon_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on the how instances of this class vary across species.
database_cross_reference: UBPROP:0000008
shorthand: taxon_notes
id: taxon_notes
has_obo_namespace: uberon

function_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on the evolved function of instances of this class.
editor note: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000009
shorthand: function_notes
id: function_notes
has_obo_namespace: uberon

structure_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on the structure, composition or histology of instances of this class.
editor note: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000010
id: structure_notes
shorthand: structure_notes
has_obo_namespace: uberon

development_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on the ontogenic development of instances of this class.
editor note: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000011
shorthand: development_notes
id: development_notes
has_obo_namespace: uberon

external_ontology_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on how similar or equivalent classes are represented in other ontologies.
editor note: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000012
shorthand: external_ontology_notes
id: external_ontology_notes
has_obo_namespace: uberon

terminology_notes
type: AnnotationProperty
is metadata tag: 1
definition: Notes on how lexical conventions regarding this class, in particular any issues that may arise due to homonyny or synonymy.
editor note: This annotation property may be replaced with an annotation property from an external ontology such as IAO
database_cross_reference: UBPROP:0000013
id: terminology_notes
shorthand: terminology_notes
has_obo_namespace: uberon

is count of
type: AnnotationProperty
is metadata tag: 1
database_cross_reference: UBPROP:0000100
id: is_count_of
shorthand: is_count_of
has_obo_namespace: uberon

preceding element is
type: AnnotationProperty
is metadata tag: 1
definition: A property used in conjunction with repeated_element_number to indicate an axis and directionality along that axis. If P preceding_element_is R, and P is_count_of S, and X P N, and X' P N+1, then it follows that every X R some X', and the class expression [S and R some X' and inv(R) some X] is empty (i.e. X is followed by X', with no intermediates)
database_cross_reference: UBPROP:0000101
shorthand: preceding_element_is
id: preceding_element_is
has_obo_namespace: uberon

phalanx number
type: AnnotationProperty
is metadata tag: 1
comment: Most land mammals including humans have a 2-3-3-3-3 formula in both the hands (or paws) and feet. Primitive reptiles typically had the formula 2-3-4-4-5, and this pattern, with some modification, remained in many later reptiles and in the mammal-like reptiles. The phalangeal formula in the flippers of cetaceans (marine mammals) is 2-12-8-1
database_cross_reference: UBPROP:0000105
id: phalanx_number
shorthand: phalanx_number
has_obo_namespace: uberon
definition: x phalanx_number N if and only if (i) x is a phalanx, and (ii) x is phalanx number N in a series of phalanges repeated along an prixomo-distal axis, with phalanx_number 1 being the proximalmost phalanx. Note that in humans, the distalmost phalanx has phlanax_number 3, except in ray_number 1, where the distalmost has phalanx_number 2
preceding element is: proximal_to
is count of: UBERON_0003221

fma_set_term
type: AnnotationProperty
is metadata tag: 1
external_ontology_notes: FMA has terms like 'set of X'. In general we do not include set-of terms in uberon, but provide a mapping between the singular form and the FMA set term
database_cross_reference: UBPROP:0000202
shorthand: fma_set_term
id: fma_set_term
has_obo_namespace: uberon

has_rank
type: AnnotationProperty
definition: A metadata relation between a class and its taxonomic rank (eg species, family)
has OBO namespace: ncbi_taxonomy

eco subset
type: AnnotationProperty
sub property of: subset_property

cumbo
type: AnnotationProperty
comment: CUMBO
sub property of: subset_property

developmental classification
type: AnnotationProperty
comment: developmental_classification
sub property of: subset_property

early development
type: AnnotationProperty
comment: A class that represents an early developmental structure, like a blastocyst. This part of the ontology is undergoing review to remove inappropriate grouping classes.
sub property of: subset_property

efo slim
type: AnnotationProperty
comment: EFO slim
sub property of: subset_property

emapa ehdaa2
type: AnnotationProperty
comment: derived from the union of EHDAA2 and EMAPA - still to be checked
sub property of: subset_property

functional classification
type: AnnotationProperty
comment: functional_classification
sub property of: subset_property

grouping class
type: AnnotationProperty
comment: Subset consisting of classes creating for grouping purposes
sub property of: subset_property

homology grouping
type: AnnotationProperty
comment: A grouping class that depends on an assumption of homology between subclasses
sub property of: subset_property

inconsistent with fma
type: AnnotationProperty
comment: classes that have some inconsistency with FMA
sub property of: subset_property

major organ
type: AnnotationProperty
comment: somewhat fuzzy grouping for analysis purposes, currently composed of something like: liver, heart, skeletal, kidney, bladder, brain, skin, mouth, esophagus, stomach, small intestine, large intestines, trachea nose, lungs, brain, spinal cord, peripheral nerves, kidneys, ureters, bladder, urethra, gonads
sub property of: subset_property

non informative
type: AnnotationProperty
comment: abstract class brought in to group ontology classes but not informative
sub property of: subset_property

organ slim
type: AnnotationProperty
comment: organs, excluding individual muscles and skeletal elements
sub property of: subset_property

pheno slim
type: AnnotationProperty
comment: Phenotype slim
sub property of: subset_property

uberon slim
type: AnnotationProperty
comment: Uberon slim - subset that excludes obscure terms and deep compositional terms
sub property of: subset_property

upper level
type: AnnotationProperty
comment: abstract upper-level terms not directly useful for analysis
sub property of: subset_property

vertebrate core
type: AnnotationProperty
comment: core classes typically found across vertebrates. one purpose is to create a rough set of terms that could be used to start a new vertebrate AO
sub property of: subset_property

contributor
type: AnnotationProperty
is metadata tag: 1
id: dc-contributor
shorthand: dc-contributor
has_obo_namespace: uberon

Source
type: AnnotationProperty

subset_property
type: AnnotationProperty

has_alternative_id
type: AnnotationProperty

has_broad_synonym
type: AnnotationProperty

database_cross_reference
type: AnnotationProperty

has_exact_synonym
type: AnnotationProperty

has_narrow_synonym
type: AnnotationProperty

has_obo_namespace
type: AnnotationProperty

has_related_synonym
type: AnnotationProperty

in_subset
type: AnnotationProperty

shorthand
type: AnnotationProperty

label
type: AnnotationProperty

depicted_by
type: AnnotationProperty
is metadata tag: 1
shorthand: foaf-depicted_by
id: foaf-depicted_by
has_obo_namespace: uberon

part of
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BFO:0000050
shorthand: part_of
id: part_of
has_obo_namespace: uberon
editor note: Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other.
editor note: Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
definition: a core relation that holds between a part and its whole
editor preferred term: is part of
example of usage: my brain is part of my body (continuant parthood, two material entities)
example of usage: my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)
alternative term: part_of
example of usage: this day is part of this year (occurrent parthood)
inverse of: has part
temporal interpretation: RO_0001901
sub property of: overlaps
imported from: go.owl
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl

has part
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BFO:0000051
id: has_part
shorthand: has_part
has_obo_namespace: uberon
editor note: Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part.
editor note: Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
definition: a core relation that holds between a whole and its part
editor preferred term: has part
alternative term: has_part
example of usage: my body has part my brain (continuant parthood, two material entities)
example of usage: my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)
example of usage: this year has part this day (occurrent parthood)
temporal interpretation: RO_0001901
sub property of: overlaps
sub property of: has material contribution from
imported from: dron.owl
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl

is_bearer_of
type: ObjectProperty
label: is bearer of
imported from: http://purl.obolibrary.org/obo/omrse.owl
alternative term: bearer of
alternative term: bearer_of
imported from: dron.owl
sub property of: topObjectProperty

realized in
type: ObjectProperty
imported from: http://purl.obolibrary.org/obo/ro.owl
comment: Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
elucidation: [copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
alternative term: is realized by
editor preferred term: realized in
alternative term: realized_in
example of usage: this disease is realized in this disease course
example of usage: this fragility is realized in this shattering
example of usage: this investigator role is realized in this investigation
imported from: dron.owl
sub property of: topObjectProperty

preceded_by
type: ObjectProperty
type: TransitiveProperty
label: preceded by
database_cross_reference: BFO:0000062
definition: X preceded_by Y iff: end(Y) before_or_simultaneous_with start(X)
has_exact_synonym: is preceded by
shorthand: preceded_by
id: preceded_by
has_exact_synonym: takes place after
has_obo_namespace: uberon
editor note: An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other.
Source: http://www.obofoundry.org/ro/#OBO_REL:preceded_by
alternative term: is preceded by
editor preferred term: preceded by
alternative term: preceded_by
definition: x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
range: occurrent
domain: occurrent
inverse of: precedes
sub property of: ends after
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
in_subset: eco subset
property chain axiom: starts during
property chain axiom: part of
property chain axiom: happens during

precedes
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BFO:0000063
id: precedes
shorthand: precedes
has_obo_namespace: uberon
editor preferred term: precedes
definition: x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
domain: occurrent
range: occurrent
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
in_subset: eco subset
property chain axiom: happens during
property chain axiom: part of

occurs in
type: ObjectProperty
comment: Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant
definition: b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
editor preferred term: occurs in
alternative term: occurs_in
alternative term: unfolds in
alternative term: unfolds_in
domain: occurrent
range: independent continuant
inverse of: contains process
imported from: go.owl
imported from: oae.owl
imported from: ro.owl
property chain axiom: part of

contains process
type: ObjectProperty
comment: Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant
definition: [copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
editor preferred term: site of
imported from: oae.owl
imported from: ro.owl

anterior_to
type: ObjectProperty
type: TransitiveProperty
creation date: 2009-07-31T02:15:46Z
database_cross_reference: BSPO:0000096
id: anterior_to
shorthand: anterior_to
created by: cjm
has_obo_namespace: uberon
definition: x anterior_to y iff x is further along the antero-posterior axis than y, towards the head. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail: bearer
imported from: oae.owl
imported from: uberon.owl

distal_to
type: ObjectProperty
database_cross_reference: BSPO:0000097
id: distal_to
shorthand: distal_to
has_obo_namespace: uberon
definition: x distal_to y iff x is further along the proximo-distal axis than y, towards the appendage tip. A proximo-distal axis extends from tip of an appendage (distal) to where it joins the body (proximal).
imported from: oae.owl
imported from: uberon.owl

dorsal_to
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BSPO:0000098
shorthand: dorsal_to
id: dorsal_to
has_obo_namespace: uberon
definition: x dorsal_to y iff x is further along the dorso-ventral axis than y, towards the back. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly).
inverse of: ventral_to
imported from: oae.owl
imported from: uberon.owl

posterior_to
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BSPO:0000099
has_narrow_synonym: caudal_to
id: posterior_to
shorthand: posterior_to
has_obo_namespace: uberon
definition: x posterior_to y iff x is further along the antero-posterior axis than y, towards the body/tail. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail.
imported from: oae.owl
imported from: uberon.owl

proximal_to
type: ObjectProperty
database_cross_reference: BSPO:0000100
shorthand: proximal_to
id: proximal_to
has_obo_namespace: uberon
definition: x proximal_to y iff x is closer to the point of attachment with the body than y.
imported from: oae.owl
imported from: uberon.owl

ventral_to
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BSPO:0000102
has_obo_namespace: uberon
id: ventral_to
shorthand: ventral_to
definition: x ventral_to y iff x is further along the dorso-ventral axis than y, towards the front. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly).
imported from: oae.owl
imported from: uberon.owl

deep_to
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: BSPO:0000107
definition: Further away from the surface of the organism. Thus, the muscular layer is deep to the skin, but superficial to the intestines.
shorthand: deep_to
id: deep_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

superficial_to
type: ObjectProperty
database_cross_reference: BSPO:0000108
definition: Near the outer surface of the organism. Thus, skin is superficial to the muscle layer.
id: superficial_to
shorthand: superficial_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

in_posterior_side_of
type: ObjectProperty
database_cross_reference: BSPO:0000122
definition: X posterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the posterior portion.
id: in_posterior_side_of
shorthand: in_posterior_side_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

in_anterior_side_of
type: ObjectProperty
database_cross_reference: BSPO:0000123
definition: X anterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the anterior portion.
id: in_anterior_side_of
shorthand: in_anterior_side_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

in_proximal_side_of
type: ObjectProperty
database_cross_reference: BSPO:0000124
definition: X proximal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the proximal portion.
id: in_proximal_side_of
shorthand: in_proximal_side_of
has_obo_namespace: uberon
sub property of: part of
inverse of: in_distal_side_of
imported from: oae.owl
imported from: uberon.owl

in_distal_side_of
type: ObjectProperty
database_cross_reference: BSPO:0000125
definition: X distal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the distal portion.
shorthand: in_distal_side_of
id: in_distal_side_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

in_lateral_side_of
type: ObjectProperty
database_cross_reference: BSPO:0000126
definition: X in_lateral_side_of Y <=> if X is in_left_side_of Y or X is in_right_side_of Y. X is often, but not always a paired structure
shorthand: in_lateral_side_of
id: in_lateral_side_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl
property disjoint with: in_central_side_of

proximalmost_part_of
type: ObjectProperty
database_cross_reference: BSPO:0001106
definition: X proximalmost_part_of Y <=> X is part_of Y and X is adjacent_to the proximal boundary of Y
id: proximalmost_part_of
shorthand: proximalmost_part_of
has_obo_namespace: uberon
sub property of: in_proximal_side_of
imported from: oae.owl
imported from: uberon.owl

distalmost_part_of
type: ObjectProperty
database_cross_reference: BSPO:0001108
definition: X distalmost_part_of Y <=> X is part_of Y and X is adjacent_to the distal boundary of Y
id: distalmost_part_of
shorthand: distalmost_part_of
has_obo_namespace: uberon
sub property of: in_distal_side_of
imported from: oae.owl
imported from: uberon.owl

is evidence of
type: ObjectProperty
editor note: This represents a relation between two adverse events AE1 and AE2. However, AE1 may be an evidence of another adverse event AE3, and a dfferent adverse event AE4 may also be an evidence of the same AE2.
term editor: SS, YH, YL
example of usage: An electrocardiogram qt prolonged AE is_evidence_of arrhythmia AE; arrhythmia AE is_evidence_of cardiomyopathy AE; fever AE is_evidence_of inflammation AE; fever AE is_evidence_of viral infection AE; plural effusion AE is_evidence_of cardiac disorder AE.
imported from: oae.owl

has participant quality
type: ObjectProperty
definition: an object property that represents a relation between a process and a quality, in which the process has a participant that has the quality.
example of usage: An adverse event has a participant quality, such as a hyperkalemia AE has a participatn quality blood potassium increased.
term editor: Yongqun He
imported from: oae.owl

adverse event occurs in
type: ObjectProperty
definition: a 'occurs in' relation that is applied at the adverse event setting and indicates where an adverse event occurs in.
term editor: Yongqun He
sub property of: occurs in
imported from: oae.owl

inheres in
type: ObjectProperty
imported from: http://purl.obolibrary.org/obo/ro.owl
editor note: A dependent inheres in its bearer at all times for which the dependent exists.
definition: a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence
editor preferred term: inheres in
alternative term: inheres_in
example of usage: this fragility inheres in this vase
example of usage: this red color inheres in this apple
temporal interpretation: RO_0001901
imported from: dron.owl
sub property of: topObjectProperty

participates in
type: ObjectProperty
definition: a relation between a continuant and a process, in which the continuant is somehow involved in the process
editor preferred term: participates in
alternative term: participates_in
example of usage: this blood clot participates in this blood coagulation
example of usage: this input material (or this output material) participates in this process
example of usage: this investigator participates in this investigation
domain: continuant
range: occurrent
inverse of: has participant
imported from: ro.owl

has participant
type: ObjectProperty
imported from: http://purl.obolibrary.org/obo/ro.owl
editor note: Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time.
definition: a relation between a process and a continuant, in which the continuant is somehow involved in the process
editor preferred term: has participant
Source: http://www.obofoundry.org/ro/#OBO_REL:has_participant
alternative term: has_participant
example of usage: this blood coagulation has participant this blood clot
example of usage: this investigation has participant this investigator
example of usage: this process has participant this input material (or this output material)
imported from: dron.owl
sub property of: topObjectProperty

has role
type: ObjectProperty
is transitive: 0
is cyclic: 0
database_cross_reference: RO:0000087
has_obo_namespace: chebi_ontology
id: has_role
shorthand: has_role
imported from: chebi.owl

location_of
type: ObjectProperty
database_cross_reference: RO:0001015
id: location_of
shorthand: location_of
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

located_in
type: ObjectProperty
database_cross_reference: RO:0001025
id: located_in
shorthand: located_in
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

has boundary
type: ObjectProperty
database_cross_reference: RO:0002002
id: has_boundary
shorthand: has_boundary
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

bounding layer of
type: ObjectProperty
comment: A relationship that applies between a continuant and its outer, bounding layer. Examples include the relationship between a multicellular organism and its integument, between an animal cell and its plasma membrane, and between a membrane bound organelle and its outer/bounding membrane.
database_cross_reference: RO:0002007
id: bounding_layer_of
shorthand: bounding_layer_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

before or simultaneous with
type: ObjectProperty
alternative term: <=
term editor: David Osumi-Sutherland
comment: Primitive instance level timing relation between events
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset

simultaneous_with
type: ObjectProperty
type: TransitiveProperty
label: simultaneous with
database_cross_reference: RO:0002082
definition: Relation between occurrents, shares start and end boundaries.
has_exact_synonym: coincides_with
has_exact_synonym: is_equal_to
shorthand: simultaneous_with
id: simultaneous_with
has_obo_namespace: uberon
term editor: David Osumi-Sutherland
comment: t1 simultaneous_with t2 iff:= t1 before_or_simultaneous_with t2 and not (t1 before t2)
sub property of: before or simultaneous with
sub property of: starts
sub property of: ends
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
in_subset: eco subset

ends after
type: ObjectProperty
type: TransitiveProperty
term editor: David Osumi-Sutherland
comment: X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset
property chain axiom: ends during
property chain axiom: preceded_by

immediately_preceded_by
type: ObjectProperty
label: immediately preceded by
external_definition: A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251].
database_cross_reference: RO:0002087
definition: X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
has_exact_synonym: directly preceded by
shorthand: immediately_preceded_by
id: immediately_preceded_by
has_exact_synonym: is directly preceded by
has_exact_synonym: is immediately preceded by
has_exact_synonym: starts_at_end_of
has_obo_namespace: uberon
alternative term: starts_at_end_of
term editor: David Osumi-Sutherland
comment: X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
sub property of: preceded_by
inverse of: immediately precedes
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
property chain axiom: starts with
property chain axiom: ends with

immediately precedes
type: ObjectProperty
alternative term: ends_at_start_of
alternative term: meets
term editor: David Osumi-Sutherland
comment: X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)
is direct form of: precedes
sub property of: precedes
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset
property chain axiom: ends with
property chain axiom: starts with

starts during
type: ObjectProperty
term editor: David Osumi-Sutherland
comment: X starts_during Y iff: (start(Y) before_or_simultaneous_with start(X)) AND (start(X) before_or_simultaneous_with end(Y))
alternative term: io
domain: occurrent
range: occurrent
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset

happens during
type: ObjectProperty
type: TransitiveProperty
comment: X happens_during Y iff: (start(Y) before_or_simultaneous_with start(X)) AND (end(X) before_or_simultaneous_with end(Y))
alternative term: d
alternative term: during
term editor: David Osumi-Sutherland
sub property of: ends during
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset

ends during
type: ObjectProperty
term editor: David Osumi-Sutherland
alternative term: o
alternative term: overlaps
comment: X ends_during Y iff: ((start(Y) before_or_simultaneous_with end(X)) AND end(X) before_or_simultaneous_with end(Y).
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset

overlaps
type: ObjectProperty
expand expression to: http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)
definition: x overlaps y if and only if there exists some z such that x has part z and z part of y
has curation status: IAO_0000125
temporal interpretation: RO_0001901
sub property of: mereotopologically related to
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
in_subset: eco subset
property chain axiom: part of
property chain axiom: has part

continuous_with
type: ObjectProperty
type: SymmetricProperty
database_cross_reference: RO:0002150
shorthand: continuous_with
id: continuous_with
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

homologous_to
type: ObjectProperty
database_cross_reference: RO:0002158
shorthand: homologous_to
id: homologous_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

connected to
type: ObjectProperty
definition: Binary relationship: x connected_to y if and only if there exists some z such that z connects x and y in a ternary connected_to(x,y,z) relationship.
comment: Connection does not imply overlaps.
database_cross_reference: RO:0002170
id: connected_to
shorthand: connected_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl
sub property of: transitively_connected to

connects
type: ObjectProperty
definition: Binary relationship: z connects x if and only if there exists some y such that z connects x and y in a ternary connected_to(x,y,z) relationship.
database_cross_reference: RO:0002176
id: connects
shorthand: connects
editor note: this is currently used for both structural relationships (such as between a valve and the chamber it connects) and abstract relationships (anatomical lines and the entities they connect)
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

attaches_to_part_of
type: ObjectProperty
database_cross_reference: RO:0002177
shorthand: attaches_to_part_of
id: attaches_to_part_of
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl
property chain axiom: attaches_to
property chain axiom: part of

supplies
type: ObjectProperty
has_alternative_id: FMA:86003
database_cross_reference: RO:0002178
has_exact_synonym: arterial supply of
definition: relation between an artery and the structure is supplies with blood.
comment: source: FMA
id: supplies
shorthand: supplies
has_obo_namespace: uberon
sub property of: connected to
imported from: oae.owl
imported from: uberon.owl

develops_from
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: RO:0002202
id: develops_from
shorthand: develops_from
has_obo_namespace: uberon
inverse of: develops_into
sub property of: has developmental contribution from
sub property of: has material contribution from
imported from: oae.owl
imported from: uberon.owl
property chain axiom: part of

develops_into
type: ObjectProperty
database_cross_reference: RO:0002203
shorthand: develops_into
id: develops_into
has_obo_namespace: uberon
sub property of: has potential to develop into
imported from: oae.owl
imported from: uberon.owl

surrounded_by
type: ObjectProperty
database_cross_reference: RO:0002219
shorthand: surrounded_by
id: surrounded_by
has_obo_namespace: uberon
definition: x surrounded_by y iff: x is adjacent to y and for every region r adjacent to x, r overlaps y
inverse of: surrounds
imported from: oae.owl
imported from: uberon.owl

adjacent_to
type: ObjectProperty
type: SymmetricProperty
database_cross_reference: RO:0002220
id: adjacent_to
shorthand: adjacent_to
has_obo_namespace: uberon
definition: x adjacent_to y iff: x and y share a boundary
imported from: oae.owl
imported from: uberon.owl

surrounds
type: ObjectProperty
database_cross_reference: RO:0002221
definition: inverse of surrounded_by
shorthand: surrounds
id: surrounds
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

temporally related to
type: ObjectProperty
Source: https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit
term editor: Chris Mungall
curator notes: Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends.
comment: A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations.
domain: occurrent
range: occurrent
has curation status: IAO_0000125
imported from: oae.owl
imported from: ro.owl
in_subset: eco subset
definition source: Allen's interval algebra

starts
type: ObjectProperty
database_cross_reference: RO:0002223
definition: Relation between occurrents, shares a start boundary with.
id: starts
shorthand: starts
has_obo_namespace: uberon
sub property of: part of
inverse of: starts with
imported from: oae.owl
imported from: uberon.owl

starts with
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: RO:0002224
id: starts_with
shorthand: starts_with
has_obo_namespace: uberon
alternative term: started by
definition: x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
example of usage: Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor
term editor: Chris Mungall
sub property of: has part
has curation status: IAO_0000125
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
in_subset: eco subset

ends
type: ObjectProperty
database_cross_reference: RO:0002229
definition: Relation between occurrents, shares an end boundary with.
shorthand: ends
id: ends
has_exact_synonym: finishes
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

ends with
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: RO:0002230
shorthand: ends_with
id: ends_with
has_obo_namespace: uberon
term editor: Chris Mungall
alternative term: finished by
definition: x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
sub property of: has part
has curation status: IAO_0000125
sub property of: temporally related to
imported from: oae.owl
imported from: ro.owl
imported from: uberon.owl
in_subset: eco subset

has developmental contribution from
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: RO:0002254
shorthand: has_developmental_contribution_from
id: has_developmental_contribution_from
has_obo_namespace: uberon
sub property of: has material contribution from
imported from: oae.owl
imported from: uberon.owl
property chain axiom: has part
property chain axiom: develops_from

developmentally_induced_by
type: ObjectProperty
database_cross_reference: RO:0002256
shorthand: developmentally_induced_by
id: developmentally_induced_by
comment: sources for developmentally_induced_by relationships in Uberon: Developmental Biology, Gilbert, 8th edition, figure 6.5(F)
definition: t1 developmentally_induced_by t2 if there is a process of organ induction (GO:0001759) with t1 and t2 as interacting participants. t2 causes t1 to change its fate from a precursor tissue type T to T', where T' develops_from T.
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

developmentally preceded by
type: ObjectProperty
database_cross_reference: RO:0002258
shorthand: developmentally_preceded_by
id: developmentally_preceded_by
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

developmentally_replaces
type: ObjectProperty
database_cross_reference: RO:0002285
shorthand: developmentally_replaces
id: developmentally_replaces
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

mereotopologically related to
type: ObjectProperty
definition: A mereological relationship or a topological relationship
term editor: Chris Mungall
curator notes: Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships
temporal interpretation: RO_0001901
imported from: oae.owl
imported from: ro.owl

has member
type: ObjectProperty
database_cross_reference: RO:0002351
id: has_member
shorthand: has_member
has_obo_namespace: uberon
sub property of: has part
imported from: oae.owl
imported from: uberon.owl

attaches_to
type: ObjectProperty
has_alternative_id: FMA:85990
database_cross_reference: RO:0002371
shorthand: attaches_to
id: attaches_to
has_obo_namespace: uberon
sub property of: connects
sub property of: attaches_to_part_of
imported from: oae.owl
imported from: uberon.owl

has potential to developmentally contribute to
type: ObjectProperty
database_cross_reference: RO:0002385
shorthand: has_potential_to_developmentally_contribute_to
id: has_potential_to_developmentally_contribute_to
has_obo_namespace: uberon
definition: x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y
imported from: oae.owl
imported from: uberon.owl

has potential to develop into
type: ObjectProperty
database_cross_reference: RO:0002387
shorthand: has_potential_to_develop_into
id: has_potential_to_develop_into
has_obo_namespace: uberon
definition: x has the potential to develop into y iff x develops into y or if x is capable of developing into y
imported from: oae.owl
imported from: uberon.owl

contributes to morphology of
type: ObjectProperty
database_cross_reference: RO:0002433
shorthand: contributes_to_morphology_of
id: contributes_to_morphology_of
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

composed primarily of
type: ObjectProperty
database_cross_reference: RO:0002473
has_alternative_id: UBREL:0000002
shorthand: composed_primarily_of
id: composed_primarily_of
has_obo_namespace: uberon
definition: x composed_primarily_of y iff: more than half of the mass of x is made from parts of y
sub property of: has part
imported from: oae.owl
imported from: uberon.owl

existence starts during
type: ObjectProperty
has_alternative_id: BFO:0000068
database_cross_reference: RO:0002488
definition: Relation between continuant c and occurrent s, such that every instance of c comes into existing during some s.
has_exact_synonym: begins_to_exist_during
shorthand: existence_starts_during
id: existence_starts_during
has_obo_namespace: uberon
sub property of: existence starts during or after
imported from: oae.owl
imported from: uberon.owl
property chain axiom: part of

existence starts with
type: ObjectProperty
database_cross_reference: RO:0002489
definition: Relation between continuant and occurrent, such that c comes into existence at the start of p.
shorthand: existence_starts_with
id: existence_starts_with
has_obo_namespace: uberon
sub property of: existence starts during
imported from: oae.owl
imported from: uberon.owl

existence ends during
type: ObjectProperty
has_alternative_id: BFO:0000069
database_cross_reference: RO:0002492
definition: Relation between continuant c and occurrent s, such that every instance of c ceases to exist during some s, if it does not die prematurely.
has_exact_synonym: ceases_to_exist_during
shorthand: existence_ends_during
id: existence_ends_during
has_obo_namespace: uberon
sub property of: existence ends during or before
imported from: oae.owl
imported from: uberon.owl
property chain axiom: part of

existence ends with
type: ObjectProperty
database_cross_reference: RO:0002493
definition: Relation between continuant and occurrent, such that c ceases to exist at the end of p.
shorthand: existence_ends_with
id: existence_ends_with
has_obo_namespace: uberon
sub property of: existence ends during
imported from: oae.owl
imported from: uberon.owl

transformation of
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: RO:0002494
shorthand: transformation_of
id: transformation_of
has_exact_synonym: transforms from
has_obo_namespace: uberon
sub property of: develops_from
imported from: oae.owl
imported from: uberon.owl

immediate transformation of
type: ObjectProperty
database_cross_reference: RO:0002495
has_exact_synonym: direct_transformation_of
shorthand: immediate_transformation_of
id: immediate_transformation_of
has_exact_synonym: immediately transforms from
has_obo_namespace: uberon
sub property of: transformation of
imported from: oae.owl
imported from: uberon.owl

existence starts during or after
type: ObjectProperty
database_cross_reference: RO:0002496
shorthand: existence_starts_during_or_after
id: existence_starts_during_or_after
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl
property chain axiom: part of
property chain axiom: developmentally preceded by
property chain axiom: simultaneous_with
property chain axiom: preceded_by

existence ends during or before
type: ObjectProperty
database_cross_reference: RO:0002497
id: existence_ends_during_or_before
shorthand: existence_ends_during_or_before
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl
property chain axiom: part of
property chain axiom: precedes
property chain axiom: simultaneous_with

has material contribution from
type: ObjectProperty
type: TransitiveProperty
database_cross_reference: RO:0002507
shorthand: has_material_contribution_from
id: has_material_contribution_from
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl
property chain axiom: has part
property chain axiom: develops_from

has skeleton
type: ObjectProperty
definition: A relation between a subdivision of an organism and the single subdivision of skeleton that provides structural support for that subdivision.
database_cross_reference: RO:0002551
has_related_synonym: has sekeletal support
has_related_synonym: has supporting framework
id: has_skeleton
shorthand: has_skeleton
has_obo_namespace: uberon
sub property of: has part
inverse of: skeleton of
imported from: oae.owl
imported from: uberon.owl

luminal space of
type: ObjectProperty
database_cross_reference: RO:0002572
shorthand: luminal_space_of
id: luminal_space_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

skeleton of
type: ObjectProperty
database_cross_reference: RO:0002576
shorthand: skeleton_of
id: skeleton_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

produces
type: ObjectProperty
database_cross_reference: RO:0003000
id: produces
shorthand: produces
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

produced_by
type: ObjectProperty
database_cross_reference: RO:0003001
id: produced_by
shorthand: produced_by
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

has...channel tropism
type: ObjectProperty
label: 归...经 @zh
imported from: TCMDPO.owl
domain: Restriction
  on property: has...channel tropism
  some values from: TCMDPO_0000001
range: Restriction
  on property: has...channel tropism
  all values from: TCMDPO_0000062

has..nature
type: ObjectProperty
label: 具有...药性 @zh
imported from: TCMDPO.owl
range: Restriction
  on property: has..nature
  all values from: TCMDPO_0000063
domain: Restriction
  on property: has..nature
  some values from: TCMDPO_0000001

has...flavour
type: ObjectProperty
label: 具有...药味 @zh
imported from: TCMDPO.owl
range: Restriction
  on property: has...flavour
  all values from: TCMDPO_0000064
domain: Restriction
  on property: has...flavour
  some values from: TCMDPO_0000001

has...toxicity
type: ObjectProperty
label: 具有...毒性 @zh
imported from: TCMDPO.owl
domain: Restriction
  on property: has...toxicity
  some values from: TCMDPO_0000001
range: Restriction
  on property: has...toxicity
  all values from: TCMDPO_0000065

has part
type: ObjectProperty
type: TransitiveProperty
is cyclic: 0
database_cross_reference: BFO_0000051
has_obo_namespace: chebi_ontology
id: has_part
shorthand: has_part
imported from: chebi.owl

has functional parent
type: ObjectProperty
is cyclic: 0
is transitive: 0
has_obo_namespace: chebi_ontology
id: has_functional_parent
imported from: chebi.owl

has parent hydride
type: ObjectProperty
is cyclic: 0
is transitive: 0
has_obo_namespace: chebi_ontology
id: has_parent_hydride
imported from: chebi.owl

is conjugate acid of
type: ObjectProperty
is transitive: 0
is cyclic: 1
has_obo_namespace: chebi_ontology
id: is_conjugate_acid_of
imported from: chebi.owl

is conjugate base of
type: ObjectProperty
is transitive: 0
is cyclic: 1
has_obo_namespace: chebi_ontology
id: is_conjugate_base_of
imported from: chebi.owl

is enantiomer of
type: ObjectProperty
is transitive: 0
is cyclic: 1
has_obo_namespace: chebi_ontology
id: is_enantiomer_of
imported from: chebi.owl

is substituent group from
type: ObjectProperty
is cyclic: 0
is transitive: 0
has_obo_namespace: chebi_ontology
id: is_substituent_group_from
imported from: chebi.owl

is tautomer of
type: ObjectProperty
type: TransitiveProperty
is cyclic: 1
has_obo_namespace: chebi_ontology
id: is_tautomer_of
imported from: chebi.owl

channel for
type: ObjectProperty
has_broad_synonym: carries
id: channel_for
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

channels_from
type: ObjectProperty
type: TransitiveProperty
id: channels_from
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

channels_into
type: ObjectProperty
type: TransitiveProperty
id: channels_into
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

conduit for
type: ObjectProperty
id: conduit_for
has_obo_namespace: uberon
definition: x is a conduit for y iff y passes through the lumen of x.
imported from: oae.owl
imported from: uberon.owl

distally connected to
type: ObjectProperty
id: distally_connected_to
has_obo_namespace: uberon
definition: x distally_connected_to y iff the distal part of x is connected to y. i.e. x connected_to y and x proximal_to y.
sub property of: proximal_to
sub property of: connected to
imported from: oae.owl
imported from: uberon.owl
inverse of: proximally connected to
sub property of: transitively distally connected to

evolved_from
type: ObjectProperty
comment: Status: experimental
id: evolved_from
has_obo_namespace: uberon
sub property of: homologous_to
imported from: oae.owl
imported from: uberon.owl

existence starts and ends during
type: ObjectProperty
id: existence_starts_and_ends_during
has_obo_namespace: uberon
sub property of: existence starts during
sub property of: existence ends during
imported from: oae.owl
imported from: uberon.owl

in_central_side_of
type: ObjectProperty
definition: X in_central_side Y <=> if Y is subdivided into left and right portions around some median divisor, all parts of X are closer to the median divisor than the outermost lateral sides.
id: in_central_side_of
has_obo_namespace: uberon
sub property of: part of
imported from: oae.owl
imported from: uberon.owl

protects
type: ObjectProperty
id: protects
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

proximally connected to
type: ObjectProperty
id: proximally_connected_to
has_obo_namespace: uberon
definition: x proximally_connected_to y iff the proximal part of x is connected to y. i.e. x connected_to y and x distal_to y.
sub property of: distal_to
sub property of: connected to
imported from: oae.owl
imported from: uberon.owl
sub property of: transitively proximally connected to

subdivision of
type: ObjectProperty
comment: placeholder relation. X = 'subdivision of A' and subdivision_of some B means that X is the mereological sum of A and B
id: subdivision_of
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

transitively_connected to
type: ObjectProperty
type: TransitiveProperty
id: transitively_connected_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

transitively distally connected to
type: ObjectProperty
type: TransitiveProperty
definition: .
id: transitively_distally_connected_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

transitively proximally connected to
type: ObjectProperty
type: TransitiveProperty
definition: .
id: transitively_proximally_connected_to
has_obo_namespace: uberon
imported from: oae.owl
imported from: uberon.owl

has_proper_part
type: ObjectProperty
type: TransitiveProperty
imported from: http://purl.org/obo/owl/relationship
has alternative id: OBO_REL:0000007
has OBO namespace: relationship
imported from: dron.owl
sub property of: topObjectProperty

entity
type: Class
BFO OWL specification label: entity
editor note: BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81
BFO CLIF specification label: Entity
elucidation: An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])
editor note: Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf
example of usage: Julius Caesar
example of usage: Verdi’s Requiem
example of usage: the Second World War
example of usage: your body mass index
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl
imported from: ogms.owl

continuant
type: Class
subclass of: entity
BFO OWL specification label: continuant
BFO CLIF specification label: Continuant
has associated axiom(fol): (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]
has associated axiom(fol): (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]
has associated axiom(fol): (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]
has associated axiom(fol): (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]
elucidation: A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])
definition: An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts.
editor note: BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240
editor note: Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants
has associated axiom(nl): if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])
has associated axiom(nl): if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])
has associated axiom(nl): if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl
imported from: ro.owl

occurrent
type: Class
subclass of: entity
has associated axiom(fol): (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]
editor note: Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame.
has associated axiom(fol): (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]
definition: An entity that has temporal parts and that happens, unfolds or develops through time.
elucidation: An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])
editor note: BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region
editor note: BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players.
BFO CLIF specification label: Occurrent
BFO OWL specification label: occurrent
has associated axiom(nl): Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])
editor note: Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process.
has associated axiom(nl): b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl
imported from: ro.owl

independent continuant
type: Class
subclass of: continuant
BFO CLIF specification label: IndependentContinuant
has associated axiom(fol): (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002]
has associated axiom(fol): (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]
has associated axiom(fol): (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]
definition: A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
has associated axiom(nl): For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])
has associated axiom(nl): For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])
example of usage: a heart
BFO OWL specification label: ic
example of usage: a chair
example of usage: a leg
example of usage: a molecule
example of usage: a spatial region
example of usage: an atom
example of usage: an orchestra.
example of usage: an organism
definition: b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])
example of usage: the bottom right portion of a human torso
example of usage: the interior of your mouth
imported from: bfo.owl
imported from: oae.owl
imported from: obi.owl
imported from: ro.owl

process
type: Class
subclass of: occurrent
BFO CLIF specification label: Process
has associated axiom(fol): (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003]
definition: An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
editor note: BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)
example of usage: a process of cell-division, \ a beating of the heart
example of usage: a process of meiosis
example of usage: a process of sleeping
definition: p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])
BFO OWL specification label: process
example of usage: the course of a disease
example of usage: the flight of a bird
example of usage: the life of an organism
example of usage: your process of aging.
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: ro.owl

disposition
type: Class
subclass of: realizable entity
has associated axiom(fol): (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]
editor note: BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type.
BFO CLIF specification label: Disposition
has associated axiom(fol): (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002]
BFO OWL specification label: disposition
has associated axiom(nl): If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])
example of usage: an atom of element X has the disposition to decay to an atom of element Y
elucidation: b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])
example of usage: certain people have a predisposition to colon cancer
example of usage: children are innately disposed to categorize objects in certain ways.
example of usage: the cell wall is disposed to filter chemicals in endocytosis and exocytosis
imported from: bfo.owl
imported from: oae.owl

realizable entity
type: Class
subclass of: specifically dependent continuant
has associated axiom(fol): (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002]
has associated axiom(fol): (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002]
definition: A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances.
has associated axiom(nl): All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])
BFO CLIF specification label: RealizableEntity
elucidation: To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])
BFO OWL specification label: realizable
example of usage: the disposition of this piece of metal to conduct electricity.
example of usage: the disposition of your blood to coagulate
example of usage: the function of your reproductive organs
example of usage: the role of being a doctor
example of usage: the role of this boundary to delineate where Utah and Colorado meet
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl
imported from: ro.owl

quality
type: Class
subclass of: specifically dependent continuant
has associated axiom(fol): (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001]
BFO OWL specification label: quality
BFO CLIF specification label: Quality
has associated axiom(fol): (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001]
has associated axiom(nl): If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])
elucidation: a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])
example of usage: the ambient temperature of this portion of air
example of usage: the color of a tomato
example of usage: the length of the circumference of your waist
example of usage: the mass of this piece of gold.
example of usage: the shape of your nose
example of usage: the shape of your nostril
imported from: bfo.owl
imported from: oae.owl
imported from: ro.owl

specifically dependent continuant
type: Class
subclass of: continuant
has associated axiom(fol): (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003]
has associated axiom(fol): (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004]
BFO CLIF specification label: SpecificallyDependentContinuant
definition: A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
example of usage: Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key
editor note: Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc.
definition: b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])
definition: b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])
example of usage: of one-sided specifically dependent continuants: the mass of this tomato
example of usage: of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates.
BFO OWL specification label: sdc
example of usage: the disposition of this fish to decay
example of usage: the function of this heart: to pump blood
example of usage: the mutual dependence of proton donors and acceptors in chemical reactions [79
example of usage: the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction
example of usage: the pink color of a medium rare piece of grilled filet mignon at its center
example of usage: the role of being a doctor
example of usage: the shape of this hole.
example of usage: the smell of this portion of mozzarella
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl
imported from: ro.owl

role
type: Class
subclass of: realizable entity
definition: A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts.
BFO CLIF specification label: Role
BFO OWL specification label: role
has associated axiom(fol): (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001]
editor note: BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives.
example of usage: John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married.
elucidation: b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])
example of usage: the priest role
example of usage: the role of a boundary to demarcate two neighboring administrative territories
example of usage: the role of a building in serving as a military target
example of usage: the role of a stone in marking a property boundary
example of usage: the role of subject in a clinical trial
example of usage: the student role
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl
imported from: ro.owl

object aggregate
type: Class
subclass of: material entity
BFO CLIF specification label: ObjectAggregate
editor note: An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects
editor note: BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee).
definition source: ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158.
has associated axiom(fol): (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004]
example of usage: a collection of cells in a blood biobank.
example of usage: a swarm of bees is an aggregate of members who are linked together through natural bonds
example of usage: a symphony orchestra
example of usage: defined by fiat: the aggregate of members of an organization
example of usage: defined through physical attachment: the aggregate of atoms in a lump of granite
BFO OWL specification label: object-aggregate
example of usage: an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)
elucidation: b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])
example of usage: defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container
example of usage: defined via attributive delimitations such as: the patients in this hospital
example of usage: the aggregate of bearings in a constant velocity axle joint
example of usage: the aggregate of blood cells in your body
example of usage: the nitrogen atoms in the atmosphere
example of usage: the restaurants in Palo Alto
example of usage: your collection of Meissen ceramic plates.
imported from: dron.owl

site
type: Class
subclass of: immaterial entity
has associated axiom(fol): (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002]
example of usage: Manhattan Canyon)
BFO OWL specification label: site
BFO CLIF specification label: Site
example of usage: a hole in the interior of a portion of cheese
example of usage: a rabbit hole
example of usage: an air traffic control region defined in the airspace above an airport
elucidation: b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])
example of usage: the Grand Canyon
example of usage: the Piazza San Marco
example of usage: the cockpit of an aircraft
example of usage: the hold of a ship
example of usage: the interior of a kangaroo pouch
example of usage: the interior of the trunk of your car
example of usage: the interior of your bedroom
example of usage: the interior of your office
example of usage: the interior of your refrigerator
example of usage: the lumen of your gut
example of usage: your left nostril (a fiat part – the opening – of your left nasal cavity)
imported from: bfo.owl
imported from: oae.owl

object
type: Class
subclass of: material entity
BFO OWL specification label: object
BFO CLIF specification label: Object
editor note: BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting.
editor note: BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below).
editor note: BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47
editor note: BFO 2 Reference: an object is a maximal causally unified material entity
editor note: BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74
example of usage: atom
elucidation: b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])
example of usage: cell
example of usage: cells and organisms
example of usage: engineered artifacts
example of usage: grain of sand
example of usage: molecule
example of usage: organelle
example of usage: organism
example of usage: planet
example of usage: solid portions of matter
example of usage: star
imported from: dron.owl

generically dependent continuant
type: Class
subclass of: continuant
has associated axiom(fol): (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]
BFO CLIF specification label: GenericallyDependentContinuant
BFO OWL specification label: gdc
example of usage: The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity.
definition: b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])
example of usage: the pdf file on your laptop, the pdf file that is a copy thereof on my laptop
example of usage: the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule.
imported from: dron.owl

material entity
type: Class
subclass of: independent continuant
BFO OWL specification label: material
has associated axiom(fol): (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]
has associated axiom(fol): (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002]
has associated axiom(fol): (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002]
elucidation: A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])
editor note: BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60
editor note: BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity.
editor note: BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here.
has associated axiom(nl): Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])
BFO CLIF specification label: MaterialEntity
example of usage: a flame
example of usage: a forest fire
example of usage: a human being
example of usage: a hurricane
example of usage: a photon
example of usage: a puff of smoke
example of usage: a sea wave
example of usage: a tornado
example of usage: an aggregate of human beings.
example of usage: an energy wave
example of usage: an epidemic
has associated axiom(nl): every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])
example of usage: the undetached arm of a human being
imported from: bfo.owl
imported from: dron.owl
imported from: oae.owl
imported from: obi.owl

immaterial entity
type: Class
subclass of: independent continuant
BFO OWL specification label: immaterial
editor note: BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10
BFO CLIF specification label: ImmaterialEntity
imported from: bfo.owl
imported from: oae.owl

Vomicine
type: Class
subclass of: carbazoles
has_related_synonym: 380.438
definition: A carbazole that has formula C22H24N2O4.
has_related_synonym: C22H24N2O4
database_cross_reference: CAS:125-15-5
id: CHEBI:10019
has_related_synonym: InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1
database_cross_reference: KEGG:C09255
database_cross_reference: KNApSAcK:C00001788
has_exact_synonym: Vomicine
has_related_synonym: ZMTYENXGROJCEA-LNKPQSDASA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Wilfordine
type: Class
subclass of: sesquiterpenoid
has_related_synonym: 883.846
definition: A sesquiterpenoid that has formula C43H49NO19.
has_related_synonym: C43H49NO19
database_cross_reference: CAS:37239-51-3
id: CHEBI:10039
has_related_synonym: InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1
database_cross_reference: KEGG:C09992
database_cross_reference: KNApSAcK:C00001987
has_exact_synonym: Wilfordine
has_related_synonym: XQDBHSNYTFRCNJ-OURLNJDISA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-amyrin
type: Class
subclass of: pentacyclic triterpenoid
subclass of: secondary alcohol
subclass of: Restriction
  on property: has parent hydride
  some values from: ursane
has_exact_synonym: (3beta)-urs-12-en-3-ol
has_related_synonym: 426.71740
has_related_synonym: 5alpha-urs-12-en-3beta-ol
definition: A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group.
has_related_synonym: C30H50O
database_cross_reference: CAS:638-95-9
id: CHEBI:10213
has_related_synonym: FSLPMRQHCOLESF-SFMCKYFRSA-N
has_related_synonym: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
database_cross_reference: KEGG:C08615
database_cross_reference: KNApSAcK:C00003737
database_cross_reference: LIPID_MAPS_instance:LMPR0106170001
database_cross_reference: MetaCyc:CPD-8250
database_cross_reference: PMID:10848960
database_cross_reference: PMID:15626726
database_cross_reference: PMID:15659316
database_cross_reference: PMID:18129592
database_cross_reference: PMID:19488928
database_cross_reference: PMID:21575133
database_cross_reference: Reaxys:1916550
has_exact_synonym: alpha-Amyrin
has_related_synonym: alpha-amyrenol
has_exact_synonym: alpha-amyrin
has_related_synonym: alpha-amyrine
has_obo_namespace: chebi_ontology
has_related_synonym: urs-12-ene-3beta-ol
has_related_synonym: viminalol
imported from: chebi.owl

alpha-Elemolic acid
type: Class
subclass of: triterpenoid
has_related_synonym: 456.701
definition: A triterpenoid that has formula C30H48O3.
has_related_synonym: C30H48O3
database_cross_reference: CAS:28282-27-1
id: CHEBI:10274
has_related_synonym: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
database_cross_reference: KEGG:C08623
database_cross_reference: KNApSAcK:C00003744
has_related_synonym: NBSBUIQBEPROBM-IMJUUJEHSA-N
has_exact_synonym: alpha-Elemolic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-amyrin
type: Class
subclass of: pentacyclic triterpenoid
subclass of: secondary alcohol
subclass of: Restriction
  on property: has role
  some values from: Aspergillus metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: oleanane
has_related_synonym: (3beta)-olean-12-en-3-ol
has_related_synonym: 3beta-hydroxyolean-12-ene
has_related_synonym: 426.71740
definition: A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants.
has_related_synonym: C30H50O
database_cross_reference: CAS:559-70-6
id: CHEBI:10352
has_related_synonym: InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
has_related_synonym: JFSHUTJDVKUMTJ-QHPUVITPSA-N
database_cross_reference: KEGG:C08616
database_cross_reference: KNApSAcK:C00003738
database_cross_reference: LIPID_MAPS_instance:LMPR0106150015
database_cross_reference: MetaCyc:CPD-6948
database_cross_reference: PMID:16478469
database_cross_reference: PMID:17803686
database_cross_reference: PMID:21046981
database_cross_reference: PMID:24079177
database_cross_reference: PMID:24960408
database_cross_reference: PMID:25026352
database_cross_reference: PMID:25115087
database_cross_reference: PMID:5639923
database_cross_reference: PMID:6875511
database_cross_reference: Reaxys:2063468
has_related_synonym: amyrin
has_related_synonym: beta-Amyrenol
has_exact_synonym: beta-Amyrin
has_exact_synonym: beta-amyrin
has_obo_namespace: chebi_ontology
has_exact_synonym: olean-12-en-3beta-ol
imported from: chebi.owl

electron
type: Class
subclass of: lepton
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 0.000548579903
id: CHEBI:10545
definition: Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV.
database_cross_reference: KEGG:C05359
database_cross_reference: PMID:21614077
has_related_synonym: [*-]
has_related_synonym: beta
has_related_synonym: beta(-)
has_related_synonym: beta-particle
has_obo_namespace: chebi_ontology
has_related_synonym: e
has_related_synonym: e(-)
has_related_synonym: e-
has_exact_synonym: electron
has_related_synonym: negatron
imported from: chebi.owl

(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
type: Class
subclass of: oxo steroid
has_related_synonym: 312.404
definition: An oxo steroid that has formula C20H24O3.
has_related_synonym: C20H24O3
id: CHEBI:114185
has_related_synonym: InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1
has_related_synonym: KPXIBWGPZSPABK-FXAWDEMLSA-N
database_cross_reference: LINCS:LSM-25629
has_obo_namespace: chebi_ontology
imported from: chebi.owl

vitamin A
type: Class
subclass of: retinoid
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinal
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinol
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinoic acid
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: fat-soluble vitamin
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinyl ester
definition: A group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.
id: CHEBI:12777
database_cross_reference: Wikipedia:Vitamin_A
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-galactose
type: Class
subclass of: D-aldohexose
subclass of: galactose
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 180.15588
has_related_synonym: C6H12O6
id: CHEBI:12936
has_related_synonym: D-Gal
has_exact_synonym: D-galacto-hexose
has_exact_synonym: D-galactose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Mycoplasma genitalium metabolite
type: Class
subclass of: bacterial metabolite
definition: Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
id: CHEBI:131604
has_related_synonym: Mycoplasma genitalium metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

C27-steroid
type: Class
subclass of: steroid
subclass of: Restriction
  on property: has parent hydride
  some values from: cholestane
definition: A steroid compound with a structure based on a 27-carbon (cholestane) skeleton.
has_related_synonym: C27-steroids
id: CHEBI:131619
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
type: Class
subclass of: DNA polymerase inhibitor
definition: A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7).
id: CHEBI:131699
has_related_synonym: DNA duplicase inhibitor
has_related_synonym: DNA duplicase inhibitors
has_related_synonym: DNA nucleotidyltransferase (DNA-directed) inhibitor
has_related_synonym: DNA nucleotidyltransferase (DNA-directed) inhibitors
has_related_synonym: DNA nucleotidyltransferase inhibitor
has_related_synonym: DNA nucleotidyltransferase inhibitors
has_related_synonym: DNA polymerase I inhibitor
has_related_synonym: DNA polymerase I inhibitors
has_related_synonym: DNA polymerase II inhibitor
has_related_synonym: DNA polymerase II inhibitors
has_related_synonym: DNA polymerase III inhibitor
has_related_synonym: DNA polymerase III inhibitors
has_related_synonym: DNA polymerase alpha inhibitor
has_related_synonym: DNA polymerase alpha inhibitors
has_related_synonym: DNA polymerase beta inhibitor
has_related_synonym: DNA polymerase beta inhibitors
has_related_synonym: DNA polymerase gamma inhibitor
has_related_synonym: DNA polymerase gamma inhibitors
has_related_synonym: DNA polymerase inhibitor
has_related_synonym: DNA polymerase inhibitors
has_related_synonym: DNA replicase inhibitor
has_related_synonym: DNA replicase inhibitors
has_related_synonym: DNA-dependent DNA polymerase inhibitor
has_related_synonym: DNA-dependent DNA polymerase inhibitors
has_related_synonym: DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor
has_related_synonym: DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors
has_related_synonym: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors
has_related_synonym: EC 2.7.7.7 inhibitor
has_related_synonym: EC 2.7.7.7 inhibitors
has_related_synonym: Klenow fragment inhibitor
has_related_synonym: Klenow fragment inhibitors
has_related_synonym: Taq DNA polymerase inhibitor
has_related_synonym: Taq DNA polymerase inhibitors
has_related_synonym: Taq Pol I inhibitor
has_related_synonym: Taq Pol I inhibitors
has_related_synonym: Tca DNA polymerase inhibitor
has_related_synonym: Tca DNA polymerase inhibitors
database_cross_reference: Wikipedia:DNA_polymerase
has_obo_namespace: chebi_ontology
has_related_synonym: deoxynucleate polymerase inhibitor
has_related_synonym: deoxynucleate polymerase inhibitors
has_related_synonym: deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor
has_related_synonym: deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors
has_related_synonym: deoxyribonucleate nucleotidyltransferase inhibitor
has_related_synonym: deoxyribonucleate nucleotidyltransferase inhibitors
has_related_synonym: deoxyribonucleic acid duplicase inhibitor
has_related_synonym: deoxyribonucleic acid duplicase inhibitors
has_related_synonym: deoxyribonucleic acid polymerase inhibitor
has_related_synonym: deoxyribonucleic acid polymerase inhibitors
has_related_synonym: deoxyribonucleic duplicase inhibitor
has_related_synonym: deoxyribonucleic duplicase inhibitors
has_related_synonym: deoxyribonucleic polymerase I inhibitor
has_related_synonym: deoxyribonucleic polymerase I inhibitors
has_related_synonym: deoxyribonucleic polymerase inhibitor
has_related_synonym: deoxyribonucleic polymerase inhibitors
has_related_synonym: duplicase inhibitor
has_related_synonym: duplicase inhibitors
has_related_synonym: sequenase inhibitor
has_related_synonym: sequenase inhibitors
imported from: chebi.owl

stigmastane derivative
type: Class
subclass of: steroid
subclass of: Restriction
  on property: has parent hydride
  some values from: stigmastane
definition: Any steroid (or derivative) based on a stigmastane skeleton.
id: CHEBI:131702
has_obo_namespace: chebi_ontology
has_related_synonym: stigmastane derivatives
imported from: chebi.owl

stigmastane sterol
type: Class
subclass of: stigmastane derivative
subclass of: sterol
definition: Any sterol based on a stigmastane skeleton.
id: CHEBI:131703
has_obo_namespace: chebi_ontology
has_related_synonym: stigmastane sterols
imported from: chebi.owl

hydroxy monounsaturated fatty acid
type: Class
subclass of: hydroxy fatty acid
subclass of: monounsaturated fatty acid
definition: Any monounsaturated fatty acid carrying one or more hydroxy substituents.
id: CHEBI:131869
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy MUFA
has_related_synonym: hydroxy monounsaturated fatty acids
imported from: chebi.owl

pyranopyran
type: Class
subclass of: organic heterobicyclic compound
subclass of: organic oxo compound
definition: Any organic heterobicyclic compound containing two ortho-fused pyran rings.
id: CHEBI:131900
has_obo_namespace: chebi_ontology
has_related_synonym: pyranopyrans
imported from: chebi.owl

pyranopyranone
type: Class
subclass of: pyranopyran
definition: A pyranopyran in which at least one of the pyran rings in the pyranopyran skeleton is substituted by an oxo group.
id: CHEBI:131901
has_obo_namespace: chebi_ontology
has_related_synonym: pyranopyranones
imported from: chebi.owl

4-pyranones
type: Class
subclass of: pyranone
subclass of: cyclic ketone
id: CHEBI:131906
has_obo_namespace: chebi_ontology
has_related_synonym: pyran-4-ones
imported from: chebi.owl

dicarboxylic acids and O-substituted derivatives
type: Class
subclass of: carbonyl compound
definition: A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens.
id: CHEBI:131927
has_obo_namespace: chebi_ontology
has_related_synonym: dicarboxylic acids and derivatives
imported from: chebi.owl

long-chain fatty acid ethyl ester
type: Class
subclass of: fatty acid ethyl ester
subclass of: Restriction
  on property: has functional parent
  some values from: long-chain fatty acid
has_related_synonym: 73.07060
definition: A fatty acid ethyl ester resulting from the formal condensation of the carboxy group of a long-chain fatty acid with the hydroxy group of ethanol.
has_related_synonym: C3H5O2R
has_related_synonym: CCOC([*])=O
id: CHEBI:13209
has_related_synonym: a long-chain fatty acyl ethyl ester
has_obo_namespace: chebi_ontology
has_related_synonym: long-chain fatty acid ethyl esters
has_related_synonym: long-chain fatty acyl ethyl ester
has_related_synonym: long-chain fatty acyl ethyl esters
imported from: chebi.owl

wilforine
type: Class
subclass of: pyridine alkaloid
subclass of: benzoate ester
subclass of: organic heteropentacyclic compound
subclass of: acetate ester
subclass of: macrocyclic lactone
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: phytogenic insecticide
has_exact_synonym: (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0(1,21).0(3,24).0(7,12)]hexacosa-7,9,11-trien-19-yl benzoate
has_related_synonym: 867.847
definition: An organic heteropentacyclic compound and pyridine alkaloid with formula C43H49NO18 originally isolated from the roots of Tripterygium wilfordii.
has_related_synonym: C43H49NO18
database_cross_reference: CAS:11088-09-8
database_cross_reference: CBA:350230
database_cross_reference: CBA:353089
database_cross_reference: CBA:642181
id: CHEBI:132150
has_related_synonym: InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1
database_cross_reference: PMID:11738408
database_cross_reference: PMID:18976997
database_cross_reference: PMID:21982911
database_cross_reference: PMID:24651642
database_cross_reference: PMID:25425175
database_cross_reference: PMID:25958670
database_cross_reference: PMID:4712613
has_related_synonym: ZOCKGJZEUVPPPI-QSNSFFMXSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptofordin C 2
type: Class
subclass of: tertiary alcohol
subclass of: organic heterotricyclic compound
subclass of: bridged compound
subclass of: benzoate ester
subclass of: oxacycle
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: antiviral agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (-)-Triptofordin C 2
has_exact_synonym: (3R,4S,5R,5aS,6R,7S,9R,9aS,10R)-6,10-bis(acetyloxy)-7,9-dihydroxy-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine-4,5-diyl dibenzoate
has_related_synonym: 610.649
definition: A dihydroagarofuran sesquiterpenoid that is isolated from Tripterygium wilfordii.
has_related_synonym: C-2 Triptofordin
has_related_synonym: C33H38O11
database_cross_reference: CAS:111514-63-7
id: CHEBI:132152
has_related_synonym: FOIOSVGAFMLLDU-UDIRGPGZSA-N
has_related_synonym: InChI=1S/C33H38O11/c1-18(34)40-25-22(36)17-31(5,39)33-26(41-19(2)35)23(30(3,4)44-33)24(42-28(37)20-13-9-7-10-14-20)27(32(25,33)6)43-29(38)21-15-11-8-12-16-21/h7-16,22-27,36,39H,17H2,1-6H3/t22-,23+,24-,25-,26+,27-,31+,32-,33-/m0/s1
database_cross_reference: KNApSAcK:C00013134
database_cross_reference: PMID:8722541
database_cross_reference: Reaxys:6553794
database_cross_reference: Wikipedia:Triptofordin_C-2
has_obo_namespace: chebi_ontology
has_related_synonym: triptofordin C-2
imported from: chebi.owl

celacinnine
type: Class
subclass of: lactam
subclass of: spermidine alkaloid
subclass of: enamide
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (-)-celacinnine
has_exact_synonym: (2S)-2-phenyl-9-[(2E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
has_related_synonym: (S)-(-)-celacinnine
has_related_synonym: (S)-celacinnine
has_related_synonym: 405.533
definition: A spermidine alkaloid that is isolated from Maytenus heterophylla and Maytenus senegalensis.
has_related_synonym: C1C(NCCCN(CCCCN[C@@H]1C=2C=CC=CC2)C(/C=C/C=3C=CC=CC3)=O)=O
has_related_synonym: C25H31N3O2
database_cross_reference: CAS:53938-05-9
id: CHEBI:132186
has_related_synonym: InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1
has_related_synonym: OROFOUPCOTVAJQ-NSFRLNINSA-N
database_cross_reference: PMID:22470236
database_cross_reference: PMID:26487315
database_cross_reference: Reaxys:4720682
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptonide
type: Class
subclass of: diterpene triepoxide
subclass of: cyclic ketone
subclass of: butenolide
subclass of: organic heteroheptacyclic compound
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: immunosuppressive agent
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
has_related_synonym: (-)-triptonide
has_exact_synonym: (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-3b,4,4a,7a,7b,8b,9,10-octahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione
has_related_synonym: 358.386
definition: A diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii.
has_related_synonym: C20H22O6
database_cross_reference: CBA:292103
id: CHEBI:132267
has_related_synonym: InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1
database_cross_reference: PMID:10774048
database_cross_reference: PMID:12903464
database_cross_reference: PMID:24346247
database_cross_reference: PMID:25296383
database_cross_reference: PMID:25308753
database_cross_reference: PMID:5072337
database_cross_reference: PMID:8237400
database_cross_reference: PMID:9863222
database_cross_reference: Reaxys:5313008
has_related_synonym: SWOVVKGLGOOUKI-ZHGGVEMFSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Demethylzeylasteral
type: Class
subclass of: organic molecular entity
id: CHEBI:132314
database_cross_reference: Pubchem:10322911
has_obo_namespace: chebi_ontology
definition: pubchem.ncbi.nlm.nih.gov/compound/10322911
imported from: chebi.owl

Triptohypol A
type: Class
subclass of: organic molecular entity
id: CHEBI:132315
database_cross_reference: Pubchem:101936043
has_obo_namespace: chebi_ontology
definition: pubchem.ncbi.nlm.nih.gov/compound/101936043
imported from: chebi.owl

triptolidenol
type: Class
subclass of: epoxide
subclass of: secondary alcohol
subclass of: gamma-lactone
subclass of: tetracyclic diterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-6a-(2-hydroxypropan-2-yl)-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one
has_related_synonym: 15-Hydroxytriptolide
has_related_synonym: 376.401
definition: A tetracyclic diterpenoid that is isolated from Tripterygium wilfordii and exhibits anti-inflammatory properties.
has_related_synonym: APBNDXHFQWSYOS-KSYZUNFVSA-N
has_related_synonym: C20H24O7
database_cross_reference: CAS:99694-86-7
id: CHEBI:132333
has_related_synonym: InChI=1S/C20H24O7/c1-16(2,23)19-12(26-19)13-20(27-13)17(3)5-4-8-9(7-24-14(8)21)10(17)6-11-18(20,25-11)15(19)22/h10-13,15,22-23H,4-7H2,1-3H3/t10-,11-,12-,13-,15-,17-,18+,19-,20+/m0/s1
database_cross_reference: Reaxys:9526173
database_cross_reference: Wikipedia:Triptolidenol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Wilforgine
type: Class
subclass of: organic molecular entity
id: CHEBI:132334
database_cross_reference: Pubchem:124030
has_obo_namespace: chebi_ontology
definition: pubchem.ncbi.nlm.nih.gov/compound/124030
imported from: chebi.owl

triptriolide
type: Class
subclass of: organic molecular entity
id: CHEBI:132336
database_cross_reference: Pubchem:58636974
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/58636974
imported from: chebi.owl

triptoditerpenic acid B
type: Class
subclass of: organic molecular entity
id: CHEBI:132337
has_related_synonym: NSC672174
database_cross_reference: Pubchem:192372
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/192372
imported from: chebi.owl

triptohypol B
type: Class
subclass of: monocarboxylic acid
subclass of: pentacyclic triterpenoid
subclass of: phenols
subclass of: aromatic ether
subclass of: cyclic terpene ketone
subclass of: enone
has_exact_synonym: (2R,4aS,6aS,12bR,14aS,14bR)-11-hydroxy-10-methoxy-2,4a,6a,9,12b,14a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
has_related_synonym: 480.637
has_related_synonym: C30H40O5
id: CHEBI:132338
has_related_synonym: InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)35-7)28(4)11-13-30(6)22-16-27(3,25(33)34)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32H,8-13,16H2,1-7H3,(H,33,34)/t22-,26-,27-,28+,29-,30+/m1/s1
has_related_synonym: KFGGKCFEQGLWFO-NLVUKCNFSA-N
database_cross_reference: PMID:12165306
database_cross_reference: Pubchem:101936044
has_obo_namespace: chebi_ontology
definition: http://pubchem.ncbi.nlm.nih.gov/compound/101936044
imported from: chebi.owl

triptohypol D
type: Class
subclass of: organic molecular entity
id: CHEBI:132339
database_cross_reference: Pubchem:101062653
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101062653
imported from: chebi.owl

triptohypol C
type: Class
subclass of: organic molecular entity
id: CHEBI:132340
database_cross_reference: Pubchem:10411574
has_obo_namespace: chebi_ontology
has_related_synonym: dihydrocelastrol
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10411574
imported from: chebi.owl

hypodiol
type: Class
subclass of: organic molecular entity
id: CHEBI:132341
database_cross_reference: Pubchem:101936045
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101936045
imported from: chebi.owl

triptohypol E
type: Class
subclass of: organic molecular entity
id: CHEBI:132342
database_cross_reference: Pubchem:44559123
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/44559123
imported from: chebi.owl

Triptohypol F
type: Class
subclass of: organic molecular entity
id: CHEBI:132343
database_cross_reference: Pubchem:91895434
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/91895434
imported from: chebi.owl

celastolide
type: Class
subclass of: organic molecular entity
id: CHEBI:132344
database_cross_reference: Pubchem:101936042
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101936042
imported from: chebi.owl

Canophyllal
type: Class
subclass of: organic molecular entity
id: CHEBI:132345
database_cross_reference: Pubchem:586214
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/586214
imported from: chebi.owl

neotriptophenolide
type: Class
subclass of: organic molecular entity
has_related_synonym: (3br,9bs)-9-hydroxy-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3h)-one Vendors Literature
id: CHEBI:132346
database_cross_reference: Pubchem:133766
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/133766
imported from: chebi.owl

triptonolide
type: Class
subclass of: organic molecular entity
id: CHEBI:132347
database_cross_reference: Pubchem:133221
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/133221
imported from: chebi.owl

triptonoterpene
type: Class
subclass of: phenols
subclass of: abietane diterpenoid
subclass of: carbotricyclic compound
subclass of: cyclic ketone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 14-hydroxyabieta-8(14),9(11),12-trien-3-one
has_related_synonym: 300.436
definition: An abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3 and 14 respectively by oxo and hydroxy groups. It is found in Tripterygium wilfordii.
has_related_synonym: C20H28O2
database_cross_reference: CAS:99694-87-8
id: CHEBI:132348
has_related_synonym: InChI=1S/C20H28O2/c1-12(2)13-6-8-15-14(18(13)22)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h6,8,12,16,22H,7,9-11H2,1-5H3/t16-,20+/m0/s1
database_cross_reference: KNApSAcK:C00035772
database_cross_reference: PMID:17265278
database_cross_reference: PMID:25237706
database_cross_reference: Reaxys:7432793
has_related_synonym: WENIWZBFJBCNNG-OXJNMPFZSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptobenzene A
type: Class
subclass of: organic molecular entity
id: CHEBI:132349
database_cross_reference: Pubchem:15762008
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/15762008
imported from: chebi.owl

triptobenzene D
type: Class
subclass of: organic molecular entity
id: CHEBI:132350
database_cross_reference: Pubchem:101712250
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101712250
imported from: chebi.owl

Triptobenzene H
type: Class
subclass of: organic molecular entity
id: CHEBI:132351
database_cross_reference: Pubchem:53363843
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/53363843
imported from: chebi.owl

triptoquinone A
type: Class
subclass of: organic molecular entity
id: CHEBI:132352
database_cross_reference: Pubchem:132524
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/132524
imported from: chebi.owl

triptoquinone B
type: Class
subclass of: organic molecular entity
id: CHEBI:132353
database_cross_reference: Pubchem:11724191
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/11724191
imported from: chebi.owl

triptoquinone H
type: Class
subclass of: organic molecular entity
id: CHEBI:132354
database_cross_reference: Pubchem:101062652
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101062652
imported from: chebi.owl

EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor
type: Class
subclass of: EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
definition: An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of procollagen-proline dioxygenase (EC 1.14.11.2).
id: CHEBI:132365
has_related_synonym: EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitors
has_related_synonym: EC 1.14.11.2 inhibitor
has_related_synonym: EC 1.14.11.2 inhibitors
database_cross_reference: Wikipedia:Procollagen-proline_dioxygenase
has_obo_namespace: chebi_ontology
has_related_synonym: collagen proline hydroxylase inhibitor
has_related_synonym: collagen proline hydroxylase inhibitors
has_related_synonym: hydroxylase, collagen proline inhibitor
has_related_synonym: hydroxylase, collagen proline inhibitors
has_related_synonym: peptidyl proline hydroxylase inhibitor
has_related_synonym: peptidyl proline hydroxylase inhibitors
has_related_synonym: procollagen-L-proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitor
has_related_synonym: procollagen-L-proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitors
has_related_synonym: procollagen-proline 4-dioxygenase inhibitor
has_related_synonym: procollagen-proline 4-dioxygenase inhibitors
has_related_synonym: procollagen-proline dioxygenase (EC 1.14.11.2) inhibitor
has_related_synonym: procollagen-proline dioxygenase (EC 1.14.11.2) inhibitors
has_related_synonym: procollagen-proline dioxygenase inhibitor
has_related_synonym: procollagen-proline dioxygenase inhibitors
has_related_synonym: procollagen-proline,2-oxoglutarate-4-dioxygenase inhibitor
has_related_synonym: procollagen-proline,2-oxoglutarate-4-dioxygenase inhibitors
has_related_synonym: proline hydroxylase inhibitor
has_related_synonym: proline hydroxylase inhibitors
has_related_synonym: proline protocollagen hydroxylase inhibitor
has_related_synonym: proline protocollagen hydroxylase inhibitors
has_related_synonym: proline, 2-oxoglutarate dioxygenase inhibitor
has_related_synonym: proline, 2-oxoglutarate dioxygenase inhibitors
has_related_synonym: proline,2-oxoglutarate 4-dioxygenase inhibitor
has_related_synonym: proline,2-oxoglutarate 4-dioxygenase inhibitors
has_related_synonym: prolyl 4-hydroxylase inhibitor
has_related_synonym: prolyl 4-hydroxylase inhibitors
has_related_synonym: prolyl hydroxylase inhibitor
has_related_synonym: prolyl hydroxylase inhibitors
has_related_synonym: prolyl-glycyl-peptide, 2-oxoglutarate:oxygen oxidoreductase, 4-hydroxylating inhibitor
has_related_synonym: prolyl-glycyl-peptide, 2-oxoglutarate:oxygen oxidoreductase, 4-hydroxylating inhibitors
has_related_synonym: prolylprotocollagen dioxygenase inhibitor
has_related_synonym: prolylprotocollagen dioxygenase inhibitors
has_related_synonym: prolylprotocollagen hydroxylase inhibitor
has_related_synonym: prolylprotocollagen hydroxylase inhibitors
has_related_synonym: protocollagen hydroxylase inhibitor
has_related_synonym: protocollagen hydroxylase inhibitors
has_related_synonym: protocollagen proline 4-hydroxylase inhibitor
has_related_synonym: protocollagen proline 4-hydroxylase inhibitors
has_related_synonym: protocollagen proline dioxygenase inhibitor
has_related_synonym: protocollagen proline dioxygenase inhibitors
has_related_synonym: protocollagen proline hydroxylase inhibitor
has_related_synonym: protocollagen proline hydroxylase inhibitors
has_related_synonym: protocollagen prolyl hydroxylase inhibitor
has_related_synonym: protocollagen prolyl hydroxylase inhibitors
imported from: chebi.owl

acceptor beta-D-glucuronoside(1-)
type: Class
subclass of: carbohydrate acid derivative anion
has_related_synonym: 176.032
has_related_synonym: C6H8O6R
id: CHEBI:132367
definition: From EC 2.4.1.17: This entry denotes a family of enzymes accepting a wide range of substrates, including phenols, alcohols, amines and fatty acids. So R can also 'start' with an N
database_cross_reference: MetaCyc:Glucuronosylated-Glucuronoside-Acceptors
has_related_synonym: [C@@H]1(*)O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O
has_related_synonym: acceptor beta-D-glucuronoside
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptotriterpenic acid A
type: Class
subclass of: organic molecular entity
id: CHEBI:132370
database_cross_reference: Pubchem:127707
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/127707
imported from: chebi.owl

triptocallic acid D
type: Class
subclass of: organic molecular entity
id: CHEBI:132371
database_cross_reference: Pubchem:44575705
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/44575705
imported from: chebi.owl

triptocallic acid C
type: Class
subclass of: organic molecular entity
id: CHEBI:132372
database_cross_reference: Pubchem:101937091
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101937091
imported from: chebi.owl

mesembryanthemoidigenic acid
type: Class
subclass of: organic molecular entity
has_related_synonym: AC1O54QP
id: CHEBI:132373
database_cross_reference: Pubchem:6452118
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6452118
imported from: chebi.owl

29-hydroxyfriedelan-3-one
type: Class
subclass of: organic molecular entity
id: CHEBI:132374
database_cross_reference: Pubchem:91895429
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/91895429
imported from: chebi.owl

wilforic acid C
type: Class
subclass of: organic molecular entity
id: CHEBI:132375
database_cross_reference: Pubchem:101707494
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101707494
imported from: chebi.owl

Wilforic acid
type: Class
subclass of: organic molecular entity
id: CHEBI:132376
database_cross_reference: Pubchem:101707492
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101707492
imported from: chebi.owl

wilforol A
type: Class
subclass of: organic molecular entity
id: CHEBI:132378
database_cross_reference: Pubchem:10096097
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10096097
imported from: chebi.owl

wilforol B
type: Class
subclass of: organic molecular entity
id: CHEBI:132379
database_cross_reference: Pubchem:10366522
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10366522
imported from: chebi.owl

cangoronin
type: Class
subclass of: organic molecular entity
id: CHEBI:132380
database_cross_reference: Pubchem:9869964
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/9869964
imported from: chebi.owl

2-O-deacetyleuonine
type: Class
subclass of: organic molecular entity
id: CHEBI:132381
database_cross_reference: Pubchem:101408619
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101408619
imported from: chebi.owl

tripfordine C
type: Class
subclass of: organic molecular entity
id: CHEBI:132382
database_cross_reference: Pubchem:101416498
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101416498
imported from: chebi.owl

wilfordinine A
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 763.740
definition: A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum.
has_related_synonym: C36H45NO17
database_cross_reference: CAS:262599-02-0
id: CHEBI:132383
has_related_synonym: InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24+,25-,26+,27+,28-,29-,30+,33-,34-,35-,36-/m0/s1
database_cross_reference: KNApSAcK:C00046976
has_related_synonym: NZJBHDRNBSDTHF-XWOHFTJRSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

wilfordinine B
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 821.777
definition: A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum.
has_related_synonym: C38H47NO19
database_cross_reference: CAS:262599-03-1
id: CHEBI:132384
has_related_synonym: GGYHKBFLZJPIPM-RBHPRBKBSA-N
has_related_synonym: InChI=1S/C38H47NO19/c1-16-23-11-12-39-13-24(23)32(46)51-14-34(8)25-26(52-18(3)41)30(55-21(6)44)37(15-50-17(2)40)31(56-22(7)45)27(53-19(4)42)29(57-33(47)35(16,9)48)36(10,49)38(37,58-34)28(25)54-20(5)43/h11-13,16,25-31,48-49H,14-15H2,1-10H3/t16-,25-,26-,27+,28-,29+,30-,31+,34+,35-,36+,37-,38+/m1/s1
database_cross_reference: KNApSAcK:C00046977
has_obo_namespace: chebi_ontology
imported from: chebi.owl

wilfordinine C
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: benzoate ester
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 883.846
definition: A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum.
has_related_synonym: C43H49NO19
database_cross_reference: CAS:262599-04-2
id: CHEBI:132385
has_related_synonym: InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20-,29-,30-,31+,32-,33+,34-,35+,39+,40-,41+,42-,43+/m1/s1
database_cross_reference: KNApSAcK:C00046978
has_related_synonym: XTKWHABDRIDBLJ-DWELFCMGSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

wilformine
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: immunosuppressive agent
subclass of: Restriction
  on property: has role
  some values from: insecticide
has_related_synonym: (8alpha)-8-(Acetyloxy)-8-deoxoevonimine
has_related_synonym: 805.777
definition: A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and exhibits immunosuppressive and insecticidal properties.
has_related_synonym: C38H47NO18
database_cross_reference: CAS:41758-69-4
id: CHEBI:132386
has_related_synonym: Euonine
has_related_synonym: InChI=1S/C38H47NO18/c1-17-12-13-25-24(11-10-14-39-25)34(47)50-15-35(8)26-27(51-19(3)41)31(54-22(6)44)37(16-49-18(2)40)32(55-23(7)45)28(52-20(4)42)30(56-33(17)46)36(9,48)38(37,57-35)29(26)53-21(5)43/h10-11,14,17,26-32,48H,12-13,15-16H2,1-9H3/t17-,26+,27+,28-,29+,30-,31+,32-,35-,36-,37+,38-/m0/s1
database_cross_reference: KNApSAcK:C00013118
database_cross_reference: PMID:11738408
database_cross_reference: PMID:12579877
database_cross_reference: PMID:14738378
database_cross_reference: PMID:16933883
database_cross_reference: PMID:18998413
database_cross_reference: PMID:23852638
database_cross_reference: PMID:2618700
database_cross_reference: Patent:FR2728466
database_cross_reference: Patent:WO9113627
has_related_synonym: QIHHQEWWGMEJTH-VWEYKOQISA-N
database_cross_reference: Reaxys:5418533
has_obo_namespace: chebi_ontology
imported from: chebi.owl

wilfornine A
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: benzoate ester
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 925.883
definition: A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii.
has_related_synonym: C45H51NO20
database_cross_reference: CAS:345954-00-9
id: CHEBI:132387
has_related_synonym: InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34-,35+,36-,37+,41?,42+,43+,44-,45+/m1/s1
database_cross_reference: KNApSAcK:C00046512
database_cross_reference: Reaxys:8821612
has_related_synonym: YJDNHPICMWQYIV-UJSRMDARSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hyponine D
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: benzoate ester
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has functional parent
  some values from: nicotinic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 930.904
definition: A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum.
has_related_synonym: BDKQPFFHSCFTQW-UWRKWEHLSA-N
has_related_synonym: C47H50N2O18
database_cross_reference: CAS:259823-31-9
id: CHEBI:132388
has_related_synonym: InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3/t23?,24?,32-,34-,35+,36-,37+,38-,39+,44+,45+,46-,47+/m1/s1
database_cross_reference: KNApSAcK:C00039395
database_cross_reference: Reaxys:8671241
has_obo_namespace: chebi_ontology
has_related_synonym: hyponin D
imported from: chebi.owl

hyponine E
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: 2-furoate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has functional parent
  some values from: nicotinic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 7-(nicotinoyloxy)-O(5)-furanoyl-O(5)-deacetyl-7-deoxo-evonine
has_related_synonym: 920.866
definition: A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum.
has_related_synonym: C45H48N2O19
database_cross_reference: CAS:226975-99-1
id: CHEBI:132389
has_related_synonym: InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-12-9-15-46-18-27)30-34(64-41(55)29-14-11-17-57-29)45(44,43(35,8)56)66-42(30,7)19-59-40(54)28-13-10-16-47-31(21)28/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3/t21?,22?,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1
database_cross_reference: KNApSAcK:C00039396
has_related_synonym: PMRSIAJYXABCTQ-IWYQQVOHSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: hyponin E
imported from: chebi.owl

hyponine F
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: 2-furoate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 7-(acetyloxy)-O(2)-furanoyl-O(2)-deacetyl-7-deoxo-evonine
has_related_synonym: 857.809
definition: A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum.
has_related_synonym: ALJJHPQWUBVQNM-KSTPHJKESA-N
has_related_synonym: C41H47NO19
database_cross_reference: CAS:259823-33-1
id: CHEBI:132390
has_related_synonym: InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(59-37(50)26-13-11-15-52-26)34(58-24(7)47)40(17-53-20(3)43)33(57-23(6)46)29(55-21(4)44)27-31(56-22(5)45)41(40,39(32,9)51)61-38(27,8)16-54-36(49)25-12-10-14-42-28(18)25/h10-15,18-19,27,29-34,51H,16-17H2,1-9H3/t18?,19?,27-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1
database_cross_reference: KNApSAcK:C00039397
database_cross_reference: Reaxys:8105536
has_obo_namespace: chebi_ontology
has_related_synonym: hyponin F
imported from: chebi.owl

neoeuonymine
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 763.740
definition: A sesquiterpene alkaloid that is isolated from Euonymus Sieboldiana.
has_related_synonym: C36H45NO17
database_cross_reference: CAS:33510-25-7
id: CHEBI:132392
has_related_synonym: InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)23-27(43)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16-,23+,25+,26-,27+,28-,29+,30-,33-,34-,35+,36-/m0/s1
has_related_synonym: NKTOESKXBIEREY-CFCLDRGZSA-N
database_cross_reference: Reaxys:5418062
has_obo_namespace: chebi_ontology
imported from: chebi.owl

forrestine
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: benzoate ester
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 867.847
definition: A sesquiterpene alkaloid that is isolated from Tripterygium forrestii, Platanus chiapensis and Maytenus chiapensis.
has_related_synonym: C43H49NO18
database_cross_reference: CAS:146439-78-3
id: CHEBI:132393
has_related_synonym: InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(60-38(51)27-14-11-10-12-15-27)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1
database_cross_reference: KNApSAcK:C00043510
has_related_synonym: LBQLWUULERJYOL-PDVUZMAKSA-N
database_cross_reference: PMID:11738408
database_cross_reference: PMID:14738378
database_cross_reference: Reaxys:8105266
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hypoglaunine C
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: benzoate ester
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 883.846
definition: A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum and Tripterygium wilfordii.
has_related_synonym: C43H49NO19
id: CHEBI:132394
has_related_synonym: InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(59-24(5)48)42(19-55-21(2)45)35(60-25(6)49)31(61-36(50)26-13-11-10-12-14-26)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)58-23(4)47/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1
has_related_synonym: MOTYOVLJDKAHIA-SWFKUUAOSA-N
database_cross_reference: PMID:10757718
database_cross_reference: PMID:23252270
database_cross_reference: Reaxys:8105598
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cangorinine E-1
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: benzoate ester
subclass of: acetate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 867.847
definition: A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii.
has_related_synonym: C43H49NO18
id: CHEBI:132395
has_related_synonym: InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)30-33(60-38(51)27-13-11-10-12-14-27)43(42,41(34,9)53)62-40(30,8)18-55-39(52)29-17-44-16-15-28(20)29/h10-17,20-21,30-36,53H,18-19H2,1-9H3/t20?,21?,30-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1
has_related_synonym: OSRVDUIIEIKWRP-QIMXLZNVSA-N
database_cross_reference: PMID:17250858
database_cross_reference: Reaxys:7740635
has_related_synonym: cangorinine E-I
has_obo_namespace: chebi_ontology
imported from: chebi.owl

regelidine
type: Class
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: tertiary alcohol
subclass of: organic heterotricyclic compound
subclass of: bridged compound
subclass of: benzoate ester
subclass of: oxacycle
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: nicotinic acid
has_exact_synonym: (3R,5R,5aS,6S,9S,9aS,10R)-5,6-bis(benzoyloxy)-9-hydroxy-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepin-10-yl pyridine-3-carboxylate
has_related_synonym: 599.672
definition: A sesquiterpene alkaloid that is isolated from the stem of Tripterygium regelii.
has_related_synonym: C35H37NO8
id: CHEBI:132396
has_related_synonym: InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27-,28-,33+,34+,35+/m1/s1
has_related_synonym: MZSHQEJWMYSZEP-OYUJOXQTSA-N
database_cross_reference: PMID:27113553
database_cross_reference: Reaxys:22297507
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-epi-fagomine
type: Class
subclass of: primary alcohol
subclass of: triol
subclass of: secondary alcohol
subclass of: hydroxypiperidine
subclass of: secondary amino compound
subclass of: amino monosaccharide
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 3.2.1.23 (beta-galactosidase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor
has_exact_synonym: (2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol
has_related_synonym: 147.173
has_related_synonym: 3-epifagomine
definition: A member of the class of hydroxypiperidines that is piperidine carrying a hydroxymethyl substituent at position 2 as well as two hydroxy substituents at positions 3 and 4 (the 2R,3R,4S-diastereomer).
has_related_synonym: C6H13NO3
database_cross_reference: CAS:156639-77-9
id: CHEBI:132399
has_related_synonym: InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
database_cross_reference: KNApSAcK:C00049947
database_cross_reference: PMID:18323202
database_cross_reference: PMID:22207282
database_cross_reference: PMID:8050098
database_cross_reference: PMID:9157194
database_cross_reference: PMID:9544568
database_cross_reference: Reaxys:7072956
has_related_synonym: YZNNBIPIQWYLDM-NGJCXOISSA-N
has_related_synonym: [C@H]1([C@H]([C@H](CCN1)O)O)CO
has_obo_namespace: chebi_ontology
imported from: chebi.owl

marmesinin
type: Class
subclass of: beta-D-glucoside
subclass of: psoralens
subclass of: monosaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: P450 inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: (-)-marmesin
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_related_synonym: (-)-Marmesinin
has_related_synonym: (-)-marmesin beta-D-glucoside
has_related_synonym: (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one
has_exact_synonym: 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside
has_related_synonym: 408.400
definition: A member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue.
has_related_synonym: Ammijin
has_related_synonym: C20H24O9
database_cross_reference: CAS:495-30-7
id: CHEBI:132401
has_related_synonym: HXCGUCZXPFBNRD-NEDVQNLSSA-N
has_related_synonym: InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14+,16-,17+,18-,19+/m1/s1
database_cross_reference: KNApSAcK:C00029680
database_cross_reference: PMID:15271422
database_cross_reference: PMID:23721280
database_cross_reference: PMID:26247834
database_cross_reference: PMID:26552172
database_cross_reference: PMID:26653144
database_cross_reference: PMID:26975106
database_cross_reference: PMID:27054911
database_cross_reference: Reaxys:98702
has_obo_namespace: chebi_ontology
imported from: chebi.owl

angelitriol
type: Class
subclass of: coumarins
subclass of: triol
subclass of: aromatic ether
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: platelet aggregation inhibitor
has_related_synonym: 294.300
has_exact_synonym: 7-methoxy-6-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-one
definition: A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation.
has_related_synonym: C15H18O6
id: CHEBI:132402
has_related_synonym: InChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3/t13-,14+/m1/s1
has_related_synonym: PCSZTTAMZGNQNB-KGLIPLIRSA-N
database_cross_reference: PMID:17238102
database_cross_reference: Pubchem:10017318
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptobenzene K
type: Class
subclass of: benzenediols
subclass of: cyclic ketone
subclass of: butenolide
subclass of: tetracyclic diterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (3bR,9bS)-6,9-dihydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
has_related_synonym: 342.386
has_related_synonym: 3beta,14,19-trihydroxy-abieta-8,11,13-triene
definition: A tetracyclic diterpenoid with fromula C20H22O5, originally isolated from the dried root outer bark of Tripterygium hypoglaucum.
has_related_synonym: C20H22O5
id: CHEBI:132482
has_related_synonym: InChI=1S/C20H22O5/c1-9(2)11-6-15(22)17-16(18(11)23)14(21)7-13-12-8-25-19(24)10(12)4-5-20(13,17)3/h6,9,13,22-23H,4-5,7-8H2,1-3H3/t13?,20-/m0/s1
database_cross_reference: Pubchem:101936047
has_related_synonym: WEYINIKPYXLZCS-JDOQCHFPSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptonoterpene methyl ether
type: Class
subclass of: phenols
subclass of: aromatic ether
subclass of: abietane diterpenoid
subclass of: carbotricyclic compound
subclass of: cyclic ketone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 11-hydroxy-14-methoxyabieta-8(14),9(11),12-trien-3-one
has_related_synonym: 11-hydroxy-14-methoxyabieta-8,11,13-trien-3-one
has_related_synonym: 330.462
definition: An abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3, 11 and 14 respectively by oxo, hydroxy and methoxy groups. It is found in Tripterygium wilfordii and Tripterygium hypoglaucum.
has_related_synonym: C21H30O3
id: CHEBI:132483
has_related_synonym: InChI=1S/C21H30O3/c1-12(2)14-11-15(22)18-13(19(14)24-6)7-8-16-20(3,4)17(23)9-10-21(16,18)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21-/m0/s1
database_cross_reference: PMID:18554602
database_cross_reference: PMID:22256754
database_cross_reference: Reaxys:7386633
has_related_synonym: SPNKZMRXBVCONG-KKSFZXQISA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

wilforidine
type: Class
subclass of: organic molecular entity
id: CHEBI:132512
database_cross_reference: Pubchem:101335371
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101335371
imported from: chebi.owl

celafurine
type: Class
subclass of: organic molecular entity
id: CHEBI:132513
database_cross_reference: Pubchem:15346742
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/15346742
imported from: chebi.owl

EC 3.2.1.23 (beta-galactosidase) inhibitor
type: Class
subclass of: EC 3.2.1.* (glycosidase) inhibitor
definition: An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of beta-galactosidase (EC 3.2.1.23).
id: CHEBI:132518
has_related_synonym: EC 3.2.1.23 (beta-galactosidase) inhibitors
has_related_synonym: EC 3.2.1.23 inhibitor
has_related_synonym: EC 3.2.1.23 inhibitors
has_related_synonym: S 2107 inhibitor
has_related_synonym: S 2107 inhibitors
has_related_synonym: beta-D-galactanase inhibitor
has_related_synonym: beta-D-galactanase inhibitors
has_related_synonym: beta-D-galactoside galactohydrolase inhibitor
has_related_synonym: beta-D-galactoside galactohydrolase inhibitors
has_related_synonym: beta-D-lactosidase inhibitor
has_related_synonym: beta-D-lactosidase inhibitors
has_related_synonym: beta-lactosidase inhibitor
has_related_synonym: beta-lactosidase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: exo-(1->4)-beta-D-galactanase inhibitor
has_related_synonym: exo-(1->4)-beta-D-galactanase inhibitors
has_related_synonym: hydrolact inhibitor
has_related_synonym: hydrolact inhibitors
has_related_synonym: lactase inhibitor
has_related_synonym: lactase inhibitors
has_related_synonym: lactozym inhibitor
has_related_synonym: lactozym inhibitors
has_related_synonym: maxilact inhibitor
has_related_synonym: maxilact inhibitors
has_related_synonym: oryzatym inhibitor
has_related_synonym: oryzatym inhibitors
has_related_synonym: sumiklat inhibitor
has_related_synonym: sumiklat inhibitors
has_related_synonym: trilactase inhibitor
has_related_synonym: trilactase inhibitors
imported from: chebi.owl

triptonoterpenol
type: Class
subclass of: organic molecular entity
id: CHEBI:132613
database_cross_reference: Pubchem:159330
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/159330
imported from: chebi.owl

triptohairic acid
type: Class
subclass of: organic molecular entity
id: CHEBI:132614
database_cross_reference: Pubchem:100929735
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/100929735
imported from: chebi.owl

orthosphenic acid
type: Class
subclass of: organic molecular entity
id: CHEBI:132615
has_related_synonym: CHEMBL515079
database_cross_reference: Pubchem:20056194
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/20056194
imported from: chebi.owl

triptotriterpenic acid B
type: Class
subclass of: organic molecular entity
has_related_synonym: (3|A,5xi,18|A,22|A)-3,22-dihydroxyolean-12-en-30-oic acid
id: CHEBI:132616
database_cross_reference: Pubchem:195563
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/195563
imported from: chebi.owl

triptotriterpenic acid C
type: Class
subclass of: organic molecular entity
id: CHEBI:132617
database_cross_reference: Pubchem:130072
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/130072
imported from: chebi.owl

triptotritepenonic acid A
type: Class
subclass of: organic molecular entity
has_related_synonym: (5xi,18|A,22|A)-22-hydroxy-3-oxoolean-12-en-30-oic acid
id: CHEBI:132618
database_cross_reference: Pubchem:192337
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/192337
imported from: chebi.owl

regelin
type: Class
subclass of: organic molecular entity
id: CHEBI:132619
database_cross_reference: Pubchem:163808
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/163808
imported from: chebi.owl

6alpha-hydroxycholestanol
type: Class
subclass of: sterol
subclass of: diol
subclass of: 3beta-hydroxy steroid
subclass of: 6alpha-hydroxy steroid
has_related_synonym: (3beta,5alpha,6alpha)-cholestane-3,6-diol
has_exact_synonym: (5alpha)-cholestane-3beta,6alpha-diol
has_related_synonym: 404.670
has_exact_synonym: 6alpha-hydroxycholestanol
definition: A sterol that is cholestanol in which the hydrogen at the 6alpha position has been replaced by a hydroxy group.
has_related_synonym: C27H48O2
id: CHEBI:132620
has_related_synonym: InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1
database_cross_reference: LIPID_MAPS_instance:LMST01010135
has_related_synonym: PMWTYEQRXYIMND-XNZKQLDXSA-N
database_cross_reference: Reaxys:3211240
has_obo_namespace: chebi_ontology
has_related_synonym: cholestan-3beta,6alpha-diol
imported from: chebi.owl

16-hydroxytriptolide
type: Class
subclass of: organic molecular entity
id: CHEBI:132621
database_cross_reference: Pubchem:126556
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/126556
imported from: chebi.owl

triptophenolide methyl ether
type: Class
subclass of: organic molecular entity
has_related_synonym: 74311-48-1
id: CHEBI:132622
database_cross_reference: Pubchem:156286
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/156286
imported from: chebi.owl

nodakenetin
type: Class
subclass of: organic molecular entity
id: CHEBI:132623
database_cross_reference: Pubchem:26305
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/26305
imported from: chebi.owl

Columbianadin
type: Class
subclass of: organic molecular entity
id: CHEBI:132624
database_cross_reference: Pubchem:6436246
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6436246
imported from: chebi.owl

CHEMBL299099
type: Class
subclass of: organic molecular entity
has_related_synonym: 2-deoxymeranzin hydrate
id: CHEBI:132625
database_cross_reference: Pubchem:10659145
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10659145
imported from: chebi.owl

columbianetin acetate
type: Class
subclass of: organic molecular entity
id: CHEBI:132626
database_cross_reference: Pubchem:161409
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/161409
imported from: chebi.owl

(+)-Angenomalin
type: Class
subclass of: organic molecular entity
id: CHEBI:132627
database_cross_reference: Pubchem:51520704
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/51520704
imported from: chebi.owl

isotalatizidine
type: Class
subclass of: organic molecular entity
id: CHEBI:132628
database_cross_reference: Pubchem:11452543
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/11452543
imported from: chebi.owl

neoline
type: Class
subclass of: organic molecular entity
id: CHEBI:132629
database_cross_reference: Pubchem:120682
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/120682
imported from: chebi.owl

benzoylmesaconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132630
database_cross_reference: Pubchem:24832657
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/24832657
imported from: chebi.owl

senbusine A
type: Class
subclass of: organic molecular entity
id: CHEBI:132631
database_cross_reference: Pubchem:100930481
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/100930481
imported from: chebi.owl

hukbusine A
type: Class
subclass of: organic molecular entity
id: CHEBI:132632
database_cross_reference: Pubchem:102375480
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/102375480
imported from: chebi.owl

benzoylaconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132633
database_cross_reference: Pubchem:78358486
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/78358486
imported from: chebi.owl

benzoylhypaconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132634
database_cross_reference: Pubchem:78358526
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/78358526
imported from: chebi.owl

neojiangyouaconitine
type: Class
subclass of: organic molecular entity
id: CHEBI:132635
database_cross_reference: Pubchem:78358553
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/78358553
imported from: chebi.owl

deoxyaconitine
type: Class
subclass of: organic molecular entity
id: CHEBI:132636
database_cross_reference: Pubchem:6426870
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6426870
imported from: chebi.owl

foresaconitine
type: Class
subclass of: organic molecular entity
id: CHEBI:132637
database_cross_reference: Pubchem:92044468
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/92044468
imported from: chebi.owl

crassicauline A
type: Class
subclass of: organic molecular entity
id: CHEBI:132638
database_cross_reference: Pubchem:157539
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/157539
imported from: chebi.owl

aconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132639
database_cross_reference: Pubchem:20054813
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/20054813
imported from: chebi.owl

yunaconitine
type: Class
subclass of: organic molecular entity
id: CHEBI:132640
database_cross_reference: Pubchem:11250863
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/11250863
imported from: chebi.owl

chasmanine
type: Class
subclass of: organic molecular entity
id: CHEBI:132641
database_cross_reference: Pubchem:20055812
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/20055812
imported from: chebi.owl

foresticine
type: Class
subclass of: organic molecular entity
id: CHEBI:132642
database_cross_reference: Pubchem:185130
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/185130
imported from: chebi.owl

N-deethylaconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132643
database_cross_reference: Pubchem:101552717
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101552717
imported from: chebi.owl

hypaconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132644
database_cross_reference: Pubchem:101671038
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101671038
imported from: chebi.owl

mesaconine
type: Class
subclass of: organic molecular entity
id: CHEBI:132645
database_cross_reference: Pubchem:101671037
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101671037
imported from: chebi.owl

oxonitine
type: Class
subclass of: organic molecular entity
id: CHEBI:132646
database_cross_reference: Pubchem:6708531
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6708531
imported from: chebi.owl

futoenone
type: Class
subclass of: organic molecular entity
id: CHEBI:132647
database_cross_reference: Pubchem:9819306
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/9819306
imported from: chebi.owl

galgravin
type: Class
subclass of: organic molecular entity
id: CHEBI:132648
database_cross_reference: Pubchem:101749
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101749
imported from: chebi.owl

Acuminatin
type: Class
subclass of: organic molecular entity
id: CHEBI:132649
database_cross_reference: Pubchem:6441048
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6441048
imported from: chebi.owl

burchellin
type: Class
subclass of: organic molecular entity
id: CHEBI:132650
database_cross_reference: Pubchem:100199
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/100199
imported from: chebi.owl

kadsurenin C
type: Class
subclass of: organic molecular entity
id: CHEBI:132651
database_cross_reference: Pubchem:45487142
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/45487142
imported from: chebi.owl

kadsurenin K
type: Class
subclass of: organic molecular entity
id: CHEBI:132652
database_cross_reference: Pubchem:3083438
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3083438
imported from: chebi.owl

kaadsurenin L
type: Class
subclass of: organic molecular entity
id: CHEBI:132653
database_cross_reference: Pubchem:3083437
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3083437
imported from: chebi.owl

kadsurenin M
type: Class
subclass of: organic molecular entity
id: CHEBI:132654
database_cross_reference: Pubchem:208856
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/208856
imported from: chebi.owl

Terpinen-4-ol
type: Class
subclass of: organic molecular entity
id: CHEBI:132655
database_cross_reference: Pubchem:11230
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/11230
imported from: chebi.owl

gamma-Elemene
type: Class
subclass of: organic molecular entity
id: CHEBI:132656
database_cross_reference: Pubchem:6432312
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6432312
imported from: chebi.owl

piperlactam S
type: Class
subclass of: organic molecular entity
id: CHEBI:132657
database_cross_reference: Pubchem:622222
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/622222
imported from: chebi.owl

pipataline
type: Class
subclass of: organic molecular entity
id: CHEBI:132658
database_cross_reference: Pubchem:9922008
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/9922008
imported from: chebi.owl

isostrychnine
type: Class
subclass of: organic molecular entity
id: CHEBI:132659
database_cross_reference: Pubchem:11024113
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/11024113
imported from: chebi.owl

isobrucine
type: Class
subclass of: organic molecular entity
id: CHEBI:132660
database_cross_reference: Pubchem:3081763
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3081763
imported from: chebi.owl

Isostrychnine N-oxide
type: Class
subclass of: organic molecular entity
id: CHEBI:132661
database_cross_reference: Pubchem:15631900
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/15631900
imported from: chebi.owl

Isobrucine N-oxide
type: Class
subclass of: organic molecular entity
id: CHEBI:132662
database_cross_reference: Pubchem:101532797
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101532797
imported from: chebi.owl

protostrychnine
type: Class
subclass of: organic molecular entity
id: CHEBI:132663
database_cross_reference: Pubchem:101282059
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101282059
imported from: chebi.owl

isopseudostrychnine
type: Class
subclass of: organic molecular entity
id: CHEBI:132664
database_cross_reference: Pubchem:101575887
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101575887
imported from: chebi.owl

Stryvomitine
type: Class
subclass of: organic molecular entity
id: CHEBI:132665
database_cross_reference: Pubchem:101575886
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101575886
imported from: chebi.owl

pseudostrychnine
type: Class
subclass of: organic molecular entity
id: CHEBI:132666
database_cross_reference: Pubchem:21723446
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/21723446
imported from: chebi.owl

pseudobrucine
type: Class
subclass of: organic molecular entity
id: CHEBI:132667
database_cross_reference: Pubchem:3083630
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3083630
imported from: chebi.owl

icajine
type: Class
subclass of: organic molecular entity
id: CHEBI:132668
database_cross_reference: Pubchem:3083907
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3083907
imported from: chebi.owl

novacine
type: Class
subclass of: organic molecular entity
id: CHEBI:132669
database_cross_reference: Pubchem:10365034
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10365034
imported from: chebi.owl

14-hydroxyicajine
type: Class
subclass of: organic molecular entity
id: CHEBI:132670
database_cross_reference: Pubchem:210990
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/210990
imported from: chebi.owl

alpha-colubrine
type: Class
subclass of: aromatic ether
subclass of: organic heteroheptacyclic compound
subclass of: monoterpenoid indole alkaloid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: strychnine
has_exact_synonym: 3-methoxystrychnidin-10-one
has_related_synonym: 3-methoxystrychnine
has_related_synonym: 364.438
definition: A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 3 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica.
has_related_synonym: C22H24N2O3
has_related_synonym: CAPUGADOGHKUQS-JPPAUQSISA-N
database_cross_reference: CAS:509-44-4
id: CHEBI:132696
has_related_synonym: InChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1
database_cross_reference: KNApSAcK:C00025153
database_cross_reference: Reaxys:57558
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-colubrine
type: Class
subclass of: aromatic ether
subclass of: organic heteroheptacyclic compound
subclass of: monoterpenoid indole alkaloid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: strychnine
has_exact_synonym: 2-methoxystrychnidin-10-one
has_related_synonym: 2-methoxystrychnine
has_related_synonym: 364.438
definition: A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 2 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica.
has_related_synonym: C22H24N2O3
database_cross_reference: CAS:509-36-4
id: CHEBI:132697
has_related_synonym: InChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1
database_cross_reference: KNApSAcK:C00025155
database_cross_reference: PMID:19235686
database_cross_reference: PMID:7912074
database_cross_reference: Reaxys:58916
has_related_synonym: ZTHVHELPCLGXHF-JPPAUQSISA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

10-Hydroxylicajine
type: Class
subclass of: organic molecular entity
id: CHEBI:132699
database_cross_reference: PDBeChem:57412271
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/57412271
imported from: chebi.owl

11-Hydroxylicajine
type: Class
subclass of: organic molecular entity
id: CHEBI:132700
database_cross_reference: Pubchem:57412270
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/57412270
imported from: chebi.owl

5-Hydroxylvomicine
type: Class
subclass of: organic molecular entity
id: CHEBI:132702
database_cross_reference: Pubchem:101575888
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101575888
imported from: chebi.owl

strychnine N-oxide
type: Class
subclass of: N-oxide
subclass of: organic heteroheptacyclic compound
subclass of: monoterpenoid indole alkaloid
subclass of: Restriction
  on property: has functional parent
  some values from: strychnine
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (1S,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0(1,18).0(2,7).0(8,22).0(11,21).0(15,20)]tetracosa-2,4,6,14-tetraen-9-one 17-oxide
has_related_synonym: 350.412
has_related_synonym: ADTDBAKUQAKBGZ-VXJIXCKJSA-N
definition: An N-oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine.
has_related_synonym: C21H22N2O3
database_cross_reference: CAS:7248-28-4
id: CHEBI:132703
has_related_synonym: InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1
has_related_synonym: N-oxystrychnine
database_cross_reference: PMID:12560037
database_cross_reference: PMID:13970484
database_cross_reference: PMID:19235686
database_cross_reference: PMID:22417832
database_cross_reference: PMID:25443369
database_cross_reference: PMID:26578094
database_cross_reference: PMID:26625339
database_cross_reference: PMID:27125604
database_cross_reference: PMID:2867877
database_cross_reference: PMID:5764883
database_cross_reference: PMID:7912074
database_cross_reference: PMID:8103941
database_cross_reference: Pubchem:73393
database_cross_reference: Reaxys:57208
has_obo_namespace: chebi_ontology
has_related_synonym: genostrychnine
has_related_synonym: strychnidin-10-one, 19-oxide
has_related_synonym: strychnine 19-oxide
has_related_synonym: strychnine N(6)-oxide
has_related_synonym: strychnine-N-oxide
imported from: chebi.owl

2-Hydroxy-3-methoxystrychnine
type: Class
subclass of: organic molecular entity
id: CHEBI:132705
database_cross_reference: Pubchem:21680050
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/21680050
imported from: chebi.owl

5-Oxobrucine
type: Class
subclass of: organic molecular entity
id: CHEBI:132707
database_cross_reference: Pubchem:57412268
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/57412268
imported from: chebi.owl

loganoside
type: Class
subclass of: organic molecular entity
id: CHEBI:132709
database_cross_reference: Pubchem:91727262
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/91727262
imported from: chebi.owl

Secoxyloganin
type: Class
subclass of: organic molecular entity
id: CHEBI:132712
database_cross_reference: Pubchem:162868
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/162868
imported from: chebi.owl

ethyl trans-caffeate
type: Class
subclass of: ethyl ester
subclass of: alkyl caffeate ester
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has functional parent
  some values from: trans-caffeic acid
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: (E)-ethyl 3,4-dihydroxycinnamate
has_related_synonym: (E)-ethyl 3-(3,4-dihydroxyphenyl)acrylate
has_related_synonym: (E)-ethyl caffeate
has_related_synonym: 208.211
definition: An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol.
has_related_synonym: C11H12O4
has_related_synonym: C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O
database_cross_reference: CAS:102-37-4
id: CHEBI:132714
has_related_synonym: InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
database_cross_reference: PMID:16041399
database_cross_reference: PMID:19813225
database_cross_reference: PMID:23050660
database_cross_reference: PMID:24892518
database_cross_reference: PMID:7334427
database_cross_reference: Pubchem:5317238
database_cross_reference: Reaxys:2106401
has_related_synonym: WDKYDMULARNCIS-GQCTYLIASA-N
database_cross_reference: Wikipedia:Ethyl_caffeate
has_obo_namespace: chebi_ontology
has_related_synonym: ethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
has_exact_synonym: ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
has_related_synonym: ethyl 3,4-dihydroxycinnamate
has_related_synonym: ethyl caffeate
imported from: chebi.owl

stepharine
type: Class
subclass of: organic molecular entity
id: CHEBI:132715
database_cross_reference: KNApSAcK:C00025272
database_cross_reference: PDBeChem:98455
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/98455
imported from: chebi.owl

stepharanine
type: Class
subclass of: organic molecular entity
id: CHEBI:132718
database_cross_reference: Pubchem:10358881
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10358881
imported from: chebi.owl

bianfugenine
type: Class
subclass of: organic molecular entity
has_related_synonym: 4,5,6,9-Tetramethoxy-7H-dibenzo(de,h)quinolin-7-one
id: CHEBI:132719
database_cross_reference: Pubchem:137399
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/137399
imported from: chebi.owl

sinomendine
type: Class
subclass of: organic molecular entity
id: CHEBI:132720
database_cross_reference: Pubchem:11759516
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/11759516
imported from: chebi.owl

dl-syrngaresinol
type: Class
subclass of: organic molecular entity
has_related_synonym: 4,4'-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol)
id: CHEBI:132721
database_cross_reference: Pubchem:100067
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/100067
imported from: chebi.owl

paeoninorigenone
type: Class
subclass of: organic molecular entity
id: CHEBI:132788
database_cross_reference: Pubchem:133475
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/133475
imported from: chebi.owl

Oxypaeoniflorin
type: Class
subclass of: organic molecular entity
id: CHEBI:132789
database_cross_reference: PDBeChem:21631105
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/21631105
imported from: chebi.owl

alpha-benzoyloxypaeoniflorin
type: Class
subclass of: organic molecular entity
id: CHEBI:132790
database_cross_reference: Pubchem:46883189
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/46883189
imported from: chebi.owl

beta-benzoyloxypaeoniflorin
type: Class
subclass of: organic molecular entity
id: CHEBI:132791
database_cross_reference: Pubchem:46883190
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/46883190
imported from: chebi.owl

(+)-Lactiflorin
type: Class
subclass of: organic molecular entity
id: CHEBI:132792
database_cross_reference: Pubchem:14605198
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/14605198
imported from: chebi.owl

albiforin
type: Class
subclass of: organic molecular entity
id: CHEBI:132793
database_cross_reference: Pubchem:24868421
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/24868421
imported from: chebi.owl

Pinen-10-yl vicianoside
type: Class
subclass of: organic molecular entity
id: CHEBI:132794
database_cross_reference: Pubchem:3036428
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3036428
imported from: chebi.owl

Lactinolide
type: Class
subclass of: organic molecular entity
id: CHEBI:132795
database_cross_reference: PDBeChem:14336593
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/14336593
imported from: chebi.owl

paeonilactinone
type: Class
subclass of: primary alcohol
subclass of: cyclic monoterpene ketone
subclass of: monoterpenoid
subclass of: carbobicyclic compound
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (1R,4S,5R)-4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
has_related_synonym: 168.233
definition: A cyclic monoterpene ketone that is bicyclo[3.1.1]heptan-2-one which is substituted at positions 4, 6, and 6 by hydroxymethyl, methyl, and methyl groups (the 1R,4S,5R stereoisomer). It has been found in Japanese Paeoniae Radix, which has been used in various Chinese medicinal preparations as an anodyne, sedative, antispasmodic, and astringent.
has_related_synonym: C10H16O2
id: CHEBI:132796
has_related_synonym: InChI=1S/C10H16O2/c1-10(2)7-4-8(10)9(12)3-6(7)5-11/h6-8,11H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
database_cross_reference: PMID:27313650
database_cross_reference: PMID:8814958
database_cross_reference: Pubchem:68588302
has_related_synonym: ZRBRUAVSMJRQMW-PRJMDXOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

6'-O-Acetylpaeoniflorin
type: Class
subclass of: organic molecular entity
id: CHEBI:132815
database_cross_reference: PDBeChem:21575212
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/21575212
imported from: chebi.owl

6'-O-Galloylalbiflorin
type: Class
subclass of: organic molecular entity
id: CHEBI:132816
database_cross_reference: Pubchem:102516500
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/102516500
imported from: chebi.owl

Paeoniflorin Sulfonate
type: Class
subclass of: organic molecular entity
id: CHEBI:132817
database_cross_reference: Pubchem:101382399
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101382399
imported from: chebi.owl

Trachelosperogenin B
type: Class
subclass of: organic molecular entity
id: CHEBI:132819
database_cross_reference: Pubchem:23259303
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/23259303
imported from: chebi.owl

Matairesinoside
type: Class
subclass of: organic molecular entity
id: CHEBI:132820
database_cross_reference: Pubchem:486612
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/486612
imported from: chebi.owl

Epipinoresinol
type: Class
subclass of: organic molecular entity
id: CHEBI:132821
database_cross_reference: PDBeChem:637584
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/637584
imported from: chebi.owl

Salicifoliol
type: Class
subclass of: organic molecular entity
id: CHEBI:132822
database_cross_reference: Pubchem:102275941
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/102275941
imported from: chebi.owl

Clionasterol
type: Class
subclass of: organic molecular entity
id: CHEBI:132823
database_cross_reference: Pesticides:457801
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/457801
imported from: chebi.owl

Spathulenol
type: Class
subclass of: organic molecular entity
id: CHEBI:132824
database_cross_reference: PDBeChem:522266
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/522266
imported from: chebi.owl

Aristoloterpenate-I
type: Class
subclass of: organic molecular entity
id: CHEBI:132825
database_cross_reference: Pubchem:10347702
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10347702
imported from: chebi.owl

Versicolactone B
type: Class
subclass of: organic molecular entity
id: CHEBI:132826
database_cross_reference: Pubchem:6438997
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/6438997
imported from: chebi.owl

Camphenilone
type: Class
subclass of: organic molecular entity
id: CHEBI:132827
database_cross_reference: Pubchem:93073
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/93073
imported from: chebi.owl

Isobornyl Formate
type: Class
subclass of: organic molecular entity
has_related_synonym: Bornyl formate
id: CHEBI:132828
database_cross_reference: Pubchem:23623868
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/23623868
imported from: chebi.owl

delta-Terpineolacetate
type: Class
subclass of: organic molecular entity
id: CHEBI:132829
database_cross_reference: Pubchem:91691738
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/91691738
has_related_synonym: terpiryl acetate
imported from: chebi.owl

delta-Elemene
type: Class
subclass of: organic molecular entity
id: CHEBI:132830
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/12309449
imported from: chebi.owl

beta-Maaliene
type: Class
subclass of: organic molecular entity
id: CHEBI:132831
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101596917
imported from: chebi.owl

gurjunele
type: Class
subclass of: organic molecular entity
id: CHEBI:132832
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/15560275
imported from: chebi.owl

L-Epicatechin
type: Class
subclass of: organic molecular entity
id: CHEBI:132833
has_related_synonym: DL-Catechin
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/1203
imported from: chebi.owl

naringenin 7-O-beta-D-glucuronide
type: Class
subclass of: beta-D-glucosiduronic acid
subclass of: polyphenol
subclass of: dihydroxyflavanone
subclass of: Restriction
  on property: has functional parent
  some values from: naringenin
has_related_synonym: 448.378
has_exact_synonym: 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
definition: A dihydroxyflavanone that is naringenin in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucuronosyl residue.
has_related_synonym: BDCRTIDKZGEVEN-DNPGXZAYSA-N
has_related_synonym: C21H20O11
id: CHEBI:132835
database_cross_reference: HMDB:HMDB29209
has_related_synonym: InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1
database_cross_reference: Reaxys:10398829
has_obo_namespace: chebi_ontology
has_related_synonym: naringenin-7-O-glucuronide
imported from: chebi.owl

(E,E)-hepta-2,4-dienal
type: Class
subclass of: heptadienal
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
has_related_synonym: (2E,4E)-2,4-heptadienal
has_exact_synonym: (2E,4E)-hepta-2,4-dienal
has_related_synonym: (E,E)-2,4-Heptadien-1-al
has_related_synonym: (E,E)-2,4-heptadienal
has_related_synonym: 110.154
has_related_synonym: 2,4-heptadienal
definition: A heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer).
has_related_synonym: C7H10O
database_cross_reference: CAS:4313-03-5
has_related_synonym: CC/C=C/C=C/C(=O)[H]
id: CHEBI:132837
has_related_synonym: InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
database_cross_reference: LIPID_MAPS_instance:LMFA06000024
database_cross_reference: PMID:23790924
database_cross_reference: PMID:26040727
database_cross_reference: Reaxys:1699244
has_related_synonym: SATICYYAWWYRAM-VNKDHWASSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: trans,trans-2,4-Heptadienal
has_related_synonym: trans,trans-Hepta-2,4-dienal
imported from: chebi.owl

3-hydroxyheptanoic acid
type: Class
subclass of: medium-chain fatty acid
subclass of: 3-hydroxy fatty acid
subclass of: Restriction
  on property: has functional parent
  some values from: heptanoic acid
has_related_synonym: 146.185
has_exact_synonym: 3-hydroxyheptanoic acid
definition: A 3-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 3 is replaced by a hydroxy group.
has_related_synonym: C(C(O)=O)C(CCCC)O
has_related_synonym: C7H14O3
id: CHEBI:132838
database_cross_reference: HMDB:HMDB61653
has_related_synonym: InChI=1S/C7H14O3/c1-2-3-4-6(8)5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
has_related_synonym: OXSSIXNFGTZQMZ-UHFFFAOYSA-N
database_cross_reference: Reaxys:1755590
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(2R,5S)-linalyl oxide
type: Class
subclass of: monoterpenoid
subclass of: tertiary alcohol
subclass of: oxolanes
subclass of: olefinic compound
has_related_synonym: 170.249
has_exact_synonym: 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
definition: A monoterpenoid that is 2-(2-hydroxypropan-2-yl)oxolane carying additional methyl and vinyl substituents both located at position 5 (the 2R,5S-diastereomer).
has_related_synonym: BRHDDEIRQPDPMG-PSASIEDQSA-N
has_related_synonym: C([C@@H]1O[C@@](CC1)(C=C)C)(O)(C)C
has_related_synonym: C10H18O2
id: CHEBI:132839
has_related_synonym: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
database_cross_reference: Reaxys:1423560
has_obo_namespace: chebi_ontology
has_related_synonym: cis-linalyl oxide
imported from: chebi.owl

(E)-2-undecenal
type: Class
subclass of: 2-undecenal
has_related_synonym: (2E)-2-undecenal
has_exact_synonym: (2E)-undec-2-enal
has_related_synonym: (E)-undec-2-enal
has_related_synonym: 168.276
has_related_synonym: 2-undecenal
definition: A 2-undecenal in which the C=C bond has E configuration.
has_related_synonym: C(CCCCCCC)/C=C/C=O
has_related_synonym: C11H20O
database_cross_reference: CAS:53448-07-0
id: CHEBI:132843
database_cross_reference: HMDB:HMDB40247
has_related_synonym: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
database_cross_reference: LIPID_MAPS_instance:LMFA06000065
has_related_synonym: PANBRUWVURLWGY-MDZDMXLPSA-N
database_cross_reference: PMID:12848511
database_cross_reference: PMID:20164502
database_cross_reference: PMID:22224661
database_cross_reference: PMID:24601090
database_cross_reference: PMID:25340465
database_cross_reference: Reaxys:1906352
has_obo_namespace: chebi_ontology
has_related_synonym: trans-2-undecenal
has_related_synonym: trans-undec-2-enal
imported from: chebi.owl

GLYCIDYL METHACRYLATE
type: Class
subclass of: organic molecular entity
id: CHEBI:132844
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/7837
imported from: chebi.owl

(Z)-hex-3-en-1-yl methyl carbonate
type: Class
subclass of: carbonate ester
subclass of: olefinic compound
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
subclass of: Restriction
  on property: has functional parent
  some values from: (Z)-hex-3-en-1-ol
has_exact_synonym: (3Z)-hex-3-en-1-yl methyl carbonate
has_related_synonym: 158.195
definition: A carbonate ester that is dimethyl carbonate in which one of the methyl groups has been replaced by a (Z)-hex-3-en-1-yl group. It has a floral scent and is used in the production of fruit or vegetable-like flavour additives.
has_related_synonym: BLOXMGXSDAAJGX-PLNGDYQASA-N
has_related_synonym: C8H14O3
database_cross_reference: CAS:67633-96-9
has_related_synonym: CC/C=C\CCOC(OC)=O
id: CHEBI:132845
has_related_synonym: InChI=1S/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4-
database_cross_reference: Reaxys:11333065
has_obo_namespace: chebi_ontology
has_related_synonym: cis-3-hexenyl methyl carbonate
has_related_synonym: cis-hex-3-en-1-yl methyl carbonate
imported from: chebi.owl

8-Methyl-1-undecene
type: Class
subclass of: organic molecular entity
id: CHEBI:132846
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/522552
imported from: chebi.owl

1-p-Menthene
type: Class
subclass of: organic molecular entity
id: CHEBI:132847
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/21671
imported from: chebi.owl

Linaloyl Oxide
type: Class
subclass of: organic molecular entity
id: CHEBI:132848
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/522514
imported from: chebi.owl

Lauric Anhydride
type: Class
subclass of: organic molecular entity
id: CHEBI:132849
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/69527
imported from: chebi.owl

trifloroside
type: Class
subclass of: pyranopyranone
subclass of: delta-lactone
subclass of: beta-D-glucoside
subclass of: phenols
subclass of: acetate ester
subclass of: secoiridoid glycoside
has_exact_synonym: (4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,6-tri-O-acetyl-4-O-[3-(beta-D-glucopyranosyloxy)-2-hydroxybenzoyl]-beta-D-glucopyranoside
has_related_synonym: 782.697
definition: A secoiridoid glycoside that is (4aS,5R,6R)-6-hydroxy-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one in which the hydroxy group has been converted to the corresponding 2,3,6-tri-O-acetyl-beta-D-glucoside, the 4-hydroxy group of which has been esterified by formal condensation with the carboxy group of 2,3-dihydroxybenzoic acid 3-beta-D-glucoside. It is a component of Gentiana scabra root extract, which is used as an internal remedy in traditional Korean medicine for the treatment of diabetes mellitus.
has_related_synonym: C35H42O20
database_cross_reference: CAS:53823-10-2
id: CHEBI:132850
has_related_synonym: InChI=1S/C35H42O20/c1-5-17-18-9-10-46-31(44)20(18)12-48-33(17)55-35-30(50-16(4)39)29(49-15(3)38)28(23(53-35)13-47-14(2)37)54-32(45)19-7-6-8-21(24(19)40)51-34-27(43)26(42)25(41)22(11-36)52-34/h5-8,12,17-18,22-23,25-30,33-36,40-43H,1,9-11,13H2,2-4H3/t17-,18+,22-,23-,25-,26+,27-,28-,29+,30-,33+,34-,35+/m1/s1
database_cross_reference: KNApSAcK:C00010796
database_cross_reference: PMCID:PMC4131568
database_cross_reference: PMID:12822897
database_cross_reference: PMID:17221438
database_cross_reference: PMID:17404979
database_cross_reference: PMID:23599008
database_cross_reference: PMID:26129938
database_cross_reference: PMID:9396170
database_cross_reference: PMID:9397205
database_cross_reference: PMID:9611826
has_related_synonym: RMBMLYUFYBZPCX-XQARLGSBSA-N
database_cross_reference: Reaxys:7970578
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Roburic Acid
type: Class
subclass of: organic molecular entity
id: CHEBI:132851
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/12315005
imported from: chebi.owl

lespedezol D1
type: Class
subclass of: pterocarpans
subclass of: aromatic ether
subclass of: organic heterotetracyclic compound
subclass of: Restriction
  on property: has functional parent
  some values from: (6aR,11aR)-3,9-dihydroxypterocarpan
has_exact_synonym: (6aR,11aR)-8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
has_related_synonym: 286.280
definition: A member of the class of pterocarpans that is (6aR,11aR)-3,9-dihydroxypterocarpan in which the hydrogen at position 8 has been replaced by a methoxy group.
has_related_synonym: C16H14O5
id: CHEBI:132852
has_related_synonym: InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1
has_related_synonym: NYGZYUAVZPIKBZ-ZBEGNZNMSA-N
database_cross_reference: Reaxys:5595634
database_cross_reference: Wikipedia:Kushenin
has_obo_namespace: chebi_ontology
has_related_synonym: kushenin
has_exact_synonym: lespedezol D1
imported from: chebi.owl

acteoside
type: Class
subclass of: glycoside
subclass of: polyphenol
subclass of: catechols
subclass of: cinnamate ester
subclass of: disaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: neuroprotective agent
subclass of: Restriction
  on property: has functional parent
  some values from: trans-caffeic acid
subclass of: Restriction
  on property: has functional parent
  some values from: hydroxytyrosol
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antileishmanial agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
has_related_synonym: 2-(3,4-dihydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
has_related_synonym: 624.588
definition: A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.
has_related_synonym: C29H36O15
database_cross_reference: CAS:61276-17-3
id: CHEBI:132853
has_alternative_id: CHEBI:9953
has_related_synonym: FBSKJMQYURKNSU-ZLSOWSIRSA-N
database_cross_reference: HMDB:HMDB34843
has_related_synonym: InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
database_cross_reference: KEGG:C10501
database_cross_reference: KNApSAcK:C00002783
database_cross_reference: PMID:10432210
database_cross_reference: PMID:25628651
database_cross_reference: PMID:25900014
database_cross_reference: PMID:25900087
database_cross_reference: PMID:26427909
database_cross_reference: PMID:26453510
database_cross_reference: PMID:26700563
database_cross_reference: PMID:26827721
database_cross_reference: PMID:26856531
database_cross_reference: PMID:26981096
database_cross_reference: PMID:26990576
database_cross_reference: PMID:27096224
database_cross_reference: PMID:27125592
database_cross_reference: PMID:27191581
database_cross_reference: PMID:27223850
database_cross_reference: PMID:27326537
database_cross_reference: PMID:27428333
database_cross_reference: Reaxys:1278646
database_cross_reference: Wikipedia:Verbascoside
has_obo_namespace: chebi_ontology
has_related_synonym: kusaginin
has_related_synonym: verbascoside
imported from: chebi.owl

9-hydroxyundec-10-enoic acid
type: Class
subclass of: hydroxy monounsaturated fatty acid
subclass of: secondary alcohol
subclass of: olefinic fatty acid
subclass of: medium-chain fatty acid
has_related_synonym: 200.275
definition: A hydroxy monounsaturated fatty acid that is undec-10-enoic acid which is substituted by a hydroxy group at position 9. It has been isolated from the leaves of Corchorus olitorius, also known as the medicinal foodstuff moroheiya.
has_related_synonym: C(CCCCCCCC(C=C)O)(O)=O
has_related_synonym: C11H20O3
id: CHEBI:132854
has_related_synonym: CJUFNYIRKDOQMC-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
database_cross_reference: Reaxys:1774484
has_obo_namespace: chebi_ontology
has_related_synonym: corchorifatty acid E
imported from: chebi.owl

Viscumneoside I
type: Class
subclass of: organic molecular entity
id: CHEBI:132856
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/42608078
imported from: chebi.owl

Viscumneoside III
type: Class
subclass of: organic molecular entity
id: CHEBI:132857
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/195287
imported from: chebi.owl

Viscumneoside IV
type: Class
subclass of: organic molecular entity
id: CHEBI:132858
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/5492426
imported from: chebi.owl

Viscumneoside V
type: Class
subclass of: organic molecular entity
id: CHEBI:132859
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/195288
imported from: chebi.owl

Viscumneoside VI
type: Class
subclass of: organic molecular entity
id: CHEBI:132860
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3082946
imported from: chebi.owl

Viscumneoside VII
type: Class
subclass of: organic molecular entity
id: CHEBI:132861
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/5748462
imported from: chebi.owl

coriatin
type: Class
subclass of: spiro-epoxide
subclass of: diol
subclass of: tertiary alcohol
subclass of: bridged compound
subclass of: sesquiterpene lactone
subclass of: organic heterotetracyclic compound
has_exact_synonym: (1S,2R,3S,5R,6R,7R,9S,12S)-2-hydroxy-12-(2-hydroxypropan-2-yl)-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.0(2,7).0(3,5)]dodecane-6,2'-oxiran]-11-one
has_related_synonym: 296.316
definition: A sesquiterpene lactone containing two epoxide groups and two tertiary hydroxy groups that has been isolated from the roots of Coriaria nepalensis.
has_related_synonym: C15H20O6
id: CHEBI:132863
has_related_synonym: InChI=1S/C15H20O6/c1-12(2,17)7-6-4-13(3)14(5-19-14)9-10(21-9)15(13,18)8(7)11(16)20-6/h6-10,17-18H,4-5H2,1-3H3/t6-,7+,8+,9+,10-,13-,14+,15-/m0/s1
has_related_synonym: LGZSARJAXHVXEV-YEJVQPDVSA-N
database_cross_reference: PMID:12016873
database_cross_reference: PMID:24467533
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Corianin
type: Class
subclass of: organic molecular entity
id: CHEBI:132864
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10880921
imported from: chebi.owl

Kaurenoic Acid
type: Class
subclass of: organic molecular entity
id: CHEBI:132865
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/73062
imported from: chebi.owl

Deoxyfuconojirimycin
type: Class
subclass of: organic molecular entity
id: CHEBI:132866
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/122618
imported from: chebi.owl

1-DEOXYNOJIRIMYCIN
type: Class
subclass of: organic molecular entity
id: CHEBI:132867
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/29435
imported from: chebi.owl

cyclomorusin A
type: Class
subclass of: polyphenol
subclass of: organic heteropentacyclic compound
subclass of: cyclic ketone
subclass of: extended flavonoid
subclass of: Restriction
  on property: has role
  some values from: EC 1.14.18.1 (tyrosinase) inhibitor
subclass of: Restriction
  on property: has functional parent
  some values from: cyclomulberrin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 3.1.1.7 (acetylcholinesterase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: platelet aggregation inhibitor
has_related_synonym: 418.440
has_exact_synonym: 6,11-dihydroxy-3,3-dimethyl-8-(2-methylprop-1-en-1-yl)-3H,7H,8H-chromeno[4,3-b]pyrano[2,3-h]chromen-7-one
definition: An extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 muM), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation.
has_related_synonym: C25H22O6
database_cross_reference: CAS:62596-34-3
id: CHEBI:132868
has_related_synonym: GDQXJMLXEYSICD-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
database_cross_reference: PMID:12648543
database_cross_reference: PMID:12662107
database_cross_reference: PMID:15884809
database_cross_reference: PMID:15885940
database_cross_reference: PMID:17396934
database_cross_reference: PMID:17405024
database_cross_reference: PMID:18330242
database_cross_reference: PMID:18608767
database_cross_reference: PMID:19149258
database_cross_reference: PMID:21434689
database_cross_reference: PMID:22145117
database_cross_reference: PMID:24381530
database_cross_reference: PMID:24494557
database_cross_reference: PMID:25981820
database_cross_reference: PMID:7903365
database_cross_reference: PMID:8435100
database_cross_reference: Reaxys:1442991
has_obo_namespace: chebi_ontology
has_related_synonym: cyclomorusin
imported from: chebi.owl

cyclomulberrin
type: Class
subclass of: chromenochromene
subclass of: polyphenol
subclass of: organic heterotetracyclic compound
subclass of: cyclic ketone
subclass of: extended flavonoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: protective agent
has_exact_synonym: 3,8,10-trihydroxy-11-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H-chromeno[4,3-b]chromen-7-one
has_related_synonym: 420.455
definition: A extended flavonoid that is 6H,7H-chromeno[4,3-b]chromen-7-one which is substituted by a 2-methylprop-1-en-1-yl group at position 6, a 3-methylbut-2-en-1-yl group at position 11, and hydroxy groups at positions 3, 8, and 10. It is found in the bark of Morus species and has been reported to protect human neuronal cells derived from the human neuroblastoma SH-SY5Y cell line.
has_related_synonym: C25H24O6
database_cross_reference: CAS:19275-51-5
id: CHEBI:132869
database_cross_reference: HMDB:HMDB30688
has_related_synonym: InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3
database_cross_reference: KNApSAcK:C00004061
database_cross_reference: PMID:19149258
database_cross_reference: PMID:20815207
database_cross_reference: PMID:22297755
database_cross_reference: PMID:7903365
database_cross_reference: PMID:8435100
database_cross_reference: Reaxys:1631347
has_related_synonym: SYFDWXWLRGHYAJ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(-)-homalomenol C
type: Class
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: organic heterotricyclic compound
subclass of: lactol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 254.366
definition: An organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol which is substituted by methyl groups at positions 5 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2S,5R,6R,7R,8R (as shown), or the enantiomer.
has_related_synonym: C15H26O3
id: CHEBI:132870
has_related_synonym: DHUDRGOPTAAHRB-ARSDKDGVSA-N
has_related_synonym: InChI=1S/C15H26O3/c1-9(2)10-5-6-13(3)11(10)12-14(4,16)7-8-15(13,17)18-12/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m1/s1
database_cross_reference: KNApSAcK:C00033918
database_cross_reference: Reaxys:5426860
has_obo_namespace: chebi_ontology
has_related_synonym: homalomenol C
has_exact_synonym: rel-(1R,2S,5R,6R,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol
imported from: chebi.owl

(-)-homalomenol D
type: Class
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: organic heterotricyclic compound
subclass of: cyclic ether
has_related_synonym: 238.366
definition: An organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol which is substituted by methyl groups at positions 2 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2R,5S,6S,7R,8R (as shown), or the enantiomer.
has_related_synonym: C15H26O2
id: CHEBI:132871
has_related_synonym: InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1
database_cross_reference: Reaxys:5425478
has_related_synonym: YEBFCABPNPSILV-RUDNTAQLSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: homalomenol D
has_exact_synonym: rel-(1R,2R,5S,6S,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol
imported from: chebi.owl

fangchinoline
type: Class
subclass of: bisbenzylisoquinoline alkaloid
subclass of: aromatic ether
subclass of: macrocycle
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: anti-HIV-1 agent
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: neuroprotective agent
has_related_synonym: (+)-fangchinoline
has_related_synonym: (+)-limacine
has_related_synonym: (1beta)-2,2'-dimethyl-6,6',12-trimethoxyberbaman-7-ol
has_exact_synonym: (1beta)-6,6',12-trimethoxy-2,2'-dimethylberbaman-7-ol
has_related_synonym: 608.725
has_related_synonym: 7-O-demethyltetrandrine
definition: A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity.
has_related_synonym: C37H40N2O6
database_cross_reference: CAS:436-77-1
id: CHEBI:132893
has_related_synonym: IIQSJHUEZBTSAT-VMPREFPWSA-N
has_related_synonym: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
database_cross_reference: PMID:18161288
database_cross_reference: PMID:19428795
database_cross_reference: PMID:19764054
database_cross_reference: PMID:20030508
database_cross_reference: PMID:20208355
database_cross_reference: PMID:21418191
database_cross_reference: PMID:22130369
database_cross_reference: PMID:22720080
database_cross_reference: PMID:23112944
database_cross_reference: PMID:23401195
database_cross_reference: PMID:23452799
database_cross_reference: PMID:23596478
database_cross_reference: PMID:24568493
database_cross_reference: PMID:24856768
database_cross_reference: PMID:25539072
database_cross_reference: PMID:25645647
database_cross_reference: PMID:25754692
database_cross_reference: PMID:25872479
database_cross_reference: PMID:26408176
database_cross_reference: PMID:26512898
database_cross_reference: PMID:26893655
database_cross_reference: Reaxys:78975
database_cross_reference: Wikipedia:Fangchinoline
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cassameridine
type: Class
subclass of: oxoaporphine alkaloid
subclass of: organonitrogen heterocyclic compound
subclass of: cyclic ketone
subclass of: organic heterohexacyclic compound
subclass of: cyclic acetal
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 319.268
has_exact_synonym: 8H-bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinolin-8-one
has_related_synonym: ANNPRBPTCAXMQI-UHFFFAOYSA-N
definition: An oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one which is substituted by methylenedioxy grups at the 1,2 and 9,10 positions. Compared with liriodenine, which lacks the 9,10-methylenedioxy group, cassameridine displays only moderate antifungal activity.
has_related_synonym: C18H9NO5
id: CHEBI:132894
has_related_synonym: InChI=1S/C18H9NO5/c20-17-10-5-12-11(21-6-22-12)4-9(10)15-14-8(1-2-19-16(14)17)3-13-18(15)24-7-23-13/h1-5H,6-7H2
database_cross_reference: KNApSAcK:C00025782
database_cross_reference: PMID:7420287
database_cross_reference: Reaxys:1088882
has_related_synonym: cassameridin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oxofangchirine
type: Class
subclass of: bisbenzylisoquinoline alkaloid
subclass of: aromatic ether
subclass of: macrocycle
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 6,6',7,12-tetramethoxy-2-methyl-1',2',3',4'-tetradehydroberbaman-15'-one
has_related_synonym: 618.676
definition: A bisbenzylisoquinoline alkaloid that is 1',2',3',4'-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6', 7, and 12, and an oxo group at the 15' position. Isolated from Stephania tetrandra.
has_related_synonym: C37H34N2O7
database_cross_reference: CAS:102516-53-0
id: CHEBI:132895
has_related_synonym: INUHRHLZFLIFNB-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C37H34N2O7/c1-39-15-13-24-19-32(43-4)36(44-5)37-33(24)27(39)16-21-6-11-28(41-2)30(17-21)45-25-9-7-22(8-10-25)35(40)34-26-20-31(46-37)29(42-3)18-23(26)12-14-38-34/h6-12,14,17-20,27H,13,15-16H2,1-5H3
database_cross_reference: KNApSAcK:C00025994
database_cross_reference: PMID:3728032
has_obo_namespace: chebi_ontology
imported from: chebi.owl

22108-99-2
type: Class
subclass of: organic molecular entity
id: CHEBI:132896
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/161379
has_related_synonym: stephanthrine
imported from: chebi.owl

BETA-TERPINEOL
type: Class
subclass of: organic molecular entity
id: CHEBI:132899
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/8748
imported from: chebi.owl

(+)-homalomenol A
type: Class
subclass of: diol
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: secondary alcohol
subclass of: carbobicyclic compound
subclass of: olefinic compound
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (1R,3aR,4R,7S,7aR)-3a,7-dimethyl-1-(2-methylprop-1-en-1-yl)octahydro-1H-indene-4,7-diol
has_related_synonym: 238.366
definition: A sesquiterpenoid that is perhydroindane which is substituted by a (2-methylprop-1-en-1-yl) group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer).
has_related_synonym: C15H26O2
database_cross_reference: CAS:145400-03-9
id: CHEBI:132900
has_related_synonym: FKMCEEHVCIIPLE-ZSAUSMIDSA-N
has_related_synonym: InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h9,11-13,16-17H,5-8H2,1-4H3/t11-,12-,13-,14+,15+/m1/s1
database_cross_reference: PMID:1368861
database_cross_reference: PMID:17511005
database_cross_reference: PMID:18975180
database_cross_reference: Reaxys:5810527
has_obo_namespace: chebi_ontology
has_related_synonym: homalomenol A
imported from: chebi.owl

(+)-homalomenol B
type: Class
subclass of: diol
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: secondary alcohol
subclass of: carbobicyclic compound
subclass of: olefinic compound
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (1R,3aR,4R,7S,7aR)-3a,7-dimethyl-1-(2-methylprop-2-en-1-yl)octahydro-1H-indene-4,7-diol
has_related_synonym: 238.366
definition: A sesquiterpenoid that is (+)-homalomenol A in which the double bond of the 2-methylpropen-1-yl group has migrated from the 1-2 position to the 2-3 position.
has_related_synonym: C15H26O2
database_cross_reference: CAS:145400-04-0
id: CHEBI:132901
has_related_synonym: InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m1/s1
has_related_synonym: PECCCWAOADXQBC-ZSAUSMIDSA-N
database_cross_reference: PMID:1368861
database_cross_reference: Reaxys:5810044
has_obo_namespace: chebi_ontology
has_related_synonym: homalomenol B
imported from: chebi.owl

1,4,7-Eudesmanetriol
type: Class
subclass of: organic molecular entity
has_related_synonym: 1beta,4beta,7alpha-trihydroxyeudesmane
id: CHEBI:132902
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/101634632
imported from: chebi.owl

oplodiol
type: Class
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: secondary alcohol
subclass of: carbobicyclic compound
has_related_synonym: (-)-oplodiol
has_exact_synonym: (1S,4R,4aR,8aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol
has_related_synonym: 238.366
has_related_synonym: C15H26O2
id: CHEBI:132903
has_related_synonym: InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13-,14-,15+/m1/s1
database_cross_reference: KNApSAcK:C00012788
database_cross_reference: PMID:10643672
database_cross_reference: PMID:15139145
database_cross_reference: PMID:18649899
database_cross_reference: PMID:19370929
database_cross_reference: PMID:19735040
has_related_synonym: SOZSXJHFVBBAOY-TUVASFSCSA-N
has_related_synonym: [1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/12313756
imported from: chebi.owl

bullatantriol
type: Class
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: triol
subclass of: secondary alcohol
subclass of: carbobicyclic compound
subclass of: Restriction
  on property: has functional parent
  some values from: oppsit-4(15)-ene-1beta,11-diol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (+)-bullatantriol
has_exact_synonym: (1R,3aR,4R,7S,7aR)-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol
has_related_synonym: 256.382
definition: A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species.
has_related_synonym: C15H28O3
id: CHEBI:132904
has_related_synonym: InChI=1S/C15H28O3/c1-13(2,17)9-10-5-7-14(3)11(16)6-8-15(4,18)12(10)14/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m1/s1
has_related_synonym: JQHTXZNYHSCIFE-FPVZYODXSA-N
database_cross_reference: PMID:1368861
database_cross_reference: PMID:17511005
database_cross_reference: PMID:18649899
database_cross_reference: PMID:23373216
database_cross_reference: Reaxys:5808002
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-Cadinol
type: Class
subclass of: organic molecular entity
id: CHEBI:132905
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/10398656
imported from: chebi.owl

T-Muurolol
type: Class
subclass of: organic molecular entity
id: CHEBI:132906
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/3084331
imported from: chebi.owl

Mucrolidin
type: Class
subclass of: organic molecular entity
id: CHEBI:132907
has_obo_namespace: chebi_ontology
definition: https://pubchem.ncbi.nlm.nih.gov/compound/14864716
imported from: chebi.owl

aspartate
type: Class
subclass of: alpha-amino-acid anion
subclass of: dicarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: aspartic acid
id: CHEBI:132943
has_related_synonym: aspartate anion
has_related_synonym: aspartic acid anion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

octadec-9-enoate
type: Class
subclass of: octadecenoate
subclass of: Restriction
  on property: is conjugate base of
  some values from: octadec-9-enoic acid
has_related_synonym: 281.454
has_related_synonym: 9-octadecenoate
definition: An octadecenoate in which the double bond is at C-9.
has_related_synonym: C(=CCCCCCCCC)CCCCCCCC(=O)[O-]
has_related_synonym: C18:1, n-9(1-)
has_related_synonym: C18H33O2
id: CHEBI:132944
has_related_synonym: Delta(9)-octadecenoate
has_related_synonym: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1
has_related_synonym: ZQPPMHVWECSIRJ-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_exact_synonym: octadec-9-enoate
imported from: chebi.owl

tartrate
type: Class
subclass of: tetraric acid anion
definition: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of any tartaric acid.
id: CHEBI:132950
has_alternative_id: CHEBI:35396
has_obo_namespace: chebi_ontology
has_related_synonym: tartaric acid anion
has_related_synonym: tartaric acid anions
has_exact_synonym: tartrate
has_related_synonym: tartrate anion
has_related_synonym: tartrate anions
has_related_synonym: tartrates
imported from: chebi.owl

oxalate
type: Class
subclass of: dicarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: oxalic acid
definition: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid.
id: CHEBI:132952
has_obo_namespace: chebi_ontology
has_related_synonym: ethanedioic acid anion
has_related_synonym: ethanedioic acid anions
has_related_synonym: oxalate anion
has_related_synonym: oxalate anions
has_related_synonym: oxalates
has_related_synonym: oxalic acid anion
has_related_synonym: oxalic acid anions
imported from: chebi.owl

oxoaporphine alkaloid
type: Class
subclass of: benzylisoquinoline alkaloid
definition: Any benzylisoquinoline alkaloid that has a 7-keto-4H-dibenzo[de,g]quinoline skeleton. They are found in members of the Anonacea, Aracea, Hernandiaceae, Lauraceae, Magnoliaceae, Menispermaceae, Monimiaceae, Papaveraceae, and Ranunculaceae families.
id: CHEBI:132998
has_obo_namespace: chebi_ontology
has_related_synonym: oxoaporphine alkaloids
imported from: chebi.owl

bisbenzylisoquinoline alkaloid
type: Class
subclass of: benzylisoquinoline alkaloid
definition: A type of benzylisoquinoline alkaloid whose structures are built up of two benzylisoquinoline units linked by ether bridges. Various structural patterns resulting from additional bridging between the two units by direct carbon-carbon bridging or by methylenedioxy groups are common.
id: CHEBI:133004
database_cross_reference: PMID:1955879
database_cross_reference: PMID:2191354
database_cross_reference: PMID:3323421
has_related_synonym: bis(benzylisoquinoline) alkaloid
has_related_synonym: bis(benzylisoquinoline) alkaloids
has_related_synonym: bis-benzylisoquinoline alkaloid
has_related_synonym: bis-benzylisoquinoline alkaloids
has_related_synonym: bisbenzylisoquinoline alkaloids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

diterpene triepoxide
type: Class
subclass of: diterpenoid
subclass of: epoxide
definition: A diterpenoid compound that contains three epoxide groups.
id: CHEBI:133018
database_cross_reference: Patent:US2002068098
has_obo_namespace: chebi_ontology
has_related_synonym: diterpene triepoxides
imported from: chebi.owl

spiro-epoxide
type: Class
subclass of: epoxide
subclass of: oxaspiro compound
definition: An oxaspiro compound in which a carbon atom of an epoxide ring is the only common member of two rings.
id: CHEBI:133131
has_obo_namespace: chebi_ontology
has_related_synonym: spiro-epoxides
has_related_synonym: spiroepoxide
has_related_synonym: spiroepoxides
imported from: chebi.owl

chromenochromene
type: Class
subclass of: organic heteropolycyclic compound
definition: Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives.
id: CHEBI:133135
has_obo_namespace: chebi_ontology
has_related_synonym: chromenochromenes
imported from: chebi.owl

undecenal
type: Class
subclass of: monounsaturated fatty acid aldehyde
subclass of: olefinic compound
has_related_synonym: 168.276
definition: A monounsaturated fatty acid aldehyde that is undecanal which has undergone formal dehydrogenation to introduce a double bond at unspecified position.
has_related_synonym: C11H20O
id: CHEBI:133150
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-undecenal
type: Class
subclass of: undecenal
subclass of: trans-2,3-unsaturated fatty aldehyde
has_related_synonym: 168.276
definition: An undecenal that has formula C11H20O.
has_related_synonym: C(CCCCCCC)C(=CC=O)[H]
has_related_synonym: C11H20O
database_cross_reference: CAS:2463-77-6
id: CHEBI:133173
has_related_synonym: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3
has_related_synonym: PANBRUWVURLWGY-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: undec-2-enal
imported from: chebi.owl

saturated dicarboxylic acid dianion(2-)
type: Class
subclass of: dicarboxylic acid dianion
has_related_synonym: 88.019
definition: A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds.
has_related_synonym: C2O4R
id: CHEBI:133291
has_related_synonym: [O-]C(*C([O-])=O)=O
has_related_synonym: a saturated dicarboxylic acid
has_obo_namespace: chebi_ontology
has_related_synonym: saturated dicarboxylate(2-)
imported from: chebi.owl

oxo dicarboxylic acid dianion
type: Class
subclass of: dicarboxylic acid dianion
subclass of: Restriction
  on property: is conjugate base of
  some values from: oxo dicarboxylic acid
definition: Any dicarboxylic acid dianion carrying one or more oxo groups.
id: CHEBI:133294
has_obo_namespace: chebi_ontology
has_related_synonym: oxo dicarboxylic acid
imported from: chebi.owl

glycol
type: Class
subclass of: diol
definition: A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.
id: CHEBI:13643
has_related_synonym: Glykol
has_related_synonym: a glycol
has_obo_namespace: chebi_ontology
has_exact_synonym: glycols
imported from: chebi.owl

carbamate
type: Class
subclass of: amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: carbamic acid
has_related_synonym: 60.03212
definition: An amino-acid anion that has formula CH2NO2.
database_cross_reference: Beilstein:3903503
database_cross_reference: CAS:302-11-4
has_related_synonym: CH2NO2
id: CHEBI:13941
has_related_synonym: Carbamat
database_cross_reference: Gmelin:239604
has_related_synonym: InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
has_related_synonym: KXDHJXZQYSOELW-UHFFFAOYSA-M
has_related_synonym: Karbamat
has_related_synonym: NC([O-])=O
has_exact_synonym: carbamate
has_related_synonym: carbamate ion
has_related_synonym: carbamic acid, ion(1-)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glutamate(1-)
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glutamate(2-)
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: glutamic acid
has_related_synonym: 146.12136
has_related_synonym: 2-ammoniopentanedioate
definition: An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group
has_related_synonym: C5H8NO4
id: CHEBI:14321
database_cross_reference: Gmelin:327908
has_related_synonym: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1
has_related_synonym: WHUUTDBJXJRKMK-UHFFFAOYSA-M
has_related_synonym: [NH3+]C(CCC([O-])=O)C([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: glutamate
has_exact_synonym: glutamate(1-)
has_related_synonym: glutamic acid monoanion
has_exact_synonym: hydrogen glutamate
imported from: chebi.owl

retinal
type: Class
subclass of: retinals
subclass of: enal
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 284.43572
has_exact_synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
definition: An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position.
has_related_synonym: C20H28O
id: CHEBI:15035
has_related_synonym: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3
database_cross_reference: MetaCyc:Retinals
has_related_synonym: NCYCYZXNIZJOKI-UHFFFAOYSA-N
database_cross_reference: Reaxys:2055098
has_obo_namespace: chebi_ontology
has_exact_synonym: retinal
imported from: chebi.owl

retinoate
type: Class
subclass of: retinoid
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: retinoic acid
has_related_synonym: 299.42718
has_exact_synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
definition: A retinoid that has formula C20H27O2.
has_related_synonym: C20H27O2
has_related_synonym: CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O
id: CHEBI:15036
has_related_synonym: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1
has_related_synonym: SHGAZHPCJJPHSC-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_exact_synonym: retinoate
imported from: chebi.owl

selenide
type: Class
subclass of: elemental selenium
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 78.96000
definition: An elemental selenium that has formula Se.
database_cross_reference: CAS:22541-48-6
id: CHEBI:15076
database_cross_reference: Gmelin:85522
has_related_synonym: HMUBNCUQSSTAIB-UHFFFAOYSA-N
has_related_synonym: InChI=1S/Se/q-2
has_related_synonym: Se
has_related_synonym: Se(2-)
has_related_synonym: [Se--]
has_obo_namespace: chebi_ontology
has_exact_synonym: selanediide
has_exact_synonym: selenide
has_exact_synonym: selenide(2-)
imported from: chebi.owl

tartrate(2-)
type: Class
subclass of: 2,3-dihydroxybutanedioate
subclass of: Restriction
  on property: is conjugate base of
  some values from: tartrate(1-)
has_related_synonym: 148.07096
database_cross_reference: Beilstein:5740673
has_related_synonym: C4H4O6
id: CHEBI:15193
has_obo_namespace: chebi_ontology
has_exact_synonym: rel-(2R,3R)-2,3-dihydroxybutanedioate
imported from: chebi.owl

acceptor
type: Class
subclass of: chemical role
has_related_synonym: A
definition: A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity.
has_exact_synonym: Acceptor
has_related_synonym: Akzeptor
has_alternative_id: CHEBI:13699
id: CHEBI:15339
has_alternative_id: CHEBI:2377
has_related_synonym: Hydrogen-acceptor
database_cross_reference: KEGG:C00028
database_cross_reference: KEGG:C16722
has_related_synonym: Oxidized donor
has_related_synonym: accepteur
has_exact_synonym: acceptor
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-D-glucosiduronic acid
type: Class
subclass of: glucosiduronic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: beta-D-glucosiduronate
definition: A glucosiduronic acid resulting from the formal condensation of any substance with beta-D-glucuronic acid to form a glycosidic bond.
has_related_synonym: Acceptor beta-D-glucuronoside
has_related_synonym: C6H9O7R
has_alternative_id: CHEBI:10404
has_alternative_id: CHEBI:13701
id: CHEBI:15341
has_alternative_id: CHEBI:22803
has_related_synonym: Glucuronide
database_cross_reference: KEGG:C03033
has_related_synonym: beta-D-Glucuronide
has_related_synonym: beta-D-Glucuronoside
has_related_synonym: beta-D-glucosiduronic acids
has_related_synonym: beta-D-glucuronides
has_related_synonym: beta-D-glucuronosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

coenzyme A
type: Class
subclass of: adenosine 3',5'-bisphosphate
subclass of: Restriction
  on property: has functional parent
  some values from: ADP
subclass of: Restriction
  on property: is conjugate acid of
  some values from: coenzyme A(4-)
subclass of: Restriction
  on property: has role
  some values from: coenzyme
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
has_related_synonym: 3'-phosphoadenosine-(5')diphospho(4')pantatheine
has_related_synonym: 767.53540
definition: A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit.
database_cross_reference: Beilstein:77809
has_related_synonym: C21H36N7O16P3S
database_cross_reference: CAS:85-61-0
has_alternative_id: CHEBI:13294
has_alternative_id: CHEBI:13295
has_alternative_id: CHEBI:13298
id: CHEBI:15346
has_alternative_id: CHEBI:23355
has_alternative_id: CHEBI:3771
has_alternative_id: CHEBI:41597
has_alternative_id: CHEBI:41631
has_alternative_id: CHEBI:741566
has_exact_synonym: COENZYME A
has_related_synonym: CoA
has_related_synonym: CoA-SH
has_related_synonym: CoASH
has_related_synonym: Coenzym A
has_exact_synonym: Coenzyme A
database_cross_reference: DrugBank:DB01992
has_related_synonym: HSCoA
database_cross_reference: KEGG:C00010
database_cross_reference: KNApSAcK:C00007258
has_related_synonym: Koenzym A
database_cross_reference: PDBeChem:COA
database_cross_reference: PDBeChem:COZ
database_cross_reference: PMID:11923312
database_cross_reference: PMID:13025483
database_cross_reference: PMID:15014152
database_cross_reference: PMID:15893380
database_cross_reference: PMID:18407920
database_cross_reference: PMID:19666462
database_cross_reference: PMID:20351285
database_cross_reference: PMID:2981478
database_cross_reference: PMID:7310833
has_related_synonym: RGJOEKWQDUBAIZ-IBOSZNHHSA-N
database_cross_reference: Wikipedia:Coenzyme_A
has_related_synonym: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

choline
type: Class
subclass of: cholines
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: neurotransmitter
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: nutrient
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 104.17080
has_exact_synonym: 2-hydroxy-N,N,N-trimethylethanaminium
definition: A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
database_cross_reference: Beilstein:1736748
has_related_synonym: Bilineurine
has_related_synonym: C5H14NO
database_cross_reference: CAS:62-49-7
has_alternative_id: CHEBI:13985
id: CHEBI:15354
has_alternative_id: CHEBI:23212
has_alternative_id: CHEBI:3665
has_alternative_id: CHEBI:41524
has_related_synonym: CHOLINE ION
has_related_synonym: C[N+](C)(C)CCO
has_exact_synonym: Choline
database_cross_reference: DrugBank:DB00122
database_cross_reference: ECMDB:ECMDB00097
database_cross_reference: Gmelin:324597
database_cross_reference: HMDB:HMDB00097
has_related_synonym: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
database_cross_reference: KEGG:C00114
database_cross_reference: KEGG:D07690
database_cross_reference: KNApSAcK:C00007298
database_cross_reference: MetaCyc:CHOLINE
has_related_synonym: N,N,N-trimethylethanol-ammonium
has_related_synonym: N-trimethylethanolamine
has_related_synonym: OEYIOHPDSNJKLS-UHFFFAOYSA-N
database_cross_reference: PDBeChem:CHT
database_cross_reference: PMID:10930630
database_cross_reference: PMID:12826235
database_cross_reference: PMID:12946691
database_cross_reference: PMID:14972364
database_cross_reference: PMID:16210714
database_cross_reference: PMID:17087106
database_cross_reference: PMID:17283071
database_cross_reference: PMID:17344490
database_cross_reference: PMID:18204095
database_cross_reference: PMID:18230680
database_cross_reference: PMID:18786517
database_cross_reference: PMID:18786520
database_cross_reference: PMID:19246089
database_cross_reference: PMID:20038853
database_cross_reference: PMID:20446114
database_cross_reference: PMID:22770225
database_cross_reference: PMID:22961562
database_cross_reference: PMID:23095202
database_cross_reference: PMID:23616508
database_cross_reference: PMID:23637565
database_cross_reference: PMID:23733158
database_cross_reference: PMID:6420466
database_cross_reference: PMID:7590654
database_cross_reference: PMID:9517478
database_cross_reference: Reaxys:1736748
database_cross_reference: Wikipedia:Choline
database_cross_reference: YMDB:YMDB00227
has_obo_namespace: chebi_ontology
has_exact_synonym: choline
has_related_synonym: trimethylethanolamine
imported from: chebi.owl

acetylcholine
type: Class
subclass of: acylcholine
subclass of: acetate ester
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: hormone
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: muscarinic agonist
subclass of: Restriction
  on property: has role
  some values from: vasodilator agent
subclass of: Restriction
  on property: has role
  some values from: neurotransmitter
has_related_synonym: 146.20748
has_exact_synonym: 2-acetyloxy-N,N,N-trimethylethanaminium
has_exact_synonym: ACETYLCHOLINE
has_related_synonym: ACh
has_exact_synonym: Acetylcholine
definition: Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter.
has_related_synonym: Azetylcholin
database_cross_reference: Beilstein:1764436
has_related_synonym: C7H16NO2
database_cross_reference: CAS:51-84-3
has_related_synonym: CC(=O)OCC[N+](C)(C)C
has_alternative_id: CHEBI:12686
has_alternative_id: CHEBI:13715
id: CHEBI:15355
has_alternative_id: CHEBI:22197
has_alternative_id: CHEBI:2416
has_alternative_id: CHEBI:40559
database_cross_reference: DrugBank:DB03128
database_cross_reference: Gmelin:326108
has_related_synonym: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
database_cross_reference: KEGG:C01996
database_cross_reference: LINCS:LSM-5888
has_related_synonym: O-Acetylcholine
has_related_synonym: OIPILFWXSMYKGL-UHFFFAOYSA-N
database_cross_reference: PDBeChem:ACH
database_cross_reference: PMID:14764638
database_cross_reference: PMID:15014918
database_cross_reference: PMID:15231705
database_cross_reference: PMID:15361288
database_cross_reference: PMID:18050502
database_cross_reference: PMID:18407448
database_cross_reference: PMID:19255787
database_cross_reference: PMID:20963497
database_cross_reference: PMID:21130809
database_cross_reference: PMID:21246223
database_cross_reference: PMID:21545631
database_cross_reference: PMID:21601579
database_cross_reference: Wikipedia:Acetylcholine
has_exact_synonym: acetylcholine
has_obo_namespace: chebi_ontology
has_related_synonym: choline acetate
imported from: chebi.owl

cysteine
type: Class
subclass of: sulfur-containing amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cysteinate(1-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: cysteinium
subclass of: Restriction
  on property: has part
  some values from: sulfanylmethyl group
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: cysteine zwitterion
has_related_synonym: 121.15922
has_related_synonym: 2-Amino-3-mercaptopropionic acid
has_related_synonym: 2-amino-3-mercaptopropanoic acid
has_related_synonym: 2-amino-3-sulfanylpropanoic acid
definition: A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.
database_cross_reference: Beilstein:1721406
has_related_synonym: C
has_related_synonym: C3H7NO2S
database_cross_reference: CAS:3374-22-9
has_alternative_id: CHEBI:14061
id: CHEBI:15356
has_alternative_id: CHEBI:23508
has_alternative_id: CHEBI:4050
has_related_synonym: Cys
has_related_synonym: Cystein
has_exact_synonym: Cysteine
database_cross_reference: Gmelin:2933
has_related_synonym: Hcys
has_related_synonym: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
database_cross_reference: KEGG:C00736
database_cross_reference: KNApSAcK:C00001351
database_cross_reference: KNApSAcK:C00007323
has_related_synonym: NC(CS)C(O)=O
database_cross_reference: PMID:17439666
database_cross_reference: PMID:25181601
database_cross_reference: Reaxys:1721406
database_cross_reference: Wikipedia:Cysteine
has_related_synonym: XUJNEKJLAYXESH-UHFFFAOYSA-N
has_related_synonym: Zystein
has_obo_namespace: chebi_ontology
has_related_synonym: cisteina
has_exact_synonym: cysteine
imported from: chebi.owl

acetic acid
type: Class
subclass of: monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: antimicrobial food preservative
subclass of: Restriction
  on property: is conjugate acid of
  some values from: acetate
subclass of: Restriction
  on property: has role
  some values from: protic solvent
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: food acidity regulator
has_related_synonym: 60.05200
definition: A simple monocarboxylic acid containing two carbons.
has_exact_synonym: ACETIC ACID
has_related_synonym: AcOH
has_exact_synonym: Acetic acid
database_cross_reference: Beilstein:506007
has_related_synonym: C2H4O2
database_cross_reference: CAS:64-19-7
has_related_synonym: CC(O)=O
has_related_synonym: CH3-COOH
has_related_synonym: CH3CO2H
id: CHEBI:15366
has_alternative_id: CHEBI:22169
has_alternative_id: CHEBI:2387
has_alternative_id: CHEBI:40486
has_related_synonym: E 260
has_related_synonym: E-260
has_related_synonym: E260
has_related_synonym: Essigsaeure
has_related_synonym: Ethanoic acid
has_related_synonym: Ethylic acid
database_cross_reference: Gmelin:1380
database_cross_reference: HMDB:HMDB00042
has_related_synonym: HOAc
has_related_synonym: INS No. 260
has_related_synonym: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
database_cross_reference: KEGG:C00033
database_cross_reference: KEGG:D00010
database_cross_reference: KNApSAcK:C00001176
database_cross_reference: LIPID_MAPS_instance:LMFA01010002
has_related_synonym: MeCO2H
has_related_synonym: MeCOOH
database_cross_reference: MetaCyc:ACET
has_related_synonym: Methanecarboxylic acid
database_cross_reference: PDBeChem:ACT
database_cross_reference: PDBeChem:ACY
database_cross_reference: PMID:12005138
database_cross_reference: PMID:15107950
database_cross_reference: PMID:16630552
database_cross_reference: PMID:16774200
database_cross_reference: PMID:17190852
database_cross_reference: PMID:19416101
database_cross_reference: PMID:19469536
database_cross_reference: PMID:22153255
database_cross_reference: PMID:22173419
has_related_synonym: QTBSBXVTEAMEQO-UHFFFAOYSA-N
database_cross_reference: Reaxys:506007
database_cross_reference: Wikipedia:Acetic_acid
has_exact_synonym: acetic acid
has_related_synonym: acide acetique
has_obo_namespace: chebi_ontology
has_related_synonym: ethoic acid
imported from: chebi.owl

all-trans-retinoic acid
type: Class
subclass of: retinoic acid
subclass of: Restriction
  on property: has role
  some values from: keratolytic drug
has_exact_synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
has_related_synonym: (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
has_related_synonym: 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)
has_related_synonym: 300.43512
definition: A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.
has_related_synonym: AGN 100335
has_related_synonym: Acide retinoique (French) (DSL)
database_cross_reference: Beilstein:2057223
has_related_synonym: C20H28O2
database_cross_reference: CAS:302-79-4
has_related_synonym: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O
id: CHEBI:15367
has_alternative_id: CHEBI:45376
has_alternative_id: CHEBI:8815
database_cross_reference: DrugBank:DB00755
database_cross_reference: HMDB:HMDB01852
has_related_synonym: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
database_cross_reference: KEGG:C00777
database_cross_reference: KEGG:D00094
database_cross_reference: LIPID_MAPS_instance:LMPR01090019
database_cross_reference: PDBeChem:REA
database_cross_reference: PMID:11073974
database_cross_reference: PMID:11214352
database_cross_reference: PMID:11332619
database_cross_reference: PMID:11343416
database_cross_reference: PMID:11437362
database_cross_reference: PMID:11556813
database_cross_reference: PMID:11722649
database_cross_reference: PMID:11896294
database_cross_reference: PMID:11904404
database_cross_reference: PMID:14581379
database_cross_reference: PMID:14605492
database_cross_reference: PMID:14627725
database_cross_reference: PMID:14704332
database_cross_reference: PMID:14705145
database_cross_reference: PMID:14978018
database_cross_reference: PMID:15194426
database_cross_reference: PMID:15318809
database_cross_reference: PMID:15327395
database_cross_reference: PMID:15359008
database_cross_reference: PMID:15376324
database_cross_reference: PMID:15476854
database_cross_reference: PMID:15537748
database_cross_reference: PMID:15539337
database_cross_reference: PMID:15675886
database_cross_reference: PMID:15839997
database_cross_reference: PMID:16569247
database_cross_reference: PMID:16685080
database_cross_reference: PMID:16688769
database_cross_reference: PMID:16720557
database_cross_reference: PMID:16819260
database_cross_reference: PMID:16847436
database_cross_reference: PMID:16920920
database_cross_reference: PMID:17073551
database_cross_reference: PMID:17166212
database_cross_reference: PMID:17204142
database_cross_reference: PMID:18052213
database_cross_reference: PMID:18085670
database_cross_reference: PMID:18162363
database_cross_reference: PMID:18183617
database_cross_reference: PMID:18318655
database_cross_reference: PMID:18322276
database_cross_reference: PMID:18400206
database_cross_reference: PMID:18404486
database_cross_reference: PMID:18440196
database_cross_reference: PMID:18678272
database_cross_reference: PMID:18819820
database_cross_reference: PMID:18977311
database_cross_reference: PMID:19112091
database_cross_reference: PMID:19144697
database_cross_reference: PMID:19427305
database_cross_reference: PMID:19587328
database_cross_reference: PMID:19597529
database_cross_reference: PMID:19814868
database_cross_reference: PMID:19841174
database_cross_reference: PMID:21898109
database_cross_reference: PMID:21924320

limonene
type: Class
subclass of: monoterpene
subclass of: Restriction
  on property: has parent hydride
  some values from: p-menthane
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: (+-)-(RS)-limonene
has_related_synonym: (+/-)-limonene
has_related_synonym: 1,8-p-menthadiene
has_related_synonym: 1-methyl-4-(1-methylethenyl)cyclohexene
has_exact_synonym: 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
has_related_synonym: 136.23404
has_related_synonym: 4-isopropenyl-1-methylcyclohexene
definition: A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively.
has_related_synonym: C10H16
database_cross_reference: CAS:138-86-3
database_cross_reference: CAS:7705-14-8
has_related_synonym: CC(=C)C1CCC(C)=CC1
has_alternative_id: CHEBI:14506
id: CHEBI:15384
has_alternative_id: CHEBI:18466
has_alternative_id: CHEBI:6463
has_related_synonym: Cajeputene
has_related_synonym: Dipentene
has_related_synonym: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
database_cross_reference: KEGG:C06078
database_cross_reference: KNApSAcK:C00000823
database_cross_reference: KNApSAcK:C00003043
has_related_synonym: Kautschin
has_exact_synonym: Limonene
database_cross_reference: Reaxys:774123
database_cross_reference: UM-BBD_compID:c0626
has_related_synonym: XMGQYMWWDOXHJM-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: dl-Limonene
has_exact_synonym: limonene
has_exact_synonym: p-mentha-1,8-diene
imported from: chebi.owl

(+)-delta-cadinene
type: Class
subclass of: cadinene
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-delta-cadinene
has_exact_synonym: (+)-delta-Cadinene
has_related_synonym: (1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene
has_related_synonym: (1S,8aR)-delta-cadinene
has_related_synonym: 204.35106
definition: A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,8aR-enantiomer).
has_related_synonym: C15H24
database_cross_reference: CAS:483-76-1
has_alternative_id: CHEBI:10750
id: CHEBI:15385
has_alternative_id: CHEBI:18458
has_alternative_id: CHEBI:56
has_related_synonym: FUCYIEXQVQJBKY-ZFWWWQNUSA-N
has_related_synonym: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
database_cross_reference: KEGG:C06394
database_cross_reference: KNApSAcK:C00007636
database_cross_reference: LIPID_MAPS_instance:LMPR0103330001
database_cross_reference: MetaCyc:CPD-1722
has_related_synonym: [H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C
has_exact_synonym: cadina-1(10),4-diene
has_obo_namespace: chebi_ontology
has_related_synonym: delta-amorphene
has_related_synonym: delta-cadinene
imported from: chebi.owl

glycine
type: Class
subclass of: serine family amino acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 75.06664
has_related_synonym: Aminoacetic acid
has_related_synonym: Aminoessigsaeure
database_cross_reference: Beilstein:635782
has_related_synonym: C2H5NO2
database_cross_reference: CAS:56-40-6
has_alternative_id: CHEBI:10792
has_alternative_id: CHEBI:14344
id: CHEBI:15428
has_alternative_id: CHEBI:24368
has_alternative_id: CHEBI:42964
has_alternative_id: CHEBI:5460
has_related_synonym: DHMQDGOQFOQNFH-UHFFFAOYSA-N
database_cross_reference: DrugBank:DB00145
database_cross_reference: ECMDB:ECMDB00123
has_related_synonym: G
has_exact_synonym: GLYCINE
has_related_synonym: Gly
has_related_synonym: Glycin
has_exact_synonym: Glycine
has_related_synonym: Glycocoll
has_related_synonym: Glykokoll
has_related_synonym: Glyzin
database_cross_reference: Gmelin:1808
has_related_synonym: H2N-CH2-COOH
database_cross_reference: HMDB:HMDB00123
has_related_synonym: Hgly
has_related_synonym: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
database_cross_reference: KEGG:C00037
database_cross_reference: KEGG:D00011
database_cross_reference: KNApSAcK:C00001361
has_related_synonym: Leimzucker
database_cross_reference: MetaCyc:GLY
has_related_synonym: NCC(O)=O
database_cross_reference: PDBeChem:GLY
database_cross_reference: PMID:10930630
database_cross_reference: PMID:11019925
database_cross_reference: PMID:11174716
database_cross_reference: PMID:11542461
database_cross_reference: PMID:11806864
database_cross_reference: PMID:12631515
database_cross_reference: PMID:12754315
database_cross_reference: PMID:12770151
database_cross_reference: PMID:12921899
database_cross_reference: PMID:15331688
database_cross_reference: PMID:15388434
database_cross_reference: PMID:15710237
database_cross_reference: PMID:16105183
database_cross_reference: PMID:16151895
database_cross_reference: PMID:16214212
database_cross_reference: PMID:16417482
database_cross_reference: PMID:16444815
database_cross_reference: PMID:16664855
database_cross_reference: PMID:16901953
database_cross_reference: PMID:16918424
database_cross_reference: PMID:16986325
database_cross_reference: PMID:16998855
database_cross_reference: PMID:17154252
database_cross_reference: PMID:17383967
database_cross_reference: PMID:17582620
database_cross_reference: PMID:17970719
database_cross_reference: PMID:18079355
database_cross_reference: PMID:18396796
database_cross_reference: PMID:18440992
database_cross_reference: PMID:18593588
database_cross_reference: PMID:18816054
database_cross_reference: PMID:18840508
database_cross_reference: PMID:19028609
database_cross_reference: PMID:19120667
database_cross_reference: PMID:19449910
database_cross_reference: PMID:19526731
database_cross_reference: PMID:19544666
database_cross_reference: PMID:19738917
database_cross_reference: PMID:19916621
database_cross_reference: PMID:19924257
database_cross_reference: PMID:21751272
database_cross_reference: PMID:22044190

squalene
type: Class
subclass of: triterpene
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_exact_synonym: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
has_related_synonym: (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
has_related_synonym: 410.71800
definition: A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.
database_cross_reference: Beilstein:1728920
has_related_synonym: C30H50
database_cross_reference: CAS:111-02-4
has_related_synonym: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
has_alternative_id: CHEBI:10795
has_alternative_id: CHEBI:10843
has_alternative_id: CHEBI:15104
id: CHEBI:15440
has_alternative_id: CHEBI:26746
has_alternative_id: CHEBI:9245
has_related_synonym: InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
database_cross_reference: KEGG:C00751
database_cross_reference: KNApSAcK:C00003755
database_cross_reference: LIPID_MAPS_instance:LMPR0106010002
database_cross_reference: PMID:16341241
database_cross_reference: PMID:24362891
has_related_synonym: Spinacene
has_exact_synonym: Squalene
has_related_synonym: Supraene
has_related_synonym: YYGNTYWPHWGJRM-AAJYLUCBSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: squalene
imported from: chebi.owl

3-oxo-fatty acyl-CoA
type: Class
subclass of: oxo-fatty acyl-CoA
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-oxo-fatty acyl-CoA(4-)
has_related_synonym: 3-Oxoacyl-CoA
has_related_synonym: 3-oxo fatty acyl-CoAs
has_related_synonym: 3-oxo fatty acyl-coenzyme A
has_related_synonym: 836.57300
definition: An oxo fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 3-oxo-fatty acid..
has_related_synonym: C24H37N7O18P3SR
has_alternative_id: CHEBI:11868
has_alternative_id: CHEBI:13606
id: CHEBI:15489
has_alternative_id: CHEBI:1629
has_alternative_id: CHEBI:20161
database_cross_reference: KEGG:C00264
database_cross_reference: PMID:11315193
database_cross_reference: PMID:11418601
database_cross_reference: PMID:11879205
database_cross_reference: PMID:7957058
database_cross_reference: PMID:8541311
has_obo_namespace: chebi_ontology
imported from: chebi.owl

malate(2-)
type: Class
subclass of: malate
subclass of: C4-dicarboxylate
subclass of: Restriction
  on property: has functional parent
  some values from: succinate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: malic acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 132.07156
has_exact_synonym: 2-hydroxybutanedioate
definition: A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid.
has_related_synonym: BJEPYKJPYRNKOW-UHFFFAOYSA-L
database_cross_reference: Beilstein:3664410
has_related_synonym: C4H4O5
database_cross_reference: CAS:149-61-1
has_alternative_id: CHEBI:14556
id: CHEBI:15595
has_alternative_id: CHEBI:25114
database_cross_reference: Gmelin:327305
has_related_synonym: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
database_cross_reference: KEGG:C00711
has_related_synonym: OC(CC([O-])=O)C([O-])=O
database_cross_reference: PMID:17190852
database_cross_reference: Reaxys:3664410
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxybutanedioic acid, ion(2-)
has_related_synonym: mal
has_related_synonym: malate anion
has_related_synonym: malate dianion
imported from: chebi.owl

(+)-catechin
type: Class
subclass of: catechin
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-catechin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
has_related_synonym: (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
has_exact_synonym: (+)-Catechin
has_related_synonym: (+)-Catechol
has_related_synonym: (+)-Cyanidan-3-ol
has_related_synonym: (2R,3S)-(+)-Catechin
has_exact_synonym: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol
has_related_synonym: (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
has_related_synonym: (2R,3S)-Catechin
has_related_synonym: (2R,3S)-catechin
has_related_synonym: (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
has_related_synonym: 290.26810
has_related_synonym: C15H14O6
database_cross_reference: CAS:154-23-4
has_alternative_id: CHEBI:10862
id: CHEBI:15600
has_alternative_id: CHEBI:18
has_alternative_id: CHEBI:18443
has_related_synonym: Cianidanol
has_related_synonym: Cyanidanol
has_related_synonym: D-Catechin
database_cross_reference: HMDB:HMDB02780
has_related_synonym: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
database_cross_reference: KEGG:C06562
database_cross_reference: KNApSAcK:C00000947
database_cross_reference: LIPID_MAPS_instance:LMPK12020001
database_cross_reference: MetaCyc:CPD-1961
database_cross_reference: PDBeChem:KXN
has_related_synonym: PFTAWBLQPZVEMU-DZGCQCFKSA-N
database_cross_reference: PMID:10617953
database_cross_reference: PMID:11196148
database_cross_reference: PMID:1502708
database_cross_reference: PMID:8224433
database_cross_reference: PMID:9438556
database_cross_reference: Reaxys:92761
definition: The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.
database_cross_reference: Wikipedia:Catechin
has_related_synonym: catechuic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(6aR,11aR)-3,9-dihydroxypterocarpan
type: Class
subclass of: pterocarpans
has_exact_synonym: (6AR,11AR)-3,9-dihydroxypterocarpan
has_exact_synonym: (6aR,11aR)-3,9-Dihydroxypterocarpan
has_exact_synonym: (6aR,11aR)-3,9-dihydroxypterocarpan
has_exact_synonym: (6aR,11aR)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol
has_related_synonym: (6aR-cis)-6a,11a-Dihydro-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol
has_related_synonym: 256.25338
definition: A pterocarpan that has formula C15H12O4.
has_related_synonym: C15H12O4
database_cross_reference: CAS:61135-91-9
has_alternative_id: CHEBI:10934
id: CHEBI:15648
has_alternative_id: CHEBI:18599
has_alternative_id: CHEBI:259
has_related_synonym: InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
database_cross_reference: KEGG:C04271
has_related_synonym: ODMIEGVTNZNSLD-WFASDCNBSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2,3-dihydroxybutanedioic acid
type: Class
subclass of: tetraric acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-carboxy-2,3-dihydroxypropanoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: (+)-Tartaric acid
has_related_synonym: (2R,3R)-Tartaric acid
has_related_synonym: (R,R)-Tartrate
has_related_synonym: 150.08684
has_exact_synonym: 2,3-dihydroxybutanedioic acid
has_related_synonym: 2,3-dihydroxysuccinic acid
definition: A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3.
has_related_synonym: C4H6O6
database_cross_reference: CAS:87-69-4
id: CHEBI:15674
has_alternative_id: CHEBI:9404
has_related_synonym: FEWJPZIEWOKRBE-UHFFFAOYSA-N
database_cross_reference: Gmelin:27021
has_related_synonym: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
database_cross_reference: KEGG:C00898
database_cross_reference: KEGG:D00103
database_cross_reference: KNApSAcK:C00001206
has_related_synonym: L-Tartaric acid
has_related_synonym: OC(C(O)C(O)=O)C(O)=O
database_cross_reference: Reaxys:510169
has_related_synonym: Tartaric acid
database_cross_reference: Wikipedia:Tartaric_Acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aldose
type: Class
subclass of: monosaccharide
has_related_synonym: 90.07790
definition: Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.
has_exact_synonym: Aldose
has_related_synonym: C2H4O2(CH2O)n
has_alternative_id: CHEBI:13755
id: CHEBI:15693
has_alternative_id: CHEBI:22305
has_alternative_id: CHEBI:2561
database_cross_reference: KEGG:C01370
database_cross_reference: Wikipedia:Aldose
has_related_synonym: aldoses
has_related_synonym: an aldose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

L-alpha-amino acid
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: L-alpha-amino acid zwitterion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: L-alpha-amino acid anion
has_related_synonym: 74.05870
definition: Any alpha-amino acid having L-configuration at the alpha-carbon.
has_related_synonym: C2H4NO2R
has_alternative_id: CHEBI:13072
has_alternative_id: CHEBI:13243
has_alternative_id: CHEBI:13797
id: CHEBI:15705
has_alternative_id: CHEBI:21224
has_alternative_id: CHEBI:6175
database_cross_reference: KEGG:C00151
has_related_synonym: L-2-Amino acid
has_related_synonym: L-Amino acid
has_exact_synonym: L-alpha-amino acid
has_related_synonym: L-alpha-amino acids
has_exact_synonym: L-alpha-amino acids
has_related_synonym: N[C@@H]([*])C(O)=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

primary alcohol
type: Class
subclass of: alcohol
has_related_synonym: 1-Alcohol
has_related_synonym: 31.03390
definition: A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.
has_related_synonym: CH3OR
has_alternative_id: CHEBI:13676
has_alternative_id: CHEBI:14887
id: CHEBI:15734
has_alternative_id: CHEBI:26262
has_alternative_id: CHEBI:57489
has_alternative_id: CHEBI:8406
database_cross_reference: KEGG:C00226
has_exact_synonym: Primary alcohol
has_related_synonym: [H]C([H])(O)[*]
has_related_synonym: a primary alcohol
has_obo_namespace: chebi_ontology
has_related_synonym: primary alcohols
imported from: chebi.owl

formate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: formic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 45.01744
definition: A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.
has_related_synonym: BDAGIHXWWSANSR-UHFFFAOYSA-M
database_cross_reference: Beilstein:1901205
database_cross_reference: CAS:71-47-6
has_alternative_id: CHEBI:14276
id: CHEBI:15740
has_alternative_id: CHEBI:24081
has_related_synonym: CHO2
database_cross_reference: Gmelin:1006
has_related_synonym: HCO2 anion
database_cross_reference: HMDB:HMDB00142
has_related_synonym: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
database_cross_reference: KEGG:C00058
database_cross_reference: MetaCyc:FORMATE
database_cross_reference: PMID:17190852
database_cross_reference: PMID:3946945
database_cross_reference: Reaxys:1901205
database_cross_reference: UM-BBD_compID:c0106
database_cross_reference: Wikipedia:Formate
has_related_synonym: [H]C([O-])=O
has_related_synonym: aminate
has_obo_namespace: chebi_ontology
has_exact_synonym: formate
has_related_synonym: formiate
has_related_synonym: formic acid, ion(1-)
has_related_synonym: formylate
has_related_synonym: hydrogen carboxylate
has_related_synonym: methanoate
imported from: chebi.owl

succinic acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
subclass of: C4-dicarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: anti-ulcer drug
subclass of: Restriction
  on property: has role
  some values from: nutraceutical
subclass of: Restriction
  on property: is conjugate acid of
  some values from: succinate(1-)
subclass of: Restriction
  on property: has role
  some values from: radiation protective agent
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 1,2-ethanedicarboxylic acid
has_related_synonym: 118.08800
definition: An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.
database_cross_reference: Beilstein:1754069
has_related_synonym: Bernsteinsaeure
has_related_synonym: Butandisaeure
has_related_synonym: Butanedionic acid
has_related_synonym: C4H6O4
database_cross_reference: CAS:110-15-6
id: CHEBI:15741
has_alternative_id: CHEBI:22943
has_alternative_id: CHEBI:26807
has_alternative_id: CHEBI:45639
has_alternative_id: CHEBI:9304
has_related_synonym: Dihydrofumaric acid
database_cross_reference: DrugBank:DB00139
has_related_synonym: E363
database_cross_reference: ECMDB:ECMDB00254
has_related_synonym: Ethylenesuccinic acid
database_cross_reference: Gmelin:2785
database_cross_reference: HMDB:HMDB00254
has_related_synonym: HOOC-CH2-CH2-COOH
has_related_synonym: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
has_related_synonym: KDYFGRWQOYBRFD-UHFFFAOYSA-N
database_cross_reference: KEGG:C00042
database_cross_reference: KNApSAcK:C00001205
database_cross_reference: LIPID_MAPS_instance:LMFA01170043
database_cross_reference: MetaCyc:SUC
has_related_synonym: OC(=O)CCC(O)=O
database_cross_reference: PDBeChem:SIN
database_cross_reference: PMID:17439666
database_cross_reference: Reaxys:1754069
has_exact_synonym: SUCCINIC ACID
has_exact_synonym: Succinic acid
database_cross_reference: Wikipedia:Succinic_acid
database_cross_reference: YMDB:YMDB00338
has_related_synonym: acide butanedioique
has_related_synonym: acide succinique
has_related_synonym: acidum succinicum
has_related_synonym: amber acid
has_related_synonym: asuccin
has_exact_synonym: butanedioic acid
has_obo_namespace: chebi_ontology
has_related_synonym: spirit of amber
has_exact_synonym: succinic acid
imported from: chebi.owl

hexadecanoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hexadecanoate
subclass of: Restriction
  on property: has role
  some values from: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
has_related_synonym: 1-Pentadecanecarboxylic acid
has_related_synonym: 1-hexyldecanoic acid
has_related_synonym: 16:00
has_related_synonym: 256.42410
definition: A straight-chain, sixteen-carbon, saturated long-chain fatty acid.
database_cross_reference: Beilstein:607489
has_related_synonym: C16
has_related_synonym: C16 fatty acid
has_related_synonym: C16:0
has_related_synonym: C16H32O2
database_cross_reference: CAS:57-10-3
has_related_synonym: CCCCCCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]14-COOH
has_alternative_id: CHEBI:14730
id: CHEBI:15756
has_alternative_id: CHEBI:233028
has_alternative_id: CHEBI:24540
has_alternative_id: CHEBI:24541
has_alternative_id: CHEBI:24542
has_alternative_id: CHEBI:24550
has_alternative_id: CHEBI:29889
has_alternative_id: CHEBI:35978
has_alternative_id: CHEBI:44952
database_cross_reference: DrugBank:DB03796
database_cross_reference: Gmelin:190200
database_cross_reference: HMDB:HMDB00220
has_related_synonym: Hexadecanoate
has_related_synonym: Hexadecylic acid
has_related_synonym: Hexaectylic acid
has_related_synonym: IPCSVZSSVZVIGE-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
database_cross_reference: KEGG:C00249
database_cross_reference: KEGG:D05341
database_cross_reference: KNApSAcK:C00001233
database_cross_reference: KNApSAcK:C00030479
database_cross_reference: LIPID_MAPS_instance:LMFA01010001
database_cross_reference: MetaCyc:PALMITATE
has_related_synonym: PALMITIC ACID
database_cross_reference: PDBeChem:PLM
database_cross_reference: PMID:12492626
database_cross_reference: PMID:15357969
database_cross_reference: PMID:1589452
database_cross_reference: PMID:16509590
database_cross_reference: PMID:16884313
database_cross_reference: PMID:17439666
database_cross_reference: PMID:17502136
database_cross_reference: PMID:20001317
database_cross_reference: PMID:22735334
has_related_synonym: Palmitate
has_related_synonym: Palmitic acid
has_related_synonym: Palmitinic acid
has_related_synonym: Palmitinsaeure
has_related_synonym: Pentadecanecarboxylic acid
database_cross_reference: Reaxys:607489
database_cross_reference: Wikipedia:Palmitic_acid
has_related_synonym: cetylic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadecanoic acid
has_related_synonym: hexadecoic acid
has_related_synonym: n-hexadecanoic acid
has_related_synonym: n-hexadecoic acid
has_related_synonym: palmitic acid
imported from: chebi.owl

loganin
type: Class
subclass of: beta-D-glucoside
subclass of: methyl ester
subclass of: cyclopentapyran
subclass of: iridoid monoterpenoid
subclass of: enoate ester
subclass of: monosaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
has_related_synonym: 390.38234
database_cross_reference: AGR:IND500719365
has_related_synonym: AMBQHHVBBHTQBF-UOUCRYGSSA-N
definition: An iridoid monoterpenoid isolated from the plant species of the genus Cornus.
has_related_synonym: C17H26O10
database_cross_reference: CAS:18524-94-2
has_alternative_id: CHEBI:14525
id: CHEBI:15771
has_alternative_id: CHEBI:25069
has_alternative_id: CHEBI:6513
has_related_synonym: InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1
database_cross_reference: KEGG:C01433
database_cross_reference: KNApSAcK:C00003088
database_cross_reference: LIPID_MAPS_instance:LMPR0102070001
has_exact_synonym: Loganin
database_cross_reference: MetaCyc:LOGANIN
database_cross_reference: PMID:19666019
database_cross_reference: PMID:22931211
database_cross_reference: Reaxys:55724
database_cross_reference: Wikipedia:Loganin
has_obo_namespace: chebi_ontology
has_exact_synonym: loganin
has_exact_synonym: methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
imported from: chebi.owl

malonate(2-)
type: Class
subclass of: saturated dicarboxylic acid dianion(2-)
subclass of: Restriction
  on property: has role
  some values from: mitochondrial respiratory-chain inhibitor
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: malonate(1-)
has_related_synonym: (-)OOC-CH2-COO(-)
has_related_synonym: 102.04558
definition: A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid.
database_cross_reference: Beilstein:3904386
has_related_synonym: C3H2O4
database_cross_reference: CAS:156-80-9
has_alternative_id: CHEBI:14563
id: CHEBI:15792
has_alternative_id: CHEBI:25130
has_alternative_id: CHEBI:44151
database_cross_reference: DrugBank:DB02201
database_cross_reference: Gmelin:141932
has_related_synonym: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
database_cross_reference: KEGG:C00383
has_related_synonym: MALONATE ION
has_related_synonym: OFOBLEOULBTSOW-UHFFFAOYSA-L
database_cross_reference: PDBeChem:MLI
database_cross_reference: Reaxys:3904386
has_related_synonym: [O-]C(=O)CC([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: malo
has_related_synonym: malonate
has_related_synonym: malonic acid, ion(2-)
has_exact_synonym: propanedioate
has_related_synonym: propanedioic acid, ion(2-)
imported from: chebi.owl

luteolin
type: Class
subclass of: 3'-hydroxyflavonoid
subclass of: tetrahydroxyflavone
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-)
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: EC 2.3.1.85 (fatty acid synthase) inhibitor
has_related_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone
has_related_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
has_related_synonym: 286.23630
has_related_synonym: 3',4',5,7-Tetrahydroxyflavone
has_related_synonym: 5,7,3',4'-Tetrahydroxyflavone
definition: A 3'-hydroxyflavonoid which is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an agent in the prevention of inflammation, a promoter of carbohydrate metabolism, and an immune system modulator.
has_related_synonym: C15H10O6
database_cross_reference: CAS:491-70-3
has_alternative_id: CHEBI:12082
has_alternative_id: CHEBI:14536
id: CHEBI:15864
has_alternative_id: CHEBI:25086
has_alternative_id: CHEBI:6578
database_cross_reference: HMDB:HMDB05800
has_related_synonym: IQPNAANSBPBGFQ-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
database_cross_reference: KEGG:C01514
database_cross_reference: KNApSAcK:C00000674
database_cross_reference: LINCS:LSM-5229
database_cross_reference: LIPID_MAPS_instance:LMPK12110006
has_exact_synonym: Luteolin
has_related_synonym: Luteolol
database_cross_reference: MetaCyc:5734-TETRAHYDROXYFLAVONE
has_related_synonym: Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
database_cross_reference: PMID:18946424
database_cross_reference: PMID:18991571
database_cross_reference: PMID:21899269
database_cross_reference: PMID:22749133
database_cross_reference: PMID:23035972
database_cross_reference: PMID:23229294
database_cross_reference: Reaxys:292084
has_related_synonym: Salifazide
database_cross_reference: Wikipedia:Luteolin
has_obo_namespace: chebi_ontology
has_related_synonym: digitoflavone
has_related_synonym: flacitran
imported from: chebi.owl

sterol
type: Class
subclass of: 3-hydroxy steroid
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 3-hydroxysteroids
definition: A 3-hydroxy steroid closely related to cholestan-3-ol.
has_alternative_id: CHEBI:13688
has_alternative_id: CHEBI:15114
id: CHEBI:15889
has_alternative_id: CHEBI:26771
has_alternative_id: CHEBI:9266
database_cross_reference: KEGG:C00370
database_cross_reference: LIPID_MAPS_class:LMST01
has_exact_synonym: Sterol
has_obo_namespace: chebi_ontology
has_exact_synonym: sterol
has_exact_synonym: sterols
imported from: chebi.owl

5,6-dihydrouracil
type: Class
subclass of: pyrimidone
subclass of: Restriction
  on property: has functional parent
  some values from: uracil
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_related_synonym: 114.10272
has_related_synonym: 2,4(1H,3H)-Pyrimidinedione, dihydro-
has_related_synonym: 2,4-Dioxotetrahydropyrimidine
has_related_synonym: 5,6-Dihydro-2,4-dihydroxypyrimidine
has_exact_synonym: 5,6-Dihydrouracil
has_exact_synonym: 5,6-dihydrouracil
definition: A pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil.
database_cross_reference: Beilstein:112496
database_cross_reference: Beilstein:1851498
has_related_synonym: C4H6N2O2
database_cross_reference: CAS:504-07-4
has_alternative_id: CHEBI:12078
id: CHEBI:15901
has_alternative_id: CHEBI:19360
has_alternative_id: CHEBI:1999
has_alternative_id: CHEBI:20511
has_alternative_id: CHEBI:42107
has_alternative_id: CHEBI:921
has_related_synonym: DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
has_related_synonym: Dihydro-2,4(1H,3H)-pyrimidinedione
has_related_synonym: Dihydrouracil
has_related_synonym: Dihydrouracile
database_cross_reference: HMDB:HMDB00076
has_related_synonym: Hydrouracil
has_related_synonym: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
database_cross_reference: KEGG:C00429
database_cross_reference: MetaCyc:DI-H-URACIL
has_related_synonym: O=C1CCNC(=O)N1
has_related_synonym: OIVLITBTBDPEFK-UHFFFAOYSA-N
database_cross_reference: PDBeChem:DUC
database_cross_reference: PMID:15724255
database_cross_reference: PMID:18619742
database_cross_reference: PMID:20926004
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:112496
database_cross_reference: Wikipedia:Dihydrouracil
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydropyrimidine-2,4(1H,3H)-dione
imported from: chebi.owl

beta-D-glucose
type: Class
subclass of: D-glucopyranose
subclass of: Restriction
  on property: has role
  some values from: epitope
subclass of: Restriction
  on property: is enantiomer of
  some values from: beta-L-glucose
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 180.15588
has_exact_synonym: BETA-D-GLUCOSE
database_cross_reference: Beilstein:1281607
has_related_synonym: C6H12O6
database_cross_reference: CAS:492-61-5
has_alternative_id: CHEBI:10397
has_alternative_id: CHEBI:12373
id: CHEBI:15903
has_alternative_id: CHEBI:22795
has_alternative_id: CHEBI:41140
definition: D-Glucopyranose with beta configuration at the anomeric centre.
database_cross_reference: DrugBank:DB02379
database_cross_reference: Gmelin:648637
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
database_cross_reference: KEGG:C00221
database_cross_reference: PDBeChem:BGC
database_cross_reference: PMID:19443021
database_cross_reference: PMID:25568069
database_cross_reference: Reaxys:1281607
has_related_synonym: WQZGKKKJIJFFOK-VFUOTHLCSA-N
has_exact_synonym: beta-D-Glucose
has_exact_synonym: beta-D-glucopyranose
has_exact_synonym: beta-D-glucose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

long-chain fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: long-chain fatty acid anion
definition: A fatty acid with a chain length ranging from C13 to C22.
has_alternative_id: CHEBI:13655
has_alternative_id: CHEBI:14529
id: CHEBI:15904
has_alternative_id: CHEBI:25075
has_alternative_id: CHEBI:6528
has_related_synonym: CHO2R
has_related_synonym: Higher fatty acid
database_cross_reference: KEGG:C00638
has_related_synonym: LCFA
has_related_synonym: LCFAs
has_exact_synonym: Long-chain fatty acid
has_related_synonym: OC([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: long-chain fatty acids
imported from: chebi.owl

nicotinic acid
type: Class
subclass of: pyridine alkaloid
subclass of: pyridinemonocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: B vitamin
has_related_synonym: 123.10944
has_related_synonym: 3-Pyridinecarboxylic acid
has_related_synonym: 3-Pyridylcarboxylic acid
has_related_synonym: 3-carboxypyridine
definition: A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.
database_cross_reference: Beilstein:109591
has_related_synonym: C6H5NO2
database_cross_reference: CAS:59-67-6
id: CHEBI:15940
has_alternative_id: CHEBI:25538
has_alternative_id: CHEBI:44319
has_alternative_id: CHEBI:7559
database_cross_reference: DrugBank:DB00627
database_cross_reference: Gmelin:3340
database_cross_reference: HMDB:HMDB01488
has_related_synonym: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
database_cross_reference: KEGG:C00253
database_cross_reference: KEGG:D00049
database_cross_reference: KNApSAcK:C00000208
database_cross_reference: LINCS:LSM-4676
database_cross_reference: MetaCyc:NIACINE
has_exact_synonym: NICOTINIC ACID
has_related_synonym: Niacin
has_exact_synonym: Nicotinic acid
has_related_synonym: Nikotinsaeure
has_related_synonym: OC(=O)c1cccnc1
has_related_synonym: P.P. factor
database_cross_reference: PDBeChem:NIO
database_cross_reference: PMID:12563315
database_cross_reference: PMID:12789870
database_cross_reference: PMID:15037193
database_cross_reference: PMID:15183629
database_cross_reference: PMID:15205990
database_cross_reference: PMID:15311728
database_cross_reference: PMID:15627518
database_cross_reference: PMID:16018787
database_cross_reference: PMID:16172771
database_cross_reference: PMID:16400392
database_cross_reference: PMID:16449845
database_cross_reference: PMID:16767301
database_cross_reference: PMID:16877271
database_cross_reference: PMID:16945375
database_cross_reference: PMID:18037924
database_cross_reference: PMID:18993152
database_cross_reference: PMID:18996527
database_cross_reference: PMID:19369827
database_cross_reference: PMID:19592242
database_cross_reference: PMID:19678716
database_cross_reference: PMID:19779335
database_cross_reference: PMID:20979384
database_cross_reference: PMID:21632263
database_cross_reference: PMID:22116693
database_cross_reference: PMID:22155410
database_cross_reference: PMID:22229411
database_cross_reference: PMID:22366213
database_cross_reference: PMID:22458880
database_cross_reference: PMID:22770225
database_cross_reference: PMID:24568240
database_cross_reference: PMID:24675661
database_cross_reference: PMID:24848081
database_cross_reference: PMID:24975217
database_cross_reference: PMID:25040591
database_cross_reference: PMID:25241762
database_cross_reference: PMID:25429652
database_cross_reference: PMID:4259917
has_related_synonym: PP factor
has_related_synonym: PVNIIMVLHYAWGP-UHFFFAOYSA-N
database_cross_reference: Reaxys:109591
database_cross_reference: Wikipedia:Niacin
has_related_synonym: acide nicotinique
has_related_synonym: acido nicotinico
has_related_synonym: acidum nicotinicum
has_related_synonym: anti-pellagra vitamin
has_related_synonym: beta-pyridinecarboxylic acid
has_obo_namespace: chebi_ontology
has_related_synonym: m-pyridinecarboxylic acid

(R)-lactate
type: Class
subclass of: lactate
subclass of: Restriction
  on property: is enantiomer of
  some values from: (S)-lactate
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: (R)-lactic acid
has_exact_synonym: (2R)-2-hydroxypropanoate
has_exact_synonym: (R)-lactate
has_related_synonym: 89.07000
definition: An optically active form of lactate having (R)-configuration.
database_cross_reference: Beilstein:4655978
has_related_synonym: C3H5O3
has_alternative_id: CHEBI:11001
id: CHEBI:16004
has_alternative_id: CHEBI:18684
has_related_synonym: C[C@@H](O)C([O-])=O
has_related_synonym: D-2-hydroxypropanoate
has_related_synonym: D-2-hydroxypropionate
has_related_synonym: D-lactate
database_cross_reference: Gmelin:362716
has_related_synonym: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1
has_related_synonym: JVTAAEKCZFNVCJ-UWTATZPHSA-M
database_cross_reference: KEGG:C00256
database_cross_reference: MetaCyc:D-LACTATE
database_cross_reference: Reaxys:4655978
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ethylbenzene
type: Class
subclass of: alkylbenzene
has_related_synonym: 106.16500
has_related_synonym: Aethylbenzol
definition: An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum.
database_cross_reference: Beilstein:1901871
has_related_synonym: C8H10
database_cross_reference: CAS:100-41-4
has_related_synonym: CCc1ccccc1
has_alternative_id: CHEBI:14229
id: CHEBI:16101
has_alternative_id: CHEBI:23999
has_alternative_id: CHEBI:45136
has_alternative_id: CHEBI:4898
database_cross_reference: DrugBank:DB01722
has_exact_synonym: Ethylbenzene
has_related_synonym: Ethylbenzol
has_related_synonym: Ethylenzene
database_cross_reference: Gmelin:2990
database_cross_reference: HMDB:HMDB59905
has_related_synonym: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
database_cross_reference: KEGG:C07111
database_cross_reference: MetaCyc:ETHYLBENZENE
has_related_synonym: PHENYLETHANE
has_related_synonym: Phenylethane
database_cross_reference: Reaxys:1901871
database_cross_reference: UM-BBD_compID:c0116
database_cross_reference: Wikipedia:Ethylbenzene
has_related_synonym: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
has_related_synonym: alpha-methyltoluene
has_obo_namespace: chebi_ontology
has_exact_synonym: ethylbenzene
imported from: chebi.owl

chlorogenic acid
type: Class
subclass of: tannin
subclass of: cinnamate ester
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: trans-caffeic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: chlorogenate
subclass of: Restriction
  on property: has role
  some values from: food component
subclass of: Restriction
  on property: has functional parent
  some values from: (-)-quinic acid
has_related_synonym: 3-(3,4-Dihydroxycinnamoyl)quinic acid
has_related_synonym: 3-Caffeoylquinic acid
has_related_synonym: 3-O-Caffeoylquinic acid
has_related_synonym: 354.30870
has_related_synonym: 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid
definition: A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin.
has_related_synonym: C16H18O9
database_cross_reference: CAS:327-97-9
has_alternative_id: CHEBI:13972
id: CHEBI:16112
has_alternative_id: CHEBI:23145
has_alternative_id: CHEBI:3625
has_related_synonym: CWVRJTMFETXNAD-JUHZACGLSA-N
has_related_synonym: Caffeoyl quinic acid
has_related_synonym: Chlorogenate
has_exact_synonym: Chlorogenic acid
database_cross_reference: HMDB:HMDB03164
has_related_synonym: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
database_cross_reference: KEGG:C00852
database_cross_reference: KNApSAcK:C00002724
database_cross_reference: MetaCyc:CAFFEOYLQUINATE
database_cross_reference: PMID:16507475
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:2017157
database_cross_reference: Wikipedia:Chlorogenic_acid
has_related_synonym: [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
has_related_synonym: trans-5-O-Caffeoyl-D-quinate
imported from: chebi.owl

cholesterol
type: Class
subclass of: C27-steroid
subclass of: 3beta-sterol
subclass of: cholestanoid
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia galeata metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
has_related_synonym: (3beta,14beta,17alpha)-cholest-5-en-3-ol
has_related_synonym: 386.65350
definition: A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group.
database_cross_reference: Beilstein:2060565
has_related_synonym: C27H46O
database_cross_reference: CAS:57-88-5
has_alternative_id: CHEBI:13982
id: CHEBI:16113
has_alternative_id: CHEBI:23204
has_alternative_id: CHEBI:3659
has_alternative_id: CHEBI:41564
has_exact_synonym: CHOLESTEROL
has_related_synonym: Cholest-5-en-3beta-ol
has_related_synonym: Cholesterin
has_exact_synonym: Cholesterol
database_cross_reference: DrugBank:DB04540
database_cross_reference: Gmelin:550297
database_cross_reference: HMDB:HMDB00067
has_related_synonym: HVYWMOMLDIMFJA-DPAQBDIFSA-N
has_related_synonym: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
database_cross_reference: KEGG:C00187
database_cross_reference: KEGG:D00040
database_cross_reference: KNApSAcK:C00003648
database_cross_reference: LIPID_MAPS_instance:LMST01010001
database_cross_reference: MetaCyc:CHOLESTEROL
database_cross_reference: PDBeChem:CLR
database_cross_reference: PMID:10901445
database_cross_reference: PMID:11412894
database_cross_reference: PMID:16341241
database_cross_reference: PMID:24287311
database_cross_reference: PMID:25308664
database_cross_reference: PMID:25451949
database_cross_reference: PMID:25522988
database_cross_reference: PMID:25658343
database_cross_reference: PMID:25977713
database_cross_reference: PMID:4696527
database_cross_reference: PMID:8838010
database_cross_reference: Reaxys:2060565
database_cross_reference: Wikipedia:Cholesterol
has_obo_namespace: chebi_ontology
has_exact_synonym: cholest-5-en-3beta-ol
has_exact_synonym: cholesterol
imported from: chebi.owl

shikimic acid
type: Class
subclass of: cyclohexenecarboxylic acid
subclass of: hydroxy monocarboxylic acid
subclass of: alpha,beta-unsaturated monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: shikimate
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_exact_synonym: (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
has_related_synonym: 174.15130
has_related_synonym: 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
has_related_synonym: 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid
definition: A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.
database_cross_reference: Beilstein:2210055
has_related_synonym: C7H10O5
database_cross_reference: CAS:138-59-0
id: CHEBI:16119
has_alternative_id: CHEBI:26662
has_alternative_id: CHEBI:26664
has_alternative_id: CHEBI:45740
has_alternative_id: CHEBI:9133
database_cross_reference: HMDB:HMDB03070
has_related_synonym: InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
has_related_synonym: JXOHGGNKMLTUBP-HSUXUTPPSA-N
database_cross_reference: KEGG:C00493
database_cross_reference: KNApSAcK:C00001203
has_related_synonym: L-shikimic acid
has_related_synonym: O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O
database_cross_reference: PDBeChem:SKM
database_cross_reference: PMID:24190737
database_cross_reference: PMID:24628944
database_cross_reference: PMID:24783849
database_cross_reference: PMID:24836188
database_cross_reference: PMID:24894540
database_cross_reference: PMID:24981409
database_cross_reference: Reaxys:2210055
has_related_synonym: Shikimate
has_exact_synonym: Shikimic acid
database_cross_reference: Wikipedia:Shikimic_acid
has_related_synonym: [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ammonia
type: Class
subclass of: azane
subclass of: mononuclear parent hydride
subclass of: Restriction
  on property: has role
  some values from: refrigerant
has_related_synonym: 17.03056
has_exact_synonym: AMMONIA
has_exact_synonym: Ammonia
has_related_synonym: Ammoniak
definition: An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
database_cross_reference: Beilstein:3587154
database_cross_reference: CAS:7664-41-7
has_alternative_id: CHEBI:13405
has_alternative_id: CHEBI:13406
has_alternative_id: CHEBI:13407
has_alternative_id: CHEBI:13771
id: CHEBI:16134
has_alternative_id: CHEBI:22533
has_alternative_id: CHEBI:44269
has_alternative_id: CHEBI:44284
has_alternative_id: CHEBI:44404
has_alternative_id: CHEBI:7434
database_cross_reference: Gmelin:79
has_related_synonym: H3N
database_cross_reference: HMDB:HMDB00051
has_related_synonym: InChI=1S/H3N/h1H3
database_cross_reference: KEGG:C00014
database_cross_reference: KEGG:D02916
database_cross_reference: KNApSAcK:C00007267
database_cross_reference: MetaCyc:AMMONIA
database_cross_reference: MolBase:930
has_related_synonym: NH3
database_cross_reference: PDBeChem:NH3
database_cross_reference: PMID:110589
database_cross_reference: PMID:11139349
database_cross_reference: PMID:11540049
database_cross_reference: PMID:11746427
database_cross_reference: PMID:11783653
database_cross_reference: PMID:13753780
database_cross_reference: PMID:14663195
database_cross_reference: PMID:15092448
database_cross_reference: PMID:15094021
database_cross_reference: PMID:15554424
database_cross_reference: PMID:15969015
database_cross_reference: PMID:16008360
database_cross_reference: PMID:16050680
database_cross_reference: PMID:16348008
database_cross_reference: PMID:16349403
database_cross_reference: PMID:16614889
database_cross_reference: PMID:16664306
database_cross_reference: PMID:16842901
database_cross_reference: PMID:17025297
database_cross_reference: PMID:17439666
database_cross_reference: PMID:17569513
database_cross_reference: PMID:17737668
database_cross_reference: PMID:18670398
database_cross_reference: PMID:22002069
database_cross_reference: PMID:22081570
database_cross_reference: PMID:22088435
database_cross_reference: PMID:22100291
database_cross_reference: PMID:22130175
database_cross_reference: PMID:22150211
database_cross_reference: PMID:22240068
database_cross_reference: PMID:22290316
database_cross_reference: PMID:22342082
database_cross_reference: PMID:22385337
database_cross_reference: PMID:22443779
database_cross_reference: PMID:22560242
has_related_synonym: QGZKDVFQNNGYKY-UHFFFAOYSA-N
has_related_synonym: R-717
database_cross_reference: Reaxys:3587154
database_cross_reference: Wikipedia:Ammonia
has_related_synonym: [H]N([H])[H]
has_related_synonym: [NH3]
has_exact_synonym: ammonia
has_related_synonym: ammoniac
has_related_synonym: amoniaco
has_exact_synonym: azane
has_obo_namespace: chebi_ontology
has_related_synonym: spirit of hartshorn
imported from: chebi.owl

heptadecane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 240.46774
definition: A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa.
database_cross_reference: Beilstein:1738898
has_related_synonym: C17H36
database_cross_reference: CAS:629-78-7
has_related_synonym: CCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]15-CH3
has_alternative_id: CHEBI:14393
id: CHEBI:16148
has_alternative_id: CHEBI:24511
has_alternative_id: CHEBI:5671
database_cross_reference: HMDB:HMDB59830
has_exact_synonym: Heptadecane
has_related_synonym: Heptadekan
has_related_synonym: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
database_cross_reference: KEGG:C01816
database_cross_reference: KNApSAcK:C00030472
database_cross_reference: LIPID_MAPS_instance:LMFA11000003
database_cross_reference: MetaCyc:HEPTADECANE-CPD
has_related_synonym: NDJKXXJCMXVBJW-UHFFFAOYSA-N
database_cross_reference: PMID:19296389
database_cross_reference: PMID:24354326
database_cross_reference: Reaxys:1738898
database_cross_reference: Wikipedia:Heptadecane
has_obo_namespace: chebi_ontology
has_exact_synonym: heptadecane
has_related_synonym: n-heptadecane
imported from: chebi.owl

benzoate
type: Class
subclass of: benzoates
subclass of: Restriction
  on property: is conjugate base of
  some values from: benzoic acid
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 121.11340
database_cross_reference: Beilstein:1862486
has_related_synonym: Benzenecarboxylate
has_related_synonym: Benzeneformate
has_related_synonym: Benzenemethanoate
has_related_synonym: C7H5O2
database_cross_reference: CAS:766-76-7
has_alternative_id: CHEBI:13879
id: CHEBI:16150
has_alternative_id: CHEBI:22717
database_cross_reference: Gmelin:2945
database_cross_reference: HMDB:HMDB01870
has_related_synonym: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
database_cross_reference: KEGG:C00180
database_cross_reference: MetaCyc:BENZOATE
has_related_synonym: Phenylcarboxylate
has_related_synonym: Phenylformate
database_cross_reference: Reaxys:1862486
definition: The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.
database_cross_reference: UM-BBD_compID:c0121
has_related_synonym: WPYMKLBDIGXBTP-UHFFFAOYSA-M
has_related_synonym: [O-]C(=O)c1ccccc1
has_exact_synonym: benzoate
has_related_synonym: benzoate anion
has_related_synonym: benzoic acid, ion(1-)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

retinyl ester
type: Class
subclass of: retinoid
subclass of: carboxylic ester
has_related_synonym: 313.45380
definition: A carboxylic ester obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid.
has_related_synonym: C21H29O2R
has_alternative_id: CHEBI:15039
id: CHEBI:16179
has_alternative_id: CHEBI:26540
has_alternative_id: CHEBI:8818
has_exact_synonym: Retinyl ester
has_obo_namespace: chebi_ontology
has_exact_synonym: retinyl ester
has_related_synonym: retinyl esters
imported from: chebi.owl

oleic acid
type: Class
subclass of: octadec-9-enoic acid
subclass of: Restriction
  on property: has parent hydride
  some values from: cis-octadec-9-ene
subclass of: Restriction
  on property: is conjugate acid of
  some values from: oleate
subclass of: Restriction
  on property: has role
  some values from: solvent
subclass of: Restriction
  on property: has role
  some values from: EC 3.1.1.1 (carboxylesterase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia galeata metabolite
has_related_synonym: (9Z)-Octadecenoic acid
has_exact_synonym: (9Z)-octadec-9-enoic acid
has_related_synonym: (Z)-Octadec-9-enoic acid
has_related_synonym: 18:1 n-9
has_related_synonym: 18:1Delta9cis
has_related_synonym: 282.46140
definition: An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.
database_cross_reference: Beilstein:1726542
has_related_synonym: C18:1 n-9
has_related_synonym: C18H34O2
database_cross_reference: CAS:112-80-1
has_related_synonym: CCCCCCCC\C=C/CCCCCCCC(O)=O
has_alternative_id: CHEBI:104361
id: CHEBI:16196
has_alternative_id: CHEBI:25664
has_alternative_id: CHEBI:44741
has_alternative_id: CHEBI:7741
database_cross_reference: DrugBank:DB04224
database_cross_reference: ECMDB:ECMDB21348
database_cross_reference: Gmelin:109551
database_cross_reference: Gmelin:57556
database_cross_reference: HMDB:HMDB00207
has_related_synonym: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
database_cross_reference: KEGG:C00712
database_cross_reference: KEGG:D02315
database_cross_reference: KNApSAcK:C00001232
database_cross_reference: LIPID_MAPS_instance:LMFA01030002
has_exact_synonym: OLEIC ACID
has_related_synonym: Octadec-9-enoic acid
has_related_synonym: Oelsaeure
has_related_synonym: Oleate
has_exact_synonym: Oleic acid
database_cross_reference: PDBeChem:OLA
database_cross_reference: PMID:11304127
database_cross_reference: PMID:15325315
database_cross_reference: PMID:15723125
database_cross_reference: PMID:18772370
database_cross_reference: PMID:19761868
database_cross_reference: PMID:23844805
database_cross_reference: PMID:24819471
database_cross_reference: PMID:25794012
database_cross_reference: PMID:5332408
database_cross_reference: PMID:6205897
database_cross_reference: Reaxys:1726542
database_cross_reference: Wikipedia:Oleic_acid
has_related_synonym: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: cis-9-octadecenoic acid
has_related_synonym: cis-Delta(9)-octadecenoic acid
has_related_synonym: cis-oleic acid
imported from: chebi.owl

ethanol
type: Class
subclass of: ethanols
subclass of: alkyl alcohol
subclass of: Restriction
  on property: has role
  some values from: central nervous system depressant
has_related_synonym: 1-hydroxyethane
has_related_synonym: 46.06844
definition: A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group.
has_related_synonym: Aethanol
has_related_synonym: Aethylalkohol
has_related_synonym: Alkohol
database_cross_reference: Beilstein:1718733
has_related_synonym: C2H5OH
has_related_synonym: C2H6O
database_cross_reference: CAS:64-17-5
has_related_synonym: CCO
has_alternative_id: CHEBI:14222
id: CHEBI:16236
has_alternative_id: CHEBI:23978
has_alternative_id: CHEBI:30878
has_alternative_id: CHEBI:30880
has_alternative_id: CHEBI:42377
has_alternative_id: CHEBI:44594
has_alternative_id: CHEBI:4879
has_related_synonym: Dehydrated ethanol
database_cross_reference: DrugBank:DB00898
has_exact_synonym: ETHANOL
has_related_synonym: EtOH
has_exact_synonym: Ethanol
has_related_synonym: Ethyl alcohol
database_cross_reference: Gmelin:787
database_cross_reference: HMDB:HMDB00108
has_related_synonym: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
database_cross_reference: KEGG:C00469
database_cross_reference: KEGG:D00068
database_cross_reference: KEGG:D06542
database_cross_reference: KNApSAcK:C00019560
has_related_synonym: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
database_cross_reference: MetaCyc:ETOH
has_related_synonym: Methylcarbinol
database_cross_reference: MolBase:858
database_cross_reference: MolBase:859
database_cross_reference: PDBeChem:EOH
database_cross_reference: PDBeChem:OHE
database_cross_reference: PMID:11046114
database_cross_reference: PMID:11090978
database_cross_reference: PMID:11198720
database_cross_reference: PMID:11200745
database_cross_reference: PMID:11262320
database_cross_reference: PMID:11303910
database_cross_reference: PMID:11333032
database_cross_reference: PMID:11505026
database_cross_reference: PMID:11590970
database_cross_reference: PMID:11728426
database_cross_reference: PMID:11750186
database_cross_reference: PMID:11754521
database_cross_reference: PMID:11810019
database_cross_reference: PMID:11826039
database_cross_reference: PMID:11981228
database_cross_reference: PMID:12824058
database_cross_reference: PMID:12829422
database_cross_reference: PMID:12888778
database_cross_reference: PMID:12946583
database_cross_reference: PMID:14674846
database_cross_reference: PMID:15019421
database_cross_reference: PMID:15239123
database_cross_reference: PMID:15285839
database_cross_reference: PMID:15464411
database_cross_reference: PMID:15465973
database_cross_reference: PMID:15749123
database_cross_reference: PMID:15900217
database_cross_reference: PMID:15902919
database_cross_reference: PMID:16084479
database_cross_reference: PMID:16133132
database_cross_reference: PMID:16352430
database_cross_reference: PMID:16390872
database_cross_reference: PMID:16737463
database_cross_reference: PMID:16891664
database_cross_reference: PMID:16934862
database_cross_reference: PMID:17043811
database_cross_reference: PMID:17190852

quercetin
type: Class
subclass of: pentahydroxyflavone
subclass of: 7-hydroxyflavonol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: is conjugate acid of
  some values from: quercetin-7-olate
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor
subclass of: Restriction
  on property: has role
  some values from: protein kinase inhibitor
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_related_synonym: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
has_related_synonym: 3,3',4',5,7-pentahydroxyflavone
has_related_synonym: 3,5,7,3',4'-PENTAHYDROXYFLAVONE
has_related_synonym: 3,5,7,3',4'-Pentahydroxyflavone
has_related_synonym: 302.23570
definition: A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions.
database_cross_reference: Beilstein:317313
has_related_synonym: C15H10O7
database_cross_reference: CAS:117-39-5
has_alternative_id: CHEBI:11704
has_alternative_id: CHEBI:14991
id: CHEBI:16243
has_alternative_id: CHEBI:26472
has_alternative_id: CHEBI:45280
has_alternative_id: CHEBI:8696
database_cross_reference: DrugBank:DB04216
database_cross_reference: Gmelin:579210
database_cross_reference: HMDB:HMDB05794
has_related_synonym: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
database_cross_reference: KEGG:C00389
database_cross_reference: KNApSAcK:C00004631
database_cross_reference: LINCS:LSM-4199
database_cross_reference: LIPID_MAPS_instance:LMPK12110004
database_cross_reference: MetaCyc:CPD-520
has_related_synonym: Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
database_cross_reference: PDBeChem:QUE
database_cross_reference: PMID:18549926
database_cross_reference: PMID:18564899
database_cross_reference: PMID:18579649
database_cross_reference: PMID:22920589
database_cross_reference: PMID:23342112
database_cross_reference: PMID:23359794
database_cross_reference: Patent:KR20120121684
database_cross_reference: Patent:US2013012577
has_exact_synonym: Quercetin
has_related_synonym: REFJWTPEDVJJIY-UHFFFAOYSA-N
database_cross_reference: Reaxys:317313
database_cross_reference: Wikipedia:Quercetin
has_obo_namespace: chebi_ontology
has_related_synonym: sophoretin
has_related_synonym: xanthaurine
imported from: chebi.owl

phospholipid
type: Class
subclass of: lipid
subclass of: organic phosphate
subclass of: phosphoric ester
subclass of: Restriction
  on property: is conjugate acid of
  some values from: anionic phospholipid
definition: A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides.
has_related_synonym: C5H6O8PR3
has_alternative_id: CHEBI:14816
id: CHEBI:16247
has_alternative_id: CHEBI:26063
has_alternative_id: CHEBI:8150
database_cross_reference: KEGG:C00865
has_exact_synonym: Phospholipid
has_obo_namespace: chebi_ontology
has_related_synonym: phospholipid derivative
has_related_synonym: phospholipids
imported from: chebi.owl

adenosine
type: Class
subclass of: adenosines
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: adenine
subclass of: Restriction
  on property: has role
  some values from: anti-arrhythmia drug
subclass of: Restriction
  on property: has role
  some values from: vasodilator agent
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has role
  some values from: analgesic
has_related_synonym: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
has_related_synonym: 267.24152
has_related_synonym: 6-Amino-9-beta-D-ribofuranosyl-9H-purine
has_related_synonym: 9-beta-D-Ribofuranosidoadenine
has_related_synonym: 9-beta-D-Ribofuranosyl-9H-purin-6-amine
has_related_synonym: 9-beta-D-ribofuranosyl-9H-purin-6-amine
definition: A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond.
has_exact_synonym: ADENOSINE
has_related_synonym: Ade-Rib
has_related_synonym: Adenine Deoxyribonucleoside
has_related_synonym: Adenocard
has_related_synonym: Adenocor
has_related_synonym: Adenoscan
has_related_synonym: Adenosin
has_exact_synonym: Adenosine
has_related_synonym: Adenyldeoxyriboside
has_related_synonym: Ado
database_cross_reference: Beilstein:93029
has_related_synonym: C10H13N5O4
database_cross_reference: CAS:58-61-7
has_alternative_id: CHEBI:13734
id: CHEBI:16335
has_alternative_id: CHEBI:22237
has_alternative_id: CHEBI:2472
has_alternative_id: CHEBI:40558
has_alternative_id: CHEBI:40825
has_alternative_id: CHEBI:40906
has_related_synonym: Deoxyadenosine
has_related_synonym: Desoxyadenosine
database_cross_reference: DrugBank:DB00640
database_cross_reference: ECMDB:ECMDB00050
database_cross_reference: Gmelin:53385
database_cross_reference: HMDB:HMDB00050
has_related_synonym: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
database_cross_reference: KEGG:C00212
database_cross_reference: KEGG:D00045
database_cross_reference: KNApSAcK:C00007444
database_cross_reference: LINCS:LSM-28568
database_cross_reference: MetaCyc:ADENOSINE
has_related_synonym: OIRDTQYFTABQOQ-KQYNXXCUSA-N
database_cross_reference: PDBeChem:ADN
database_cross_reference: PMID:11213237
database_cross_reference: PMID:11820865
database_cross_reference: PMID:11978011
database_cross_reference: PMID:16183671
database_cross_reference: PMID:16917093
database_cross_reference: PMID:17190852
database_cross_reference: PMID:18000974
database_cross_reference: PMID:323854
database_cross_reference: Reaxys:93029
database_cross_reference: Wikipedia:Adenosine
database_cross_reference: YMDB:YMDB00058
has_exact_synonym: adenosine
has_related_synonym: beta-D-Adenosine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-threonine
type: Class
subclass of: D-alpha-amino acid
subclass of: threonine
subclass of: Restriction
  on property: is conjugate acid of
  some values from: D-threoninate
subclass of: Restriction
  on property: is conjugate base of
  some values from: D-threoninium
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: D-threonine zwitterion
subclass of: Restriction
  on property: is enantiomer of
  some values from: L-threonine
has_related_synonym: (2R,3S)-2-amino-3-hydroxybutanoic acid
has_related_synonym: 119.11920
has_related_synonym: AYFVYJQAPQTCCC-STHAYSLISA-N
definition: An optically active form of threonine having D-configuration.
database_cross_reference: Beilstein:1721643
database_cross_reference: Beilstein:4656043
has_related_synonym: C4H9NO3
database_cross_reference: CAS:632-20-2
has_alternative_id: CHEBI:13027
id: CHEBI:16398
has_alternative_id: CHEBI:21107
has_alternative_id: CHEBI:42146
has_alternative_id: CHEBI:42196
has_alternative_id: CHEBI:42224
has_alternative_id: CHEBI:4254
has_alternative_id: CHEBI:45935
has_alternative_id: CHEBI:45990
has_related_synonym: C[C@H](O)[C@@H](N)C(O)=O
has_related_synonym: D-2-Amino-3-hydroxybutyric acid
has_exact_synonym: D-THREONINE
has_related_synonym: D-Threonin
has_exact_synonym: D-Threonine
has_exact_synonym: D-threonine
has_related_synonym: DTH
database_cross_reference: DrugBank:DB03700
database_cross_reference: ECMDB:ECMDB21519
database_cross_reference: Gmelin:874136
database_cross_reference: HMDB:HMDB13775
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
database_cross_reference: KEGG:C00820
database_cross_reference: PDBeChem:DTH
database_cross_reference: PMID:15375647
database_cross_reference: PMID:17081141
database_cross_reference: PMID:22176976
database_cross_reference: Reaxys:1721643
database_cross_reference: YMDB:YMDB00802
has_obo_namespace: chebi_ontology
imported from: chebi.owl

trans-caffeic acid
type: Class
subclass of: caffeic acid
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: trans-caffeate
has_exact_synonym: (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
has_related_synonym: 180.15740
has_related_synonym: 3,4-Dihydroxy-trans-cinnamate
has_related_synonym: 3,4-Dihydroxycinnamic acid
has_related_synonym: 3,4-dihydroxy-trans-cinnamate
database_cross_reference: Beilstein:1954563
has_related_synonym: C9H8O4
has_related_synonym: CAFFEIC ACID
database_cross_reference: CAS:331-39-5
database_cross_reference: CAS:501-16-6
has_alternative_id: CHEBI:11691
has_alternative_id: CHEBI:11692
has_alternative_id: CHEBI:12870
has_alternative_id: CHEBI:1379
id: CHEBI:16433
has_alternative_id: CHEBI:19877
has_alternative_id: CHEBI:41964
has_related_synonym: Caffeic acid
database_cross_reference: HMDB:HMDB01964
has_related_synonym: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
database_cross_reference: KEGG:C01197
database_cross_reference: KEGG:C01481
database_cross_reference: KNApSAcK:C00000615
has_related_synonym: OC(=O)\C=C\c1ccc(O)c(O)c1
database_cross_reference: PDBeChem:DHC
has_related_synonym: QAIPRVGONGVQAS-DUXPYHPUSA-N
database_cross_reference: Reaxys:1954563
definition: The trans-isomer of caffeic acid.
database_cross_reference: Wikipedia:Caffeic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: trans-Caffeate
has_related_synonym: trans-caffeate
imported from: chebi.owl

alanine
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has functional parent
  some values from: propionic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: alaninate
subclass of: Restriction
  on property: is tautomer of
  some values from: alanine zwitterion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: alaninium
has_related_synonym: 2-Aminopropanoic acid
has_related_synonym: 2-Aminopropionic acid
has_exact_synonym: 2-aminopropanoic acid
has_related_synonym: 89.09322
has_related_synonym: A
has_related_synonym: ALA
has_related_synonym: Alanin
has_exact_synonym: Alanine
definition: An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.
database_cross_reference: Beilstein:635807
has_related_synonym: C3H7NO2
database_cross_reference: CAS:302-72-7
has_related_synonym: CC(N)C(O)=O
has_alternative_id: CHEBI:13748
id: CHEBI:16449
has_alternative_id: CHEBI:22277
has_alternative_id: CHEBI:2539
database_cross_reference: Gmelin:2449
has_related_synonym: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
database_cross_reference: KEGG:C01401
database_cross_reference: PMID:17439666
database_cross_reference: PMID:22264337
has_related_synonym: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
database_cross_reference: Reaxys:635807
database_cross_reference: Wikipedia:Alanine
has_related_synonym: alanina
has_exact_synonym: alanine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

naphthalene
type: Class
subclass of: naphthalenes
subclass of: ortho-fused bicyclic arene
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: apoptosis inhibitor
subclass of: Restriction
  on property: has role
  some values from: environmental contaminant
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: carcinogenic agent
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 128.17052
definition: An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.
database_cross_reference: Beilstein:1421310
has_related_synonym: C10H8
database_cross_reference: CAS:91-20-3
has_alternative_id: CHEBI:14638
id: CHEBI:16482
has_alternative_id: CHEBI:25469
has_alternative_id: CHEBI:44619
has_alternative_id: CHEBI:7472
database_cross_reference: Gmelin:3347
database_cross_reference: HMDB:HMDB29751
has_related_synonym: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
database_cross_reference: KEGG:C00829
database_cross_reference: KNApSAcK:C00001259
database_cross_reference: MetaCyc:NAPHTHALENE
has_exact_synonym: NAPHTHALENE
has_related_synonym: Naphthalen
has_exact_synonym: Naphthalene
has_related_synonym: Naphthalin
database_cross_reference: PDBeChem:NPY
database_cross_reference: PMID:10814889
database_cross_reference: PMID:11202734
database_cross_reference: PMID:16220979
database_cross_reference: PMID:16699520
database_cross_reference: PMID:17850896
database_cross_reference: PMID:26875834
database_cross_reference: PMID:26895256
database_cross_reference: PMID:27439360
database_cross_reference: Reaxys:1421310
has_related_synonym: UFWIBTONFRDIAS-UHFFFAOYSA-N
database_cross_reference: UM-BBD_compID:c0333
database_cross_reference: Wikipedia:Naphthalene
has_related_synonym: c1ccc2ccccc2c1
has_obo_namespace: chebi_ontology
has_related_synonym: naftaleno
has_related_synonym: naftalina
has_related_synonym: naphtalene
has_related_synonym: naphtaline
has_exact_synonym: naphthalene
imported from: chebi.owl

spermidine
type: Class
subclass of: triamine
subclass of: polyazaalkane
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: spermidine(3+)
has_related_synonym: 1,5,10-triazadecane
has_related_synonym: 145.24598
has_related_synonym: 4-azaoctamethylenediamine
has_related_synonym: 4-azaoctane-1,8-diamine
definition: A triamine that is the 1,5,10-triaza derivative of decane.
has_related_synonym: ATHGHQPFGPMSJY-UHFFFAOYSA-N
database_cross_reference: Beilstein:1698591
has_related_synonym: C7H19N3
database_cross_reference: CAS:124-20-9
has_alternative_id: CHEBI:15095
has_alternative_id: CHEBI:15097
id: CHEBI:16610
has_alternative_id: CHEBI:26732
has_alternative_id: CHEBI:26733
has_alternative_id: CHEBI:45647
has_alternative_id: CHEBI:9218
database_cross_reference: DrugBank:DB03566
database_cross_reference: Gmelin:454510
database_cross_reference: HMDB:HMDB01257
has_related_synonym: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
database_cross_reference: KEGG:C00315
database_cross_reference: KNApSAcK:C00001431
database_cross_reference: LINCS:LSM-37075
database_cross_reference: MetaCyc:SPERMIDINE
has_related_synonym: N-(3-Aminopropyl)-1,4-butane-diamine
has_exact_synonym: N-(3-aminopropyl)butane-1,4-diamine
has_related_synonym: NCCCCNCCCN
database_cross_reference: PDBeChem:SPD
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:1698591
has_exact_synonym: SPERMIDINE
has_related_synonym: Spermidin
has_exact_synonym: Spermidine
database_cross_reference: Wikipedia:Spermidine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

vanillate
type: Class
subclass of: methoxybenzoate
subclass of: monohydroxybenzoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: vanillic acid
has_related_synonym: 167.13878
has_related_synonym: 4-HYDROXY-3-METHOXYBENZOATE
has_exact_synonym: 4-hydroxy-3-methoxybenzoate
definition: A methoxybenzoate that is the conjugate base of vanillic acid.
database_cross_reference: Beilstein:6504377
has_related_synonym: C8H7O4
has_alternative_id: CHEBI:15301
id: CHEBI:16632
has_alternative_id: CHEBI:27277
has_alternative_id: CHEBI:46315
has_related_synonym: COc1cc(ccc1O)C([O-])=O
database_cross_reference: DrugBank:DB08711
has_related_synonym: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
database_cross_reference: KEGG:C06672
database_cross_reference: PDBeChem:VNL
database_cross_reference: Reaxys:6504377
database_cross_reference: UM-BBD_compID:c0194
has_related_synonym: WKOLLVMJNQIZCI-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_exact_synonym: vanillate
imported from: chebi.owl

D-abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid
type: Class
subclass of: phosphatidyl oligosaccharide
has_related_synonym: 3,6-dideoxy-D-xylo-hexosyl-D-mannosyl-rhamnosyl-D-galactose 1-diphospholipid
has_alternative_id: CHEBI:12898
id: CHEBI:16640
has_alternative_id: CHEBI:22142
has_alternative_id: CHEBI:4085
has_exact_synonym: D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid
has_exact_synonym: D-abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid
database_cross_reference: KEGG:C04808
has_related_synonym: PTVYOHQZLXNCIG-IXAGMXAFSA-N
has_related_synonym: abequosyl-D-mannosyl-rhamnosyl-D-galactose 1-diphospholipid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrate
type: Class
subclass of: carbohydrates and carbohydrate derivatives
definition: Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates.
has_alternative_id: CHEBI:15131
id: CHEBI:16646
has_alternative_id: CHEBI:23008
has_alternative_id: CHEBI:9318
has_related_synonym: Kohlenhydrat
has_related_synonym: Kohlenhydrate
database_cross_reference: Wikipedia:Carbohydrate
has_related_synonym: carbohidrato
has_related_synonym: carbohidratos
has_exact_synonym: carbohydrate
has_exact_synonym: carbohydrates
has_obo_namespace: chebi_ontology
has_related_synonym: glucide
has_related_synonym: glucides
has_related_synonym: glucido
has_related_synonym: glucidos
has_related_synonym: hydrates de carbone
has_related_synonym: saccharide
has_related_synonym: saccharides
has_related_synonym: saccharidum
imported from: chebi.owl

(S)-lactate
type: Class
subclass of: lactate
subclass of: Restriction
  on property: is conjugate base of
  some values from: (S)-lactic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (R)-lactate
has_related_synonym: (+)-lactate
has_exact_synonym: (2S)-2-hydroxypropanoate
has_exact_synonym: (S)-lactate
has_related_synonym: 89.07000
definition: An optically active form of lactate having (S)-configuration.
database_cross_reference: Beilstein:4655977
has_related_synonym: C3H5O3
has_alternative_id: CHEBI:11065
has_alternative_id: CHEBI:12411
id: CHEBI:16651
has_alternative_id: CHEBI:18783
has_related_synonym: C[C@H](O)C([O-])=O
database_cross_reference: Gmelin:324523
has_related_synonym: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1
has_related_synonym: JVTAAEKCZFNVCJ-REOHCLBHSA-M
database_cross_reference: KEGG:C00186
has_related_synonym: L(+)-lactate
has_related_synonym: L-(+)-lactate
has_related_synonym: L-lactate
database_cross_reference: MetaCyc:L-LACTATE
database_cross_reference: Reaxys:4655977
database_cross_reference: UM-BBD_compID:c0152
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleoside 5'-phosphate
type: Class
subclass of: mononucleotide
subclass of: Restriction
  on property: is conjugate acid of
  some values from: nucleoside 5'-phosphate dianion
has_related_synonym: 196.09510
definition: A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated.
has_related_synonym: C5H9O6PR2
has_alternative_id: CHEBI:14674
id: CHEBI:16701
has_alternative_id: CHEBI:25603
has_alternative_id: CHEBI:7650
database_cross_reference: KEGG:C01117
has_exact_synonym: Nucleoside 5'-phosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside 5'-phosphates
imported from: chebi.owl

uridine
type: Class
subclass of: uridines
subclass of: Restriction
  on property: has functional parent
  some values from: uracil
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: drug metabolite
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
has_related_synonym: 1-beta-D-ribofuranosyluracil
has_related_synonym: 244.20146
definition: A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond.
database_cross_reference: Beilstein:754904
has_related_synonym: C9H12N2O6
database_cross_reference: CAS:58-96-8
has_alternative_id: CHEBI:15296
id: CHEBI:16704
has_alternative_id: CHEBI:27227
has_alternative_id: CHEBI:46386
has_alternative_id: CHEBI:46391
has_alternative_id: CHEBI:46460
has_alternative_id: CHEBI:9893
has_related_synonym: DRTQHJPVMGBUCF-XVFCMESISA-N
database_cross_reference: DrugBank:DB02745
database_cross_reference: ECMDB:ECMDB00296
database_cross_reference: Gmelin:397474
database_cross_reference: HMDB:HMDB00296
has_related_synonym: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
database_cross_reference: KEGG:C00299
database_cross_reference: KNApSAcK:C00019674
database_cross_reference: MetaCyc:URIDINE
database_cross_reference: PDBeChem:URI
database_cross_reference: PMID:12084455
database_cross_reference: PMID:15621516
database_cross_reference: PMID:16839635
database_cross_reference: PMID:17190852
database_cross_reference: PMID:22392515
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:754904
has_exact_synonym: URIDINE
has_related_synonym: Urd
has_related_synonym: Uridin
has_exact_synonym: Uridine
database_cross_reference: Wikipedia:Uridine
database_cross_reference: YMDB:YMDB00127
has_related_synonym: beta-Uridine
has_obo_namespace: chebi_ontology
has_related_synonym: u
has_exact_synonym: uridine
imported from: chebi.owl

adenine
type: Class
subclass of: 6-aminopurines
subclass of: purine nucleobase
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: 9H-purine
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_related_synonym: 135.12690
has_related_synonym: 6-Aminopurine
has_exact_synonym: 9H-purin-6-amine
has_related_synonym: A
has_exact_synonym: ADENINE
has_related_synonym: Ade
has_related_synonym: Adenin
has_exact_synonym: Adenine
database_cross_reference: Beilstein:608603
has_related_synonym: C5H5N5
database_cross_reference: CAS:73-24-5
has_alternative_id: CHEBI:13733
id: CHEBI:16708
has_alternative_id: CHEBI:22236
has_alternative_id: CHEBI:2470
has_alternative_id: CHEBI:40579
database_cross_reference: DrugBank:DB00173
has_related_synonym: GFFGJBXGBJISGV-UHFFFAOYSA-N
database_cross_reference: Gmelin:3903
database_cross_reference: HMDB:HMDB00034
has_related_synonym: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
database_cross_reference: KEGG:C00147
database_cross_reference: KEGG:D00034
database_cross_reference: KNApSAcK:C00001490
database_cross_reference: MetaCyc:ADENINE
has_related_synonym: Nc1ncnc2[nH]cnc12
database_cross_reference: PDBeChem:ADE
database_cross_reference: PMID:17439666
database_cross_reference: PMID:8070089
database_cross_reference: Reaxys:608603
definition: The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6.
database_cross_reference: Wikipedia:Adenine
has_exact_synonym: adenine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzene
type: Class
subclass of: benzenes
subclass of: aromatic annulene
subclass of: Restriction
  on property: has role
  some values from: non-polar solvent
subclass of: Restriction
  on property: has role
  some values from: environmental contaminant
subclass of: Restriction
  on property: has role
  some values from: carcinogenic agent
has_related_synonym: 78.11184
definition: A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.
has_exact_synonym: BENZENE
database_cross_reference: Beilstein:969212
has_related_synonym: Benzen
has_exact_synonym: Benzene
has_related_synonym: Benzine
has_related_synonym: Benzol
has_related_synonym: Bicarburet of hydrogen
has_related_synonym: C6H6
database_cross_reference: CAS:71-43-2
has_alternative_id: CHEBI:13876
id: CHEBI:16716
has_alternative_id: CHEBI:22703
has_alternative_id: CHEBI:3025
has_alternative_id: CHEBI:41187
has_related_synonym: Coal naphtha
database_cross_reference: Gmelin:1671
database_cross_reference: HMDB:HMDB01505
has_related_synonym: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
database_cross_reference: KEGG:C01407
has_related_synonym: Mineral naphtha
database_cross_reference: PDBeChem:BNZ
database_cross_reference: PMID:11684179
database_cross_reference: PMID:11993966
database_cross_reference: PMID:12857942
database_cross_reference: PMID:14677922
database_cross_reference: PMID:15468289
database_cross_reference: PMID:15935818
database_cross_reference: PMID:16161967
database_cross_reference: PMID:17373369
database_cross_reference: PMID:18072742
database_cross_reference: PMID:18407866
database_cross_reference: PMID:18409691
database_cross_reference: PMID:18836923
database_cross_reference: PMID:19228219
database_cross_reference: PMID:21325737
database_cross_reference: PMID:23088855
database_cross_reference: PMID:23222815
database_cross_reference: PMID:23534829
database_cross_reference: PMID:6353911
database_cross_reference: PMID:8124204
has_related_synonym: Phene
has_related_synonym: Pyrobenzol
has_related_synonym: Pyrobenzole
database_cross_reference: Reaxys:969212
has_related_synonym: UHOVQNZJYSORNB-UHFFFAOYSA-N
database_cross_reference: UM-BBD_compID:c0142
database_cross_reference: Wikipedia:Benzene
has_related_synonym: [6]annulene
has_exact_synonym: benzene
has_related_synonym: benzole
has_related_synonym: c1ccccc1
has_obo_namespace: chebi_ontology
has_related_synonym: cyclohexatriene
has_related_synonym: phenyl hydride
imported from: chebi.owl

D-alpha-amino acid
type: Class
subclass of: non-proteinogenic alpha-amino acid
subclass of: Restriction
  on property: is tautomer of
  some values from: D-alpha-amino acid zwitterion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: D-alpha-amino acid anion
has_related_synonym: 74.05870
has_related_synonym: C2H4NO2R
has_alternative_id: CHEBI:12909
has_alternative_id: CHEBI:13625
id: CHEBI:16733
has_alternative_id: CHEBI:20906
has_alternative_id: CHEBI:4097
has_related_synonym: D-Amino acid
has_exact_synonym: D-alpha-amino acid
has_exact_synonym: D-alpha-amino acids
has_related_synonym: D-alpha-amino acids
database_cross_reference: KEGG:C00405
has_related_synonym: N[C@H]([*])C(O)=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-furoate
type: Class
subclass of: furancarboxylate
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: bacterial xenobiotic metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: 2-furoic acid
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: 111.07610
definition: A furancarboxylate that is the conjugate base of 2-furoic acid.
database_cross_reference: Beilstein:1366018
has_related_synonym: C5H3O3
has_alternative_id: CHEBI:11577
id: CHEBI:16739
has_alternative_id: CHEBI:19582
database_cross_reference: Gmelin:326316
has_related_synonym: InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1
database_cross_reference: KEGG:C01546
has_related_synonym: SMNDYUVBFMFKNZ-UHFFFAOYSA-M
has_related_synonym: [O-]C(=O)c1ccco1
has_obo_namespace: chebi_ontology
has_exact_synonym: furan-2-carboxylate
imported from: chebi.owl

ADP
type: Class
subclass of: purine ribonucleoside 5'-diphosphate
subclass of: adenosine 5'-phosphate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: ADP(3-)
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: ADP(2-)
has_related_synonym: 427.20110
has_related_synonym: 5'-adenylphosphoric acid
definition: A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase.
has_related_synonym: ADENOSINE-5'-DIPHOSPHATE
has_exact_synonym: ADP
has_related_synonym: Adenosine 5'-diphosphate
database_cross_reference: Beilstein:67722
has_related_synonym: C10H15N5O10P2
database_cross_reference: CAS:20398-34-9
database_cross_reference: CAS:58-64-0
has_alternative_id: CHEBI:13222
id: CHEBI:16761
has_alternative_id: CHEBI:22244
has_alternative_id: CHEBI:2342
has_alternative_id: CHEBI:40553
database_cross_reference: COMe:MOL000173
database_cross_reference: DrugBank:DB03431
database_cross_reference: Gmelin:88452
has_related_synonym: H3adp
database_cross_reference: KEGG:C00008
database_cross_reference: KEGG:G11113
database_cross_reference: KNApSAcK:C00019353
database_cross_reference: PDBeChem:ADP
database_cross_reference: PMID:16295522
database_cross_reference: Reaxys:67722
has_related_synonym: XTWYTFMLZFPYCI-KQYNXXCUSA-N
has_exact_synonym: adenosine 5'-(trihydrogen diphosphate)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tryptamine
type: Class
subclass of: tryptamines
subclass of: aminoalkylindole
subclass of: indole alkaloid
subclass of: aralkylamino compound
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: tryptaminium
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 160.21570
has_related_synonym: 1H-indole-3-ethanamine
has_related_synonym: 2-(1H-INDOL-3-YL)ETHANAMINE
has_exact_synonym: 2-(1H-indol-3-yl)ethanamine
has_related_synonym: 2-(3-indolyl)ethylamine
has_related_synonym: 3-(2-Aminoethyl)indole
has_related_synonym: APJYDQYYACXCRM-UHFFFAOYSA-N
definition: An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position.
database_cross_reference: Beilstein:125513
has_related_synonym: C10H12N2
database_cross_reference: CAS:61-54-1
has_alternative_id: CHEBI:15274
id: CHEBI:16765
has_alternative_id: CHEBI:27161
has_alternative_id: CHEBI:46157
has_alternative_id: CHEBI:9767
database_cross_reference: DrugBank:DB08653
database_cross_reference: Gmelin:603448
database_cross_reference: HMDB:HMDB00303
has_related_synonym: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
database_cross_reference: KEGG:C00398
database_cross_reference: KNApSAcK:C00001434
database_cross_reference: MetaCyc:TRYPTAMINE
has_related_synonym: NCCc1c[nH]c2ccccc12
database_cross_reference: PDBeChem:TSS
database_cross_reference: PMID:16126914
database_cross_reference: PMID:22770225
database_cross_reference: PMID:24345948
database_cross_reference: PMID:24558969
database_cross_reference: Reaxys:125513
has_exact_synonym: Tryptamine
database_cross_reference: Wikipedia:Tryptamine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

melatonin
type: Class
subclass of: acetamides
subclass of: tryptamines
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: immunological adjuvant
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: tryptamine
subclass of: Restriction
  on property: has role
  some values from: radical scavenger
subclass of: Restriction
  on property: has role
  some values from: hormone
subclass of: Restriction
  on property: has role
  some values from: anticonvulsant
subclass of: Restriction
  on property: has role
  some values from: central nervous system depressant
has_related_synonym: 232.27830
has_related_synonym: 5-methoxy-N-acetyltryptamine
definition: A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans.
database_cross_reference: Beilstein:205542
has_related_synonym: C13H16N2O2
database_cross_reference: CAS:73-31-4
has_alternative_id: CHEBI:14577
id: CHEBI:16796
has_alternative_id: CHEBI:25180
has_alternative_id: CHEBI:6730
has_related_synonym: COc1ccc2[nH]cc(CCNC(C)=O)c2c1
has_related_synonym: DRLFMBDRBRZALE-UHFFFAOYSA-N
database_cross_reference: DrugBank:DB01065
database_cross_reference: HMDB:HMDB01389
has_related_synonym: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
database_cross_reference: KEGG:C01598
database_cross_reference: KEGG:D08170
database_cross_reference: LINCS:LSM-4779
has_exact_synonym: Melatonin
database_cross_reference: MetaCyc:N-ACETYL-5-METHOXY-TRYPTAMINE
has_related_synonym: N-Acetyl-5-methoxytryptamine
has_exact_synonym: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
has_related_synonym: N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
database_cross_reference: PDBeChem:ML1
database_cross_reference: PMID:16678784
database_cross_reference: PMID:18212404
database_cross_reference: PMID:18485664
database_cross_reference: Reaxys:205542
database_cross_reference: Wikipedia:Melatonin
has_obo_namespace: chebi_ontology
has_exact_synonym: melatonin
has_related_synonym: melatonine
imported from: chebi.owl

2-oxoglutarate(2-)
type: Class
subclass of: oxo dicarboxylate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: glutarate(2-)
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: 2-oxoglutarate(1-)
subclass of: Restriction
  on property: has role
  some values from: cofactor
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 144.08226
has_related_synonym: 2-ketoglutarate
has_related_synonym: 2-oxoglutarate
has_exact_synonym: 2-oxopentanedioate
has_related_synonym: 2-oxopentanedioic acid, ion(2-)
definition: An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid.
database_cross_reference: Beilstein:3664503
has_related_synonym: C5H4O5
database_cross_reference: CAS:64-15-3
has_alternative_id: CHEBI:11638
id: CHEBI:16810
has_alternative_id: CHEBI:19748
database_cross_reference: Gmelin:602479
has_related_synonym: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2
database_cross_reference: KEGG:C00026
has_related_synonym: KPGXRSRHYNQIFN-UHFFFAOYSA-L
database_cross_reference: MetaCyc:2-KETOGLUTARATE
database_cross_reference: PMID:11913971
database_cross_reference: PMID:15612731
database_cross_reference: PMID:17190852
database_cross_reference: PMID:19376872
database_cross_reference: PMID:21184277
database_cross_reference: PMID:21196226
database_cross_reference: PMID:21791173
database_cross_reference: Reaxys:3664503
has_related_synonym: [O-]C(=O)CCC(=O)C([O-])=O
has_related_synonym: alpha-ketoglutarate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

methionine
type: Class
subclass of: sulfur-containing amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: methioninium
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: methionine zwitterion
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: methioninate
subclass of: Restriction
  on property: has functional parent
  some values from: butyric acid
has_related_synonym: 149.21238
has_related_synonym: 2-Amino-4-(methylthio)butyric acid
has_related_synonym: 2-amino-4-(methylsulfanyl)butanoic acid
has_related_synonym: 2-amino-4-(methylthio)butanoic acid
definition: A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.
database_cross_reference: Beilstein:636185
has_related_synonym: C5H11NO2S
database_cross_reference: CAS:59-51-8
has_alternative_id: CHEBI:14590
id: CHEBI:16811
has_alternative_id: CHEBI:25229
has_alternative_id: CHEBI:6829
has_related_synonym: CSCCC(N)C(O)=O
has_related_synonym: DL-Methionine
has_related_synonym: FFEARJCKVFRZRR-UHFFFAOYSA-N
database_cross_reference: Gmelin:3117
has_related_synonym: Hmet
has_related_synonym: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
database_cross_reference: KEGG:C01733
database_cross_reference: KEGG:D04983
has_related_synonym: M
has_related_synonym: Met
has_related_synonym: Methionin
has_exact_synonym: Methionine
database_cross_reference: PMID:16702333
database_cross_reference: PMID:22264337
database_cross_reference: PMID:2543976
has_related_synonym: Racemethionine
database_cross_reference: Reaxys:636185
database_cross_reference: UM-BBD_compID:c0094
database_cross_reference: Wikipedia:Methionine
has_related_synonym: alpha-amino-gamma-methylmercaptobutyric acid
has_obo_namespace: chebi_ontology
has_exact_synonym: methionine
has_related_synonym: metionina
imported from: chebi.owl

L-threonine
type: Class
subclass of: aspartate family amino acid
subclass of: threonine
subclass of: Restriction
  on property: is conjugate acid of
  some values from: L-threoninate
subclass of: Restriction
  on property: has role
  some values from: nutraceutical
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: L-threonine zwitterion
subclass of: Restriction
  on property: is conjugate base of
  some values from: L-threoninium
subclass of: Restriction
  on property: is enantiomer of
  some values from: D-threonine
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: micronutrient
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: (2S)-threonine
has_related_synonym: (2S,3R)-(-)-Threonine
has_related_synonym: (2S,3R)-2-amino-3-hydroxybutanoic acid
has_related_synonym: 119.11920
has_related_synonym: 2-Amino-3-hydroxybutyric acid
has_related_synonym: AYFVYJQAPQTCCC-GBXIJSLDSA-N
definition: An optically active form of threonine having L-configuration.
database_cross_reference: Beilstein:1721646
has_related_synonym: C4H9NO3
database_cross_reference: CAS:72-19-5
has_alternative_id: CHEBI:13175
id: CHEBI:16857
has_alternative_id: CHEBI:21403
has_alternative_id: CHEBI:42083
has_alternative_id: CHEBI:45843
has_alternative_id: CHEBI:45983
has_alternative_id: CHEBI:6308
has_related_synonym: C[C@@H](O)[C@H](N)C(O)=O
database_cross_reference: DrugBank:DB00156
database_cross_reference: ECMDB:ECMDB00167
database_cross_reference: Gmelin:82510
database_cross_reference: HMDB:HMDB00167
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
database_cross_reference: KEGG:C00188
database_cross_reference: KEGG:D00041
database_cross_reference: KNApSAcK:C00001394
has_related_synonym: L-(-)-Threonine
has_related_synonym: L-2-Amino-3-hydroxybutyric acid
has_related_synonym: L-Threonin
has_exact_synonym: L-Threonine
has_related_synonym: L-alpha-amino-beta-hydroxybutyric acid
has_exact_synonym: L-threonine
database_cross_reference: PDBeChem:THR
database_cross_reference: PMID:11964235
database_cross_reference: PMID:12523390
database_cross_reference: PMID:16659349
database_cross_reference: PMID:17379183
database_cross_reference: PMID:22289691
database_cross_reference: PMID:22342587
database_cross_reference: PMID:22513921
database_cross_reference: PMID:22770225
database_cross_reference: PMID:24671569
database_cross_reference: Reaxys:1721646
has_related_synonym: T
has_related_synonym: THREONINE
has_related_synonym: Thr
database_cross_reference: UM-BBD_compID:c0413
database_cross_reference: Wikipedia:Threonine
database_cross_reference: YMDB:YMDB00214
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleoside diphosphate
type: Class
subclass of: nucleoside phosphate
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: nucleoside diphosphate(3-)
has_related_synonym: 293.08240
has_related_synonym: C5H11O10P2R
has_alternative_id: CHEBI:13401
has_alternative_id: CHEBI:13662
has_alternative_id: CHEBI:14675
id: CHEBI:16862
has_alternative_id: CHEBI:25606
has_alternative_id: CHEBI:7428
has_alternative_id: CHEBI:7652
database_cross_reference: KEGG:C00454
has_related_synonym: NDP
has_exact_synonym: Nucleoside diphosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside diphosphates
imported from: chebi.owl

gamma-aminobutyric acid
type: Class
subclass of: monocarboxylic acid
subclass of: gamma-amino acid
subclass of: Restriction
  on property: has role
  some values from: neurotransmitter
subclass of: Restriction
  on property: has functional parent
  some values from: butyric acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: gamma-aminobutyrate
subclass of: Restriction
  on property: is tautomer of
  some values from: gamma-aminobutyric acid zwitterion
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: signalling molecule
has_related_synonym: 103.11980
has_related_synonym: 4-Aminobutanoic acid
has_related_synonym: 4-Aminobutyric acid
has_exact_synonym: 4-aminobutanoic acid
has_related_synonym: 4-aminobutanoic acid
has_related_synonym: 4-aminobutyric acid
has_related_synonym: 4Abu
definition: A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.
has_related_synonym: BTCSSZJGUNDROE-UHFFFAOYSA-N
database_cross_reference: Beilstein:906818
has_related_synonym: C4H9NO2
database_cross_reference: CAS:56-12-2
id: CHEBI:16865
has_alternative_id: CHEBI:1786
has_alternative_id: CHEBI:193777
has_alternative_id: CHEBI:20318
has_alternative_id: CHEBI:40483
database_cross_reference: DrugBank:DB02530
has_related_synonym: GABA
has_related_synonym: GAMMA-AMINO-BUTANOIC ACID
database_cross_reference: Gmelin:49775
database_cross_reference: HMDB:HMDB00112
has_related_synonym: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
database_cross_reference: KEGG:C00334
database_cross_reference: KEGG:D00058
database_cross_reference: KNApSAcK:C00001337
database_cross_reference: LIPID_MAPS_instance:LMFA01100039
database_cross_reference: MetaCyc:4-AMINO-BUTYRATE
has_related_synonym: NCCCC(O)=O
database_cross_reference: PDBeChem:ABU
database_cross_reference: PMID:10630630
database_cross_reference: PMID:10930630
database_cross_reference: PMID:16276116
database_cross_reference: PMID:21614609
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:906818
database_cross_reference: Wikipedia:Gamma-Aminobutyric_acid
has_obo_namespace: chebi_ontology
has_related_synonym: gamma-Aminobuttersaeure
has_exact_synonym: gamma-Aminobutyric acid
has_related_synonym: gamma-amino-n-butyric acid
has_related_synonym: gamma-aminobutanoic acid
has_exact_synonym: gamma-aminobutyric acid
has_related_synonym: omega-aminobutyric acid
has_related_synonym: piperidic acid
has_related_synonym: piperidinic acid
imported from: chebi.owl

salicylic acid
type: Class
subclass of: monohydroxybenzoic acid
subclass of: Restriction
  on property: has role
  some values from: antiinfective agent
subclass of: Restriction
  on property: is conjugate acid of
  some values from: salicylate
subclass of: Restriction
  on property: has role
  some values from: antifungal agent
subclass of: Restriction
  on property: has role
  some values from: keratolytic drug
subclass of: Restriction
  on property: has role
  some values from: plant hormone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors
has_related_synonym: 138.12070
has_related_synonym: 2-HYDROXYBENZOIC ACID
has_related_synonym: 2-carboxyphenol
has_exact_synonym: 2-hydroxybenzoic acid
definition: A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves.
database_cross_reference: Beilstein:774890
has_related_synonym: C7H6O3
database_cross_reference: CAS:69-72-7
id: CHEBI:16914
has_alternative_id: CHEBI:26597
has_alternative_id: CHEBI:45521
has_alternative_id: CHEBI:9006
database_cross_reference: DrugBank:DB00936
database_cross_reference: Gmelin:3418
database_cross_reference: HMDB:HMDB01895
has_related_synonym: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
database_cross_reference: KEGG:C00805
database_cross_reference: KEGG:D00097
database_cross_reference: KNApSAcK:C00000206
database_cross_reference: LINCS:LSM-4763
database_cross_reference: MetaCyc:CPD-110
has_related_synonym: OC(=O)c1ccccc1O
database_cross_reference: PDBeChem:SAL
database_cross_reference: PMID:11016405
database_cross_reference: PMID:12865403
database_cross_reference: PMID:1650428
database_cross_reference: PMID:19400653
database_cross_reference: PMID:19816125
database_cross_reference: PMID:22770225
database_cross_reference: PMID:3425858
database_cross_reference: Reaxys:774890
has_exact_synonym: Salicylic acid
database_cross_reference: Wikipedia:Salicylic_Acid
has_related_synonym: YGSDEFSMJLZEOE-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: o-Hydroxybenzoic acid
has_related_synonym: o-carboxyphenol
has_related_synonym: o-hydroxybenzoic acid
imported from: chebi.owl

gallate
type: Class
subclass of: trihydroxybenzoate
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: gallic acid
has_related_synonym: 169.11160
has_exact_synonym: 3,4,5-trihydroxybenzoate
definition: A trihydroxybenzoate that is the conjugate base of gallic acid.
database_cross_reference: Beilstein:3907457
has_related_synonym: C7H5O5
has_alternative_id: CHEBI:11686
has_alternative_id: CHEBI:14291
id: CHEBI:16918
has_alternative_id: CHEBI:24178
database_cross_reference: Gmelin:328003
has_related_synonym: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/p-1
database_cross_reference: KEGG:C01424
has_related_synonym: LNTHITQWFMADLM-UHFFFAOYSA-M
database_cross_reference: MetaCyc:CPD-183
has_related_synonym: Oc1cc(cc(O)c1O)C([O-])=O
database_cross_reference: Reaxys:3907457
database_cross_reference: UM-BBD_compID:c0006
has_obo_namespace: chebi_ontology
has_exact_synonym: gallate
imported from: chebi.owl

ergosterol
type: Class
subclass of: phytosterols
subclass of: 3beta-sterol
subclass of: ergostanoid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: fungal metabolite
has_exact_synonym: (22E)-ergosta-5,7,22-trien-3beta-ol
has_related_synonym: (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol
has_related_synonym: 396.64836
definition: A phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group.
database_cross_reference: Beilstein:2338604
has_related_synonym: C28H44O
database_cross_reference: CAS:57-87-4
has_alternative_id: CHEBI:14214
id: CHEBI:16933
has_alternative_id: CHEBI:23942
has_alternative_id: CHEBI:42264
has_alternative_id: CHEBI:4825
has_related_synonym: DNVPQKQSNYMLRS-APGDWVJJSA-N
database_cross_reference: DrugBank:DB04038
has_exact_synonym: ERGOSTEROL
has_exact_synonym: Ergosterol
has_related_synonym: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
database_cross_reference: KEGG:C01694
database_cross_reference: KNApSAcK:C00003652
database_cross_reference: KNApSAcK:C00023755
database_cross_reference: LIPID_MAPS_instance:LMST01030093
database_cross_reference: PDBeChem:ERG
has_related_synonym: Provitamin D2
database_cross_reference: Reaxys:2338604
has_obo_namespace: chebi_ontology
has_exact_synonym: ergosterol
imported from: chebi.owl

citrate(3-)
type: Class
subclass of: tricarboxylic acid trianion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: citrate(2-)
has_related_synonym: 189.09970
has_related_synonym: 2-hydroxy-1,2,3-propanetricarboxylate
has_related_synonym: 2-hydroxy-1,2,3-propanetricarboxylate(3-)
has_related_synonym: 2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-)
has_exact_synonym: 2-hydroxypropane-1,2,3-tricarboxylate
has_related_synonym: 2-hydroxytricarballylate
definition: A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid.
database_cross_reference: Beilstein:1884707
has_related_synonym: C6H5O7
database_cross_reference: CAS:126-44-3
has_alternative_id: CHEBI:13999
id: CHEBI:16947
has_alternative_id: CHEBI:23321
has_alternative_id: CHEBI:42563
has_related_synonym: CITRATE ANION
database_cross_reference: Gmelin:4239
has_related_synonym: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
database_cross_reference: KEGG:C00158
has_related_synonym: KRKNYBCHXYNGOX-UHFFFAOYSA-K
has_related_synonym: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
database_cross_reference: PDBeChem:FLC
database_cross_reference: Reaxys:1884707
has_obo_namespace: chebi_ontology
has_related_synonym: cit
has_related_synonym: cit(3-)
has_related_synonym: citrate
imported from: chebi.owl

geranial
type: Class
subclass of: monoterpenoid
subclass of: enal
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_exact_synonym: (2E)-3,7-dimethylocta-2,6-dienal
has_related_synonym: (E)-Citral
has_related_synonym: (E)-Geranial
has_related_synonym: 152.23340
definition: A monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7.
has_related_synonym: C10H16O
database_cross_reference: CAS:141-27-5
database_cross_reference: CAS:5392-40-5
has_related_synonym: CC(C)=CCC\C(C)=C\C=O
has_alternative_id: CHEBI:14296
id: CHEBI:16980
has_alternative_id: CHEBI:24218
has_alternative_id: CHEBI:5327
has_exact_synonym: Geranial
database_cross_reference: HMDB:HMDB35078
has_related_synonym: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
database_cross_reference: KEGG:C01499
database_cross_reference: KNApSAcK:C00003035
database_cross_reference: LIPID_MAPS_instance:LMPR0102010003
database_cross_reference: MetaCyc:GERANIAL
database_cross_reference: PMID:23938144
database_cross_reference: PMID:24682420
database_cross_reference: Reaxys:1721873
has_related_synonym: WTEVQBCEXWBHNA-JXMROGBWSA-N
has_related_synonym: alpha-Citral
has_obo_namespace: chebi_ontology
has_related_synonym: citral A
has_exact_synonym: geranial
has_related_synonym: lemonal
has_related_synonym: neral
has_related_synonym: trans-Citral
imported from: chebi.owl

oxalic acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: oxalate(1-)
subclass of: Restriction
  on property: is conjugate acid of
  some values from: oxalate
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
has_related_synonym: 90.03490
definition: An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.
database_cross_reference: Beilstein:385686
has_related_synonym: C2H2O4
database_cross_reference: CAS:144-62-7
id: CHEBI:16995
has_alternative_id: CHEBI:25730
has_alternative_id: CHEBI:44583
has_alternative_id: CHEBI:7811
database_cross_reference: DrugBank:DB03902
has_related_synonym: Ethandisaeure
has_related_synonym: Ethanedioic acid
database_cross_reference: Gmelin:2208
has_related_synonym: H2ox
database_cross_reference: HMDB:HMDB02329
has_related_synonym: HOOCCOOH
has_related_synonym: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
database_cross_reference: KEGG:C00209
database_cross_reference: KNApSAcK:C00001198
database_cross_reference: LIPID_MAPS_instance:LMFA01170031
has_related_synonym: MUBZPKHOEPUJKR-UHFFFAOYSA-N
database_cross_reference: MetaCyc:OXALATE
has_related_synonym: OC(=O)C(O)=O
has_exact_synonym: OXALIC ACID
has_exact_synonym: Oxalic acid
has_related_synonym: Oxalsaeure
database_cross_reference: PDBeChem:OXD
database_cross_reference: PMID:15587083
database_cross_reference: PMID:22735334
database_cross_reference: Reaxys:385686
database_cross_reference: Wikipedia:Oxalic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: ethane-1,2-dioic acid
has_exact_synonym: oxalic acid
imported from: chebi.owl

propane-1,2-diol
type: Class
subclass of: propane-1,2-diols
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: allergen
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: protic solvent
has_related_synonym: 1,2-Propanediol
has_related_synonym: 1,2-Propylenglykol
has_related_synonym: 1,2-dihydroxypropane
has_related_synonym: 2-hydroxypropanol
has_related_synonym: 76.09442
has_related_synonym: C3H8O2
database_cross_reference: CAS:57-55-6
has_related_synonym: CC(O)CO
has_related_synonym: CH3CH(OH)CH2OH
has_alternative_id: CHEBI:14899
id: CHEBI:16997
has_alternative_id: CHEBI:8469
has_related_synonym: DNIAPMSPPWPWGF-UHFFFAOYSA-N
database_cross_reference: DrugBank:DB01839
database_cross_reference: HMDB:HMDB01881
has_related_synonym: HOCH2CH(OH)CH3
has_related_synonym: HOCH2CH(OH)Me
has_related_synonym: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
database_cross_reference: KEGG:C00583
database_cross_reference: KEGG:D00078
database_cross_reference: KNApSAcK:C00007410
database_cross_reference: LINCS:LSM-36856
has_related_synonym: MeCH(OH)CH2OH
database_cross_reference: PMID:15665701
database_cross_reference: PMID:16078503
database_cross_reference: PMID:18346395
database_cross_reference: PMID:18845115
database_cross_reference: PMID:21616561
has_related_synonym: PPD
has_exact_synonym: Propane-1,2-diol
has_related_synonym: Propylene glycol
database_cross_reference: Reaxys:1340498
definition: The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.
database_cross_reference: Wikipedia:Propylene_glycol
has_related_synonym: alpha-propyleneglycol
has_obo_namespace: chebi_ontology
has_related_synonym: isopropylene glycol
has_related_synonym: methyl glycol
has_related_synonym: methylethyl glycol
has_related_synonym: methylethylene glycol
has_related_synonym: monopropylene glycol
has_exact_synonym: propane-1,2-diol
imported from: chebi.owl

(+)-Cassythicine
type: Class
subclass of: isoquinoline alkaloid
has_exact_synonym: (+)-Cassythicine
has_related_synonym: 325.359
definition: An isoquinoline alkaloid that has formula C19H19NO4.
has_related_synonym: C19H19NO4
database_cross_reference: CAS:5890-28-8
id: CHEBI:17
has_related_synonym: InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
database_cross_reference: KEGG:C09389
database_cross_reference: KNApSAcK:C00001834
has_related_synonym: MPWZJVCAMFAIGV-ZDUSSCGKSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cholesterol ester
type: Class
subclass of: sterol ester
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: cholesterol
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 413.65570
has_related_synonym: C28H45O2R
has_alternative_id: CHEBI:13983
id: CHEBI:17002
has_alternative_id: CHEBI:23205
has_alternative_id: CHEBI:3660
has_exact_synonym: Cholesterol ester
definition: Cholesterol esterified at the 3-hydroxy group.
database_cross_reference: KEGG:C02530
has_related_synonym: a cholesterol ester
has_obo_namespace: chebi_ontology
has_related_synonym: cholesterol esters
imported from: chebi.owl

octadecanal
type: Class
subclass of: alpha-CH2-containing aldehyde
has_related_synonym: 268.47784
definition: An alpha-CH2-containing aldehyde that has formula C18H36O.
has_related_synonym: C18H36O
database_cross_reference: CAS:638-66-4
has_related_synonym: CCCCCCCCCCCCCCCCCC=O
has_alternative_id: CHEBI:14679
id: CHEBI:17034
has_alternative_id: CHEBI:25628
has_alternative_id: CHEBI:7722
has_related_synonym: FWWQKRXKHIRPJY-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
database_cross_reference: KEGG:C01838
database_cross_reference: LIPID_MAPS_instance:LMFA06000098
has_exact_synonym: Octadecanal
has_obo_namespace: chebi_ontology
has_exact_synonym: octadecanal
has_exact_synonym: stearaldehyde
imported from: chebi.owl

L-aspartic acid
type: Class
subclass of: aspartate family amino acid
subclass of: aspartic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: L-aspartate(1-)
subclass of: Restriction
  on property: is enantiomer of
  some values from: D-aspartic acid
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: neurotransmitter
has_exact_synonym: (2S)-2-aminobutanedioic acid
has_related_synonym: (S)-2-aminobutanedioic acid
has_related_synonym: (S)-2-aminosuccinic acid
has_related_synonym: 133.10270
has_related_synonym: 2-Aminosuccinic acid
has_related_synonym: ASPARTIC ACID
has_related_synonym: Asp
database_cross_reference: Beilstein:1723530
has_related_synonym: C4H7NO4
database_cross_reference: CAS:56-84-8
id: CHEBI:17053
has_alternative_id: CHEBI:21247
has_alternative_id: CHEBI:40853
has_alternative_id: CHEBI:40900
has_alternative_id: CHEBI:40913
has_alternative_id: CHEBI:40942
has_alternative_id: CHEBI:6193
has_related_synonym: CKLJMWTZIZZHCS-REOHCLBHSA-N
has_related_synonym: D
database_cross_reference: DrugBank:DB00128
database_cross_reference: ECMDB:ECMDB00191
database_cross_reference: Gmelin:3333
database_cross_reference: HMDB:HMDB00191
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
database_cross_reference: KEGG:C00049
database_cross_reference: KEGG:D00013
database_cross_reference: KNApSAcK:C00001342
has_related_synonym: L-Asparaginsaeure
has_exact_synonym: L-Aspartic acid
has_exact_synonym: L-aspartic acid
database_cross_reference: MetaCyc:L-ASPARTATE
has_related_synonym: N[C@@H](CC(O)=O)C(O)=O
database_cross_reference: PDBeChem:ASP
database_cross_reference: PMID:11568288
database_cross_reference: PMID:21359215
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:1723530
definition: The L-enantiomer of aspartic acid.
database_cross_reference: YMDB:YMDB00896
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ketone
type: Class
subclass of: carbonyl compound
definition: A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
has_alternative_id: CHEBI:13427
has_alternative_id: CHEBI:13646
id: CHEBI:17087
has_alternative_id: CHEBI:24974
has_alternative_id: CHEBI:6127
has_alternative_id: CHEBI:8742
has_related_synonym: COR2
database_cross_reference: KEGG:C01450
has_related_synonym: Keton
has_exact_synonym: Ketone
has_related_synonym: R-CO-R'
database_cross_reference: Wikipedia:Ketone
has_related_synonym: [*]C([*])=O
has_related_synonym: a ketone
has_related_synonym: cetone
has_obo_namespace: chebi_ontology
has_related_synonym: ketones
has_exact_synonym: ketones
imported from: chebi.owl

erythritol
type: Class
subclass of: butane-1,2,3,4-tetrol
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (2R,3S)-butane-1,2,3,4-tetrol
has_related_synonym: 122.11980
database_cross_reference: Beilstein:1719753
has_related_synonym: C4H10O4
database_cross_reference: CAS:149-32-6
has_alternative_id: CHEBI:14215
id: CHEBI:17113
has_alternative_id: CHEBI:23946
has_alternative_id: CHEBI:372804
has_alternative_id: CHEBI:44263
has_alternative_id: CHEBI:4840
database_cross_reference: DrugBank:DB04481
has_related_synonym: Erythrit
has_related_synonym: Erythrite
has_exact_synonym: Erythritol
has_related_synonym: Erythrol
database_cross_reference: Gmelin:82499
database_cross_reference: HMDB:HMDB02994
has_related_synonym: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
database_cross_reference: KEGG:C00503
database_cross_reference: KNApSAcK:C00001161
has_related_synonym: L-erythritol
has_related_synonym: MESO-ERYTHRITOL
database_cross_reference: MetaCyc:ERYTHRITOL
has_related_synonym: OC[C@H](O)[C@H](O)CO
database_cross_reference: PDBeChem:MRY
database_cross_reference: PMID:12639570
database_cross_reference: PMID:163226
database_cross_reference: PMID:16901854
database_cross_reference: PMID:17336832
database_cross_reference: PMID:17979222
database_cross_reference: PMID:18369603
database_cross_reference: PMID:19632091
database_cross_reference: PMID:22770225
database_cross_reference: PMID:23421980
database_cross_reference: PMID:23574577
database_cross_reference: PMID:23890177
database_cross_reference: PMID:9862657
has_related_synonym: Phycite
has_related_synonym: Phycitol
database_cross_reference: Reaxys:1735878
definition: The meso-diastereomer of butane-1,2,3,4-tetrol.
has_related_synonym: UNXHWFMMPAWVPI-ZXZARUISSA-N
database_cross_reference: Wikipedia:Erythritol
has_obo_namespace: chebi_ontology
has_exact_synonym: erythritol
has_related_synonym: erythro-tetritol
has_exact_synonym: meso-erythritol
has_related_synonym: mesoerythritol
imported from: chebi.owl

hexanoate
type: Class
subclass of: short-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 6:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: hexanoic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-hexanoate
has_related_synonym: 1-pentacarboxylate
has_related_synonym: 1-pentanecarboxylate
has_related_synonym: 115.15034
definition: A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).
database_cross_reference: Beilstein:3601453
has_related_synonym: C6H11O2
database_cross_reference: CAS:151-33-7
has_related_synonym: CCCCCC([O-])=O
has_related_synonym: CH3-[CH2]4-COO(-)
has_alternative_id: CHEBI:14398
id: CHEBI:17120
has_alternative_id: CHEBI:24569
database_cross_reference: ECMDB:ECMDB21229
has_related_synonym: FUZZWVXGSFPDMH-UHFFFAOYSA-M
database_cross_reference: Gmelin:326340
has_related_synonym: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
database_cross_reference: KEGG:C01585
database_cross_reference: MetaCyc:HEXANOATE
has_related_synonym: butylacetate
has_related_synonym: caproate
has_related_synonym: capronate
has_obo_namespace: chebi_ontology
has_exact_synonym: hexanoate
has_related_synonym: hexoate
has_related_synonym: hexylate
has_related_synonym: n-caproate
has_related_synonym: n-hexanoate
has_related_synonym: n-hexoate
has_related_synonym: n-hexylate
has_related_synonym: nPnCO2 anion
has_related_synonym: pentanecarboxylate
has_related_synonym: pentylformate
imported from: chebi.owl

long-chain fatty alcohol
type: Class
subclass of: fatty alcohol
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 17.00730
definition: A fatty alcohol with a chain length of C13 or greater.
has_alternative_id: CHEBI:14527
id: CHEBI:17135
has_alternative_id: CHEBI:6524
has_alternative_id: CHEBI:73312
has_related_synonym: HOR
database_cross_reference: KEGG:C00339
has_related_synonym: Long-chain alcohol
has_related_synonym: O[*]
database_cross_reference: PMID:19155068
database_cross_reference: PMID:22436224
database_cross_reference: PMID:22444994
has_related_synonym: a long chain fatty alcohol
has_obo_namespace: chebi_ontology
has_related_synonym: long chain fatty alcohol
has_related_synonym: long chain fatty alcohols
has_related_synonym: long-chain alcohols
has_related_synonym: long-chain fatty alcohols
imported from: chebi.owl

benzaldehyde
type: Class
subclass of: benzaldehydes
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
subclass of: Restriction
  on property: has role
  some values from: odorant receptor agonist
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 3.1.1.3 (triacylglycerol lipase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 3.5.5.1 (nitrilase) inhhibitor
subclass of: Restriction
  on property: has role
  some values from: fragrance
has_related_synonym: 106.12190
definition: An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes.
has_related_synonym: Artificial almond oil
has_exact_synonym: Benzaldehyde
has_related_synonym: Benzanoaldehyde
has_related_synonym: Benzene carbaldehyde
has_related_synonym: Benzene carboxaldehyde
has_related_synonym: Benzenecarbonal
has_related_synonym: Benzenecarboxaldehyde
has_related_synonym: Benzenemethylal
has_related_synonym: Benzoic acid aldehyde
has_related_synonym: Benzoic aldehyde
has_related_synonym: Benzylaldehyde
has_related_synonym: C7H6O
database_cross_reference: CAS:100-52-7
has_alternative_id: CHEBI:13875
id: CHEBI:17169
has_alternative_id: CHEBI:22697
has_alternative_id: CHEBI:3019
has_related_synonym: Ethereal oil of bitter almonds
database_cross_reference: HMDB:HMDB06115
has_related_synonym: HUMNYLRZRPPJDN-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
database_cross_reference: KEGG:C00193
database_cross_reference: KEGG:C00261
database_cross_reference: KEGG:D02314
database_cross_reference: MetaCyc:BENZALDEHYDE
has_related_synonym: O=Cc1ccccc1
database_cross_reference: PDBeChem:HBX
database_cross_reference: PMID:11943806
database_cross_reference: PMID:12692643
database_cross_reference: PMID:12738275
database_cross_reference: PMID:12746108
database_cross_reference: PMID:1388821
database_cross_reference: PMID:15087594
database_cross_reference: PMID:15658857
database_cross_reference: PMID:16248550
database_cross_reference: PMID:16508147
database_cross_reference: PMID:16557466
database_cross_reference: PMID:18348134
database_cross_reference: PMID:20733068
database_cross_reference: PMID:20878540
database_cross_reference: PMID:21035797
database_cross_reference: PMID:21538605
database_cross_reference: PMID:21773601
database_cross_reference: PMID:21828928
database_cross_reference: PMID:23263855
has_related_synonym: Phenylformaldehyde
has_related_synonym: Phenylmethanal
database_cross_reference: Reaxys:471223
has_related_synonym: Synthetic oil of bitter almond
database_cross_reference: UM-BBD_compID:c0279
database_cross_reference: Wikipedia:Benzaldehyde
has_exact_synonym: benzaldehyde
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cinnamyl alcohol
type: Class
subclass of: primary alcohol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 134.17510
has_related_synonym: 3-Phenyl-2-propen-1-ol
has_related_synonym: 3-phenyl-2-propen-1-ol
has_exact_synonym: 3-phenylprop-2-en-1-ol
definition: A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified).
database_cross_reference: Beilstein:1903999
has_related_synonym: C9H10O
database_cross_reference: CAS:104-54-1
has_alternative_id: CHEBI:13996
id: CHEBI:17177
has_alternative_id: CHEBI:23254
has_alternative_id: CHEBI:23255
has_alternative_id: CHEBI:3714
has_exact_synonym: Cinnamyl alcohol
database_cross_reference: Gmelin:27238
database_cross_reference: HMDB:HMDB29697
has_related_synonym: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
database_cross_reference: KEGG:C02394
database_cross_reference: KNApSAcK:C00042390
database_cross_reference: MetaCyc:CINNAMYL-ALC
has_related_synonym: OCC=Cc1ccccc1
has_related_synonym: OOCCDEMITAIZTP-UHFFFAOYSA-N
database_cross_reference: PMID:23421457
database_cross_reference: PMID:24190481
database_cross_reference: Reaxys:1903999
has_related_synonym: Styrylcarbinol
database_cross_reference: Wikipedia:Cinnamyl_alcohol
has_related_synonym: Zimtalcohol
has_obo_namespace: chebi_ontology
has_exact_synonym: cinnamyl alcohol
imported from: chebi.owl

pinene
type: Class
subclass of: monoterpene
subclass of: Restriction
  on property: has parent hydride
  some values from: pinane
has_related_synonym: C10H16
has_alternative_id: CHEBI:14839
id: CHEBI:17187
has_alternative_id: CHEBI:26134
has_alternative_id: CHEBI:8215
database_cross_reference: KEGG:C06077
has_exact_synonym: Pinene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleoside 5'-monophosphate
type: Class
subclass of: nucleoside phosphate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: nucleoside 5'-monophosphate(2-)
has_related_synonym: C5H10O7PR
has_alternative_id: CHEBI:14676
id: CHEBI:17188
has_alternative_id: CHEBI:25607
has_alternative_id: CHEBI:7439
has_alternative_id: CHEBI:7653
has_alternative_id: CHEBI:7654
database_cross_reference: KEGG:C01329
database_cross_reference: KEGG:C02520
has_related_synonym: NMP
has_related_synonym: Nucleoside monophosphate
has_related_synonym: Nucleoside phosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside monophosphate
has_related_synonym: nucleoside monophosphates
imported from: chebi.owl

salutaridine
type: Class
subclass of: morphinane alkaloid
subclass of: Restriction
  on property: is conjugate base of
  some values from: salutaridinium(1+)
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: morphinan
subclass of: Restriction
  on property: has role
  some values from: anti-HBV agent
has_related_synonym: 327.37438
has_exact_synonym: 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one
has_related_synonym: 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one
definition: A morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine.
database_cross_reference: Beilstein:1630083
database_cross_reference: Beilstein:4788633
has_related_synonym: C19H21NO4
database_cross_reference: CAS:1936-18-1
has_alternative_id: CHEBI:15062
id: CHEBI:17225
has_alternative_id: CHEBI:26598
has_alternative_id: CHEBI:9015
has_related_synonym: GVTRUVGBZQJVTF-YJYMSZOUSA-N
has_related_synonym: InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1
database_cross_reference: KEGG:C05179
database_cross_reference: KNApSAcK:C00001916
database_cross_reference: PMID:17226487
database_cross_reference: PMID:17611928
database_cross_reference: Reaxys:1630083
has_exact_synonym: Salutaridine
has_related_synonym: Sinoacutine
database_cross_reference: Wikipedia:Salutaridine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glucose
type: Class
subclass of: aldohexose
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 180.15588
definition: An aldohexose used as a source of energy and metabolic intermediate.
has_related_synonym: C6H12O6
database_cross_reference: CAS:50-99-7
has_alternative_id: CHEBI:14313
id: CHEBI:17234
has_alternative_id: CHEBI:24277
has_alternative_id: CHEBI:33929
has_alternative_id: CHEBI:5418
has_related_synonym: DL-glucose
has_related_synonym: Glc
has_exact_synonym: Glucose
has_related_synonym: Glukose
database_cross_reference: KEGG:C00293
database_cross_reference: Wikipedia:Glucose
has_obo_namespace: chebi_ontology
has_exact_synonym: gluco-hexose
has_exact_synonym: glucose
imported from: chebi.owl

7H-purine
type: Class
subclass of: purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 1H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 3H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 9H-purine
has_related_synonym: 120.11222
has_exact_synonym: 7H-purine
database_cross_reference: Beilstein:3200
has_related_synonym: C5H4N4
has_alternative_id: CHEBI:14968
id: CHEBI:17258
has_alternative_id: CHEBI:8639
database_cross_reference: Gmelin:601779
database_cross_reference: HMDB:HMDB01366
has_related_synonym: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
has_related_synonym: KDCGOANMDULRCW-UHFFFAOYSA-N
database_cross_reference: KEGG:C15587
has_related_synonym: Purine
has_related_synonym: Purine base
database_cross_reference: Reaxys:3200
definition: The 7H-tautomer of purine.
has_related_synonym: c1ncc2[nH]cnc2n1
has_obo_namespace: chebi_ontology
has_related_synonym: purine
imported from: chebi.owl

myo-inositol
type: Class
subclass of: inositol
subclass of: Restriction
  on property: has role
  some values from: EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: compatible osmolytes
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: nutrient
has_related_synonym: (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol
has_related_synonym: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
has_related_synonym: 1,2,3,5/4,6-cyclohexanehexol
has_related_synonym: 180.15588
has_related_synonym: 1D-myo-Inositol
has_related_synonym: 1L-myo-Inositol
definition: An inositol having myo- configuration.
database_cross_reference: Beilstein:1907329
has_related_synonym: Bios I
has_related_synonym: C6H12O6
database_cross_reference: CAS:87-89-8
has_related_synonym: CDAISMWEOUEBRE-GPIVLXJGSA-N
has_alternative_id: CHEBI:10601
has_alternative_id: CHEBI:12826
has_alternative_id: CHEBI:12831
id: CHEBI:17268
has_alternative_id: CHEBI:25451
has_alternative_id: CHEBI:43559
has_related_synonym: Cyclohexitol
has_related_synonym: D-myo-Inositol
has_related_synonym: Dambose
database_cross_reference: DrugBank:DB03106
database_cross_reference: Gmelin:82918
database_cross_reference: HMDB:HMDB00211
has_related_synonym: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
has_related_synonym: Inositol
has_related_synonym: Ins
database_cross_reference: KEGG:C00137
database_cross_reference: KEGG:D08079
database_cross_reference: KNApSAcK:C00001164
has_related_synonym: L-myo-Inositol
has_related_synonym: Meat sugar
database_cross_reference: MetaCyc:MYO-INOSITOL
has_related_synonym: Myoinositol
database_cross_reference: PDBeChem:INS
database_cross_reference: PMID:11034685
database_cross_reference: PMID:11244303
database_cross_reference: PMID:11323092
database_cross_reference: PMID:11772411
database_cross_reference: PMID:12478879
database_cross_reference: PMID:12832083
database_cross_reference: PMID:14583919
database_cross_reference: PMID:14681857
database_cross_reference: PMID:15181167
database_cross_reference: PMID:15295080
database_cross_reference: PMID:15558078
database_cross_reference: PMID:16410747
database_cross_reference: PMID:1694860
database_cross_reference: PMID:17439666
database_cross_reference: PMID:17722064
database_cross_reference: PMID:18650262
database_cross_reference: PMID:18854045
database_cross_reference: PMID:19097871
database_cross_reference: PMID:19383710
database_cross_reference: PMID:22285975
database_cross_reference: PMID:22461977
database_cross_reference: PMID:22517104
database_cross_reference: PMID:838172
database_cross_reference: Reaxys:1907329
database_cross_reference: Wikipedia:Inositol
has_obo_namespace: chebi_ontology
has_related_synonym: cis-1,2,3,5-trans-4,6-cyclohexanehexol
has_related_synonym: i-inositol
has_related_synonym: inosite
has_related_synonym: meso-Inositol
has_exact_synonym: myo-Inositol
has_exact_synonym: myo-inositol
imported from: chebi.owl

propionate
type: Class
subclass of: fatty acid anion 3:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: propionic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 73.07060
database_cross_reference: Beilstein:3587503
has_related_synonym: C3H5O2
database_cross_reference: CAS:72-03-7
has_related_synonym: CCC([O-])=O
has_related_synonym: CH3-CH2-COO(-)
has_alternative_id: CHEBI:14903
id: CHEBI:17272
has_alternative_id: CHEBI:26290
has_related_synonym: EtCO2 anion
database_cross_reference: Gmelin:1820
has_related_synonym: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
database_cross_reference: KEGG:C00163
database_cross_reference: PMID:17951291
database_cross_reference: PMID:18375549
database_cross_reference: PMID:2647392
definition: The conjugate base of propionic acid; a key precursor in lipid biosynthesis.
database_cross_reference: UM-BBD_compID:c0277
has_related_synonym: XBDQKXXYIPTUBI-UHFFFAOYSA-M
has_related_synonym: carboxylatoethane
has_obo_namespace: chebi_ontology
has_related_synonym: ethanecarboxylate
has_related_synonym: ethylformate
has_related_synonym: metacetonate
has_related_synonym: methylacetate
has_related_synonym: propanate
has_related_synonym: propanoate
has_exact_synonym: propanoate
has_related_synonym: propanoic acid, ion(1-)
has_exact_synonym: propionate
has_related_synonym: pseudoacetate
imported from: chebi.owl

pectin
type: Class
subclass of: galacturonan
subclass of: Restriction
  on property: has role
  some values from: antidiarrhoeal drug
subclass of: Restriction
  on property: is conjugate acid of
  some values from: pectate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: food stabiliser
subclass of: Restriction
  on property: has role
  some values from: food gelling agent
subclass of: Restriction
  on property: has role
  some values from: food emulsifier
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: food thickening agent
definition: Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan.
database_cross_reference: CAS:9000-69-5
has_alternative_id: CHEBI:14741
id: CHEBI:17309
has_alternative_id: CHEBI:26180
has_alternative_id: CHEBI:7946
has_related_synonym: H2O(C6H8O6)n
database_cross_reference: HMDB:HMDB03402
database_cross_reference: KEGG:C00714
database_cross_reference: KEGG:D02316
database_cross_reference: KEGG:G10591
database_cross_reference: MetaCyc:PECTATE
database_cross_reference: PMID:17930085
database_cross_reference: PMID:24751282
database_cross_reference: PMID:24798790
database_cross_reference: PMID:7960137
has_exact_synonym: Pectin
has_related_synonym: Pektin
has_related_synonym: Pektine
has_related_synonym: Poly(1,4-alpha-D-galacturonide)
database_cross_reference: Reaxys:8539058
database_cross_reference: Wikipedia:Pectin
has_obo_namespace: chebi_ontology
has_related_synonym: pectic substance
has_related_synonym: pectina
has_related_synonym: pectinas
has_related_synonym: pectine
has_related_synonym: pectines
has_related_synonym: pectins
has_related_synonym: poly[(1->4)-alpha-D-GalpA]
imported from: chebi.owl

all-trans-retinol
type: Class
subclass of: retinol
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
has_related_synonym: 286.45160
definition: A retinol in which all four exocyclic double bonds have E- (trans-) geometry.
has_related_synonym: Alphalin
database_cross_reference: Beilstein:403040
has_related_synonym: C20H30O
database_cross_reference: CAS:11103-57-4
database_cross_reference: CAS:68-26-8
has_related_synonym: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO
has_alternative_id: CHEBI:12783
id: CHEBI:17336
has_alternative_id: CHEBI:22349
has_alternative_id: CHEBI:8816
has_related_synonym: Chocola A
database_cross_reference: DrugBank:DB00162
has_related_synonym: FPIPGXGPPPQFEQ-OVSJKPMPSA-N
database_cross_reference: Gmelin:247497
has_related_synonym: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
database_cross_reference: KEGG:C00473
database_cross_reference: KEGG:C17276
database_cross_reference: KEGG:D00069
database_cross_reference: KEGG:D06543
database_cross_reference: LIPID_MAPS_instance:LMPR01090000
database_cross_reference: LIPID_MAPS_instance:LMPR01090001
database_cross_reference: PDBeChem:RTL
has_related_synonym: Retinol
has_related_synonym: Vitamin A
has_related_synonym: Vitamin A1
database_cross_reference: Wikipedia:Vitamin_A
has_exact_synonym: all-trans-Retinol
has_exact_synonym: all-trans-retinol
has_related_synonym: all-trans-retinyl alcohol
has_related_synonym: all-trans-vitamin A alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

linoleic acid
type: Class
subclass of: octadecadienoic acid
subclass of: omega-6 fatty acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: linoleate
subclass of: Restriction
  on property: has role
  some values from: Daphnia galeata metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
has_related_synonym: (9Z,12Z)-Octadecadienoic acid
has_exact_synonym: (9Z,12Z)-octadeca-9,12-dienoic acid
has_related_synonym: (Z,Z)-9,12-octadecadienoic acid
has_related_synonym: 280.44550
has_related_synonym: 9-cis,12-cis-Octadecadienoic acid
has_related_synonym: 9Z,12Z-octadecadienoic acid
definition: An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.
database_cross_reference: Beilstein:1727101
has_related_synonym: C18:2 9c, 12c omega6 todos cis-9,12-octadienoico
has_related_synonym: C18:2, n-6,9 all-cis
has_related_synonym: C18H32O2
database_cross_reference: CAS:60-33-3
has_related_synonym: CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
id: CHEBI:17351
has_alternative_id: CHEBI:25047
has_alternative_id: CHEBI:42395
has_alternative_id: CHEBI:6479
database_cross_reference: Gmelin:57557
database_cross_reference: HMDB:HMDB00673
has_related_synonym: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
database_cross_reference: KEGG:C01595
database_cross_reference: KNApSAcK:C00001224
has_related_synonym: LA
has_exact_synonym: LINOLEIC ACID
database_cross_reference: LIPID_MAPS_instance:LMFA01030120
has_exact_synonym: Linoleic acid
database_cross_reference: MetaCyc:LINOLEIC_ACID
has_related_synonym: OYHQOLUKZRVURQ-HZJYTTRNSA-N
database_cross_reference: PDBeChem:EIC
database_cross_reference: PMID:11113630
database_cross_reference: PMID:11304127
database_cross_reference: PMID:11322990
database_cross_reference: PMID:14667063
database_cross_reference: PMID:14993245
database_cross_reference: PMID:15115315
database_cross_reference: PMID:15642793
database_cross_reference: PMID:15969511
database_cross_reference: PMID:16254037
database_cross_reference: PMID:16563718
database_cross_reference: PMID:17647039
database_cross_reference: PMID:18044828
database_cross_reference: PMID:18990554
database_cross_reference: PMID:19628674
database_cross_reference: PMID:19936816
database_cross_reference: PMID:23900039
database_cross_reference: PMID:24081493
database_cross_reference: PMID:6205897
database_cross_reference: Reaxys:1727101
database_cross_reference: Wikipedia:Linoleic_acid
has_related_synonym: acide cis-linoleique
has_related_synonym: acide linoleique
has_related_synonym: acido linoleico
has_related_synonym: all-cis-9,12-octadecadienoic acid
has_obo_namespace: chebi_ontology
has_related_synonym: cis,cis-9,12-octadecadienoic acid
has_related_synonym: cis,cis-linoleic acid
has_related_synonym: cis-Delta(9,12)-octadecadienoic acid
has_related_synonym: linolic acid
imported from: chebi.owl

D-aspartic acid
type: Class
subclass of: D-alpha-amino acid
subclass of: aspartic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: D-aspartate(1-)
subclass of: Restriction
  on property: is enantiomer of
  some values from: L-aspartic acid
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_exact_synonym: (2R)-2-aminobutanedioic acid
has_related_synonym: (R)-2-aminobutanedioic acid
has_related_synonym: (R)-2-aminosuccinic acid
has_related_synonym: 133.10270
database_cross_reference: Beilstein:1723529
has_related_synonym: C4H7NO4
database_cross_reference: CAS:1783-96-6
id: CHEBI:17364
has_alternative_id: CHEBI:20920
has_alternative_id: CHEBI:4108
has_related_synonym: CKLJMWTZIZZHCS-UWTATZPHSA-N
has_related_synonym: D-Asparaginsaeure
has_exact_synonym: D-Aspartic acid
has_exact_synonym: D-aspartic acid
has_related_synonym: DAS
database_cross_reference: DrugBank:DB02655
database_cross_reference: Gmelin:602084
database_cross_reference: HMDB:HMDB06483
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
database_cross_reference: KEGG:C00402
database_cross_reference: MetaCyc:CPD-302
has_related_synonym: N[C@H](CC(O)=O)C(O)=O
database_cross_reference: PDBeChem:DAS
database_cross_reference: PMID:11419736
database_cross_reference: PMID:17118457
database_cross_reference: PMID:17407322
database_cross_reference: PMID:18318836
database_cross_reference: PMID:19860889
database_cross_reference: Reaxys:1723529
definition: The D-enantiomer of aspartic acid.
has_related_synonym: aspartic acid D-form
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cystine
type: Class
subclass of: cysteine derivative
subclass of: sulfur-containing amino acid
subclass of: organic disulfide
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: cystine zwitterion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 240.30256
has_exact_synonym: 3,3'-disulfanediylbis(2-aminopropanoic acid)
has_related_synonym: 3,3'-dithiobis(2-aminopropanoic acid)
definition: A sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond.
database_cross_reference: Beilstein:1728091
has_related_synonym: C6H12N2O4S2
database_cross_reference: CAS:923-32-0
has_alternative_id: CHEBI:14062
id: CHEBI:17376
has_alternative_id: CHEBI:23513
has_alternative_id: CHEBI:4052
has_related_synonym: Cystin
has_exact_synonym: Cystine
has_related_synonym: Dicysteine
database_cross_reference: Gmelin:83347
has_related_synonym: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
database_cross_reference: KEGG:C01420
has_related_synonym: LEVWYRKDKASIDU-UHFFFAOYSA-N
has_related_synonym: NC(CSSCC(N)C(O)=O)C(O)=O
database_cross_reference: PMID:18608550
database_cross_reference: PMID:24327171
database_cross_reference: PMID:24525029
database_cross_reference: PMID:24525030
database_cross_reference: Reaxys:1728091
database_cross_reference: Wikipedia:Cystine
has_related_synonym: Zystin
has_related_synonym: alpha-Diamino-beta-dithiolactic acid
has_obo_namespace: chebi_ontology
has_related_synonym: cistina
has_exact_synonym: cystine
imported from: chebi.owl

bergaptol
type: Class
subclass of: psoralens
subclass of: 5-hydroxyfurocoumarin
subclass of: Restriction
  on property: is conjugate acid of
  some values from: bergaptol(1-)
has_related_synonym: 202.16294
has_exact_synonym: 4-hydroxy-7H-furo[3,2-g]chromen-7-one
has_related_synonym: 5-Hydroxyfuranocoumarin
has_related_synonym: 5-Hydroxypsoralen
definition: A 5-hydroxyfurocoumarin that has formula C11H6O4.
has_exact_synonym: Bergaptol
has_related_synonym: C11H6O4
database_cross_reference: CAS:486-60-2
has_alternative_id: CHEBI:12136
has_alternative_id: CHEBI:13894
id: CHEBI:17377
has_alternative_id: CHEBI:22755
has_alternative_id: CHEBI:22756
has_alternative_id: CHEBI:3068
has_related_synonym: GIJHDGJRTUSBJR-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
database_cross_reference: KEGG:C00758
database_cross_reference: KNApSAcK:C00000581
has_related_synonym: Oc1c2ccoc2cc2oc(=O)ccc12
has_obo_namespace: chebi_ontology
imported from: chebi.owl

geraniol
type: Class
subclass of: 3,7-dimethylocta-2,6-dien-1-ol
subclass of: Restriction
  on property: has role
  some values from: fragrance
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: allergen
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: (2E)-3,7-dimethyl-2,6-octadien-1-ol
has_exact_synonym: (2E)-3,7-dimethylocta-2,6-dien-1-ol
has_related_synonym: (E)-3,7-dimethyl-2,6-octadien-1-ol
has_related_synonym: (E)-geraniol
has_related_synonym: (E)-nerol
has_related_synonym: 154.24932
has_related_synonym: 2-trans-3,7-Dimethyl-2,6-octadien-1-ol
has_related_synonym: 3,7-dimethyl-trans-2,6-octadien-1-ol
definition: A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end.
database_cross_reference: Beilstein:1722456
has_related_synonym: C10H18O
database_cross_reference: CAS:106-24-1
has_related_synonym: CC(C)=CCC\C(C)=C\CO
has_alternative_id: CHEBI:14297
id: CHEBI:17447
has_alternative_id: CHEBI:24219
has_alternative_id: CHEBI:5329
has_related_synonym: GLZPCOQZEFWAFX-JXMROGBWSA-N
has_exact_synonym: Geraniol
database_cross_reference: Gmelin:185248
has_related_synonym: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
database_cross_reference: KEGG:C01500
database_cross_reference: KNApSAcK:C00000845
database_cross_reference: LIPID_MAPS_instance:LMPR0102010016
database_cross_reference: PMID:18824010
database_cross_reference: PMID:20573166
database_cross_reference: PMID:23102596
database_cross_reference: PMID:23108028
database_cross_reference: PMID:23168261
database_cross_reference: PMID:23200656
database_cross_reference: PMID:23399806
database_cross_reference: PMID:23415329
database_cross_reference: PMID:23499697
database_cross_reference: PMID:23510343
database_cross_reference: Wikipedia:Geraniol
has_obo_namespace: chebi_ontology
has_exact_synonym: geraniol
has_related_synonym: geranyl alcohol
has_related_synonym: lemonol
has_related_synonym: t-geraniol
has_related_synonym: trans-3,7-dimethyl-2,6-octadien-1-ol
has_related_synonym: trans-geraniol
imported from: chebi.owl

aldehyde
type: Class
subclass of: carbonyl compound
subclass of: Restriction
  on property: has part
  some values from: formyl group
has_related_synonym: 29.01800
definition: A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.
has_related_synonym: Aldehyd
has_exact_synonym: Aldehyde
has_alternative_id: CHEBI:13432
has_alternative_id: CHEBI:13753
has_alternative_id: CHEBI:13805
has_alternative_id: CHEBI:13806
id: CHEBI:17478
has_alternative_id: CHEBI:22291
has_alternative_id: CHEBI:2554
has_alternative_id: CHEBI:8750
has_related_synonym: CHOR
database_cross_reference: KEGG:C00071
has_related_synonym: RC(=O)H
has_related_synonym: RCHO
has_related_synonym: [H]C([*])=O
has_related_synonym: aldehido
has_related_synonym: aldehidos
has_exact_synonym: aldehyde
has_related_synonym: aldehydes
has_exact_synonym: aldehydes
has_related_synonym: aldehydum
has_related_synonym: an aldehyde
has_obo_namespace: chebi_ontology
imported from: chebi.owl

scopoletin
type: Class
subclass of: hydroxycoumarin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: umbelliferone
subclass of: Restriction
  on property: has role
  some values from: plant growth regulator
has_related_synonym: 192.16810
has_related_synonym: 6-Methoxy-7-hydroxycoumarin
has_related_synonym: 6-Methylesculetin
has_related_synonym: 6-O-Methylesculetin
has_related_synonym: 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one
has_exact_synonym: 7-hydroxy-6-methoxy-2H-chromen-2-one
has_related_synonym: 7-hydroxy-6-methoxycoumarin
definition: A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6.
has_related_synonym: C10H8O4
database_cross_reference: CAS:92-61-5
has_alternative_id: CHEBI:15067
id: CHEBI:17488
has_alternative_id: CHEBI:210840
has_alternative_id: CHEBI:26611
has_alternative_id: CHEBI:9057
has_related_synonym: COc1cc2ccc(=O)oc2cc1O
has_related_synonym: InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
database_cross_reference: KEGG:C01752
database_cross_reference: KNApSAcK:C00002499
database_cross_reference: LINCS:LSM-6694
database_cross_reference: PMID:20686865
database_cross_reference: PMID:21078410
database_cross_reference: PMID:21163341
database_cross_reference: PMID:21383663
database_cross_reference: PMID:21417386
database_cross_reference: PMID:21544717
database_cross_reference: PMID:21598418
database_cross_reference: PMID:21604276
database_cross_reference: PMID:21605187
database_cross_reference: PMID:21657075
database_cross_reference: PMID:21751840
has_related_synonym: RODXRVNMMDRFIK-UHFFFAOYSA-N
database_cross_reference: Reaxys:156296
has_exact_synonym: Scopoletin
has_obo_namespace: chebi_ontology
has_exact_synonym: scopoletin
imported from: chebi.owl

(-)-quinic acid
type: Class
subclass of: quinic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: (-)-quinate
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-quinic acid
has_exact_synonym: (-)-Quinic acid
has_exact_synonym: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
has_related_synonym: 192.16658
has_exact_synonym: 1L-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid
has_related_synonym: AAWZDTNXLSGCEK-WYWMIBKRSA-N
database_cross_reference: Beilstein:2212412
has_related_synonym: C7H12O6
database_cross_reference: CAS:77-95-2
id: CHEBI:17521
has_alternative_id: CHEBI:26492
has_alternative_id: CHEBI:8715
has_related_synonym: Chinic acid
has_related_synonym: D-Quinic acid
database_cross_reference: HMDB:HMDB03072
has_related_synonym: InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
database_cross_reference: KEGG:C00296
database_cross_reference: KNApSAcK:C00001201
has_related_synonym: Kinic acid
has_related_synonym: L-Quinic acid
database_cross_reference: MetaCyc:QUINATE
database_cross_reference: PDBeChem:QIC
database_cross_reference: PMID:15589483
database_cross_reference: PMID:22770225
has_related_synonym: Quinic acid
database_cross_reference: Reaxys:2212412
definition: The (-)-enantiomer of quinic acid.
database_cross_reference: Wikipedia:Quinic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alditol
type: Class
subclass of: carbohydrate
subclass of: polyol
has_related_synonym: (CH2O)nC2H6O2
definition: A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group).
has_exact_synonym: Alditol
has_alternative_id: CHEBI:13754
id: CHEBI:17522
has_alternative_id: CHEBI:22298
has_alternative_id: CHEBI:2556
has_related_synonym: Glycitol
database_cross_reference: KEGG:C00717
has_related_synonym: Sugar alcohol
database_cross_reference: Wikipedia:Glycerin
has_related_synonym: alditols
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hydrogencarbonate
type: Class
subclass of: carbon oxoanion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: carbonic acid
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: carbonate
has_related_synonym: 61.01684
has_related_synonym: Acid carbonate
has_related_synonym: BICARBONATE ION
has_related_synonym: BVKZGUZCCUSVTD-UHFFFAOYSA-M
database_cross_reference: Beilstein:3903504
has_related_synonym: Bicarbonate
database_cross_reference: CAS:71-52-3
has_alternative_id: CHEBI:13363
id: CHEBI:17544
has_alternative_id: CHEBI:22863
has_alternative_id: CHEBI:40961
has_alternative_id: CHEBI:5589
has_related_synonym: CHO3
database_cross_reference: Gmelin:49249
has_related_synonym: HCO3(-)
has_related_synonym: HCO3-
database_cross_reference: HMDB:HMDB00595
has_exact_synonym: Hydrogencarbonate
has_related_synonym: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
database_cross_reference: KEGG:C00288
has_related_synonym: OC([O-])=O
database_cross_reference: PDBeChem:BCT
definition: The carbon oxoanion resulting from the removal of a proton from carbonic acid.
has_related_synonym: [CO2(OH)](-)
has_obo_namespace: chebi_ontology
has_exact_synonym: hydrogen(trioxidocarbonate)(1-)
has_exact_synonym: hydrogencarbonate
has_exact_synonym: hydrogencarbonate(1-)
has_exact_synonym: hydrogentrioxocarbonate(1-)
has_exact_synonym: hydrogentrioxocarbonate(IV)
has_exact_synonym: hydroxidodioxidocarbonate(1-)
imported from: chebi.owl

quercitrin
type: Class
subclass of: alpha-L-rhamnoside
subclass of: tetrahydroxyflavone
subclass of: monosaccharide derivative
subclass of: quercetin O-glycoside
subclass of: Restriction
  on property: has role
  some values from: EC 1.14.18.1 (tyrosinase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: antileishmanial agent
subclass of: Restriction
  on property: has role
  some values from: EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 1.1.1.21 (aldehyde reductase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: is conjugate acid of
  some values from: quercitrin-7-olate
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
has_related_synonym: 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside
has_related_synonym: 3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
has_related_synonym: 448.37690
definition: A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage.
has_related_synonym: C21H20O11
database_cross_reference: CAS:522-12-3
has_alternative_id: CHEBI:132834
has_alternative_id: CHEBI:14996
id: CHEBI:17558
has_alternative_id: CHEBI:26485
has_alternative_id: CHEBI:8705
database_cross_reference: HMDB:HMDB33751
has_related_synonym: InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
database_cross_reference: KEGG:C01750
database_cross_reference: KNApSAcK:C00005374
database_cross_reference: LIPID_MAPS_instance:LMPK12112171
database_cross_reference: MetaCyc:QUERCITRIN
has_related_synonym: OXGUCUVFOIWWQJ-HQBVPOQASA-N
database_cross_reference: PMID:10963295
database_cross_reference: PMID:11714358
database_cross_reference: PMID:11816040
database_cross_reference: PMID:12008093
database_cross_reference: PMID:15388977
database_cross_reference: PMID:15725651
database_cross_reference: PMID:16806328
database_cross_reference: PMID:17366733
database_cross_reference: PMID:19928818
database_cross_reference: PMID:21834636
database_cross_reference: PMID:22327179
database_cross_reference: PMID:22379948
database_cross_reference: PMID:23138875
database_cross_reference: PMID:23291772
has_related_synonym: Quercetin 3-L-rhamnoside
has_related_synonym: Quercetin 3-O-alpha-L-rhamnopyranoside
has_related_synonym: Quercetin 3-O-rhamnoside
has_related_synonym: Quercimelin
has_exact_synonym: Quercitrin
has_related_synonym: Quercitronic acid
has_related_synonym: Quercitroside
database_cross_reference: Reaxys:68135
database_cross_reference: Wikipedia:Quercitrin
has_obo_namespace: chebi_ontology
has_related_synonym: luteolin 6-deoxy-alpha-L-mannopyranoside
has_related_synonym: quercetin 3-O-alpha-L-rhamnopyranoside
has_related_synonym: quercetin-3-L-rhamnoside
imported from: chebi.owl

phthalate(2-)
type: Class
subclass of: phthalate
subclass of: Restriction
  on property: is conjugate base of
  some values from: phthalate(1-)
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: 1,2-benzenedicarboxylate
has_related_synonym: 164.11496
definition: A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid.
database_cross_reference: Beilstein:3906509
has_related_synonym: C8H4O4
database_cross_reference: CAS:3198-29-6
has_alternative_id: CHEBI:14831
id: CHEBI:17563
has_alternative_id: CHEBI:26090
database_cross_reference: Gmelin:3530
has_related_synonym: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
database_cross_reference: KEGG:C01606
database_cross_reference: Reaxys:3906509
database_cross_reference: UM-BBD_compID:c0181
has_related_synonym: XNGIFLGASWRNHJ-UHFFFAOYSA-L
has_related_synonym: [O-]C(=O)c1ccccc1C([O-])=O
has_exact_synonym: benzene-1,2-dicarboxylate
has_obo_namespace: chebi_ontology
has_related_synonym: phthalate
imported from: chebi.owl

uracil
type: Class
subclass of: pyrimidine nucleobase
subclass of: pyrimidone
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
subclass of: Restriction
  on property: has role
  some values from: prodrug
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
has_related_synonym: 112.08684
has_related_synonym: 2,4(1H,3H)-pyrimidinedione
has_related_synonym: 2,4-Dioxopyrimidine
has_related_synonym: 2,4-Pyrimidinedione
definition: A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription.
database_cross_reference: Beilstein:606623
has_related_synonym: C4H4N2O2
database_cross_reference: CAS:66-22-8
has_alternative_id: CHEBI:15288
id: CHEBI:17568
has_alternative_id: CHEBI:27210
has_alternative_id: CHEBI:46375
has_alternative_id: CHEBI:9882
database_cross_reference: DrugBank:DB03419
database_cross_reference: Gmelin:2896
database_cross_reference: HMDB:HMDB00300
has_related_synonym: ISAKRJDGNUQOIC-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
database_cross_reference: KEGG:C00106
database_cross_reference: KEGG:D00027
database_cross_reference: KNApSAcK:C00001513
database_cross_reference: MetaCyc:URACIL
has_related_synonym: O=c1cc[nH]c(=O)[nH]1
database_cross_reference: PDBeChem:URA
database_cross_reference: PMID:11279060
database_cross_reference: PMID:12855717
database_cross_reference: PMID:15274295
database_cross_reference: PMID:16834123
database_cross_reference: PMID:17439666
database_cross_reference: PMID:18533995
database_cross_reference: PMID:18815805
database_cross_reference: PMID:19175333
database_cross_reference: PMID:22020693
database_cross_reference: PMID:22074393
database_cross_reference: PMID:22120518
database_cross_reference: PMID:22171528
database_cross_reference: PMID:22237209
database_cross_reference: PMID:22299724
database_cross_reference: PMID:22356544
database_cross_reference: PMID:22447672
database_cross_reference: PMID:22483865
database_cross_reference: PMID:22567906
database_cross_reference: PMID:22685418
database_cross_reference: PMID:3654008
database_cross_reference: Reaxys:606623
has_related_synonym: U
has_exact_synonym: URACIL
has_related_synonym: Ura
has_exact_synonym: Uracil
has_related_synonym: Urazil
database_cross_reference: Wikipedia:Uracil
has_obo_namespace: chebi_ontology
has_exact_synonym: pyrimidine-2,4(1H,3H)-dione
has_exact_synonym: uracil
imported from: chebi.owl

toluene
type: Class
subclass of: toluenes
subclass of: methylbenzene
subclass of: Restriction
  on property: has role
  some values from: cholinergic antagonist
subclass of: Restriction
  on property: has role
  some values from: non-polar solvent
subclass of: Restriction
  on property: has role
  some values from: fuel additive
subclass of: Restriction
  on property: has role
  some values from: neurotoxin
has_related_synonym: 92.13842
database_cross_reference: Beilstein:635760
has_related_synonym: C7H8
database_cross_reference: CAS:108-88-3
has_alternative_id: CHEBI:15248
id: CHEBI:17578
has_alternative_id: CHEBI:27022
has_alternative_id: CHEBI:44023
has_alternative_id: CHEBI:9624
has_related_synonym: Cc1ccccc1
database_cross_reference: DrugBank:DB01900
database_cross_reference: Gmelin:2456
has_related_synonym: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
database_cross_reference: KEGG:C01455
database_cross_reference: PDBeChem:MBN
database_cross_reference: PMID:11182169
database_cross_reference: PMID:11314682
database_cross_reference: PMID:11846266
database_cross_reference: PMID:11991009
database_cross_reference: PMID:12062755
database_cross_reference: PMID:12213539
database_cross_reference: PMID:12237258
database_cross_reference: PMID:12784113
database_cross_reference: PMID:12876426
database_cross_reference: PMID:14512097
database_cross_reference: PMID:14559343
database_cross_reference: PMID:14605898
database_cross_reference: PMID:15015825
database_cross_reference: PMID:15019953
database_cross_reference: PMID:15119846
database_cross_reference: PMID:15193425
database_cross_reference: PMID:15542760
database_cross_reference: PMID:15567510
database_cross_reference: PMID:15695158
database_cross_reference: PMID:15796064
database_cross_reference: PMID:16316648
database_cross_reference: PMID:16348226
database_cross_reference: PMID:16601996
database_cross_reference: PMID:17145141
database_cross_reference: PMID:17175136
database_cross_reference: PMID:17497535
database_cross_reference: PMID:17725881
database_cross_reference: PMID:18397809
database_cross_reference: PMID:18832024
database_cross_reference: PMID:19261054
database_cross_reference: PMID:19384711
database_cross_reference: PMID:19429395
database_cross_reference: PMID:19635754
database_cross_reference: PMID:19765629
database_cross_reference: PMID:19825861
database_cross_reference: PMID:19928203
database_cross_reference: PMID:19969016
database_cross_reference: PMID:20347282
database_cross_reference: PMID:20837561
database_cross_reference: PMID:21430649
database_cross_reference: PMID:21655021
database_cross_reference: PMID:21731073
database_cross_reference: PMID:21802510
database_cross_reference: PMID:21840036
database_cross_reference: Reaxys:635760
has_exact_synonym: TOLUENE
definition: The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
has_related_synonym: Toluen
has_exact_synonym: Toluene
has_related_synonym: Toluol
database_cross_reference: UM-BBD_compID:c0114
database_cross_reference: Wikipedia:Toluene
has_related_synonym: YXFVVABEGXRONW-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: methylbenzene
has_related_synonym: phenylmethane
has_exact_synonym: toluene
imported from: chebi.owl

beta-carotene
type: Class
subclass of: cyclic carotene
subclass of: Restriction
  on property: has role
  some values from: biological pigment
has_related_synonym: 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)
has_related_synonym: 536.87264
definition: A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid.
has_exact_synonym: BETA-CAROTENE
database_cross_reference: Beilstein:1917416
has_related_synonym: C40H56
database_cross_reference: CAS:7235-40-7
has_related_synonym: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
has_alternative_id: CHEBI:10355
has_alternative_id: CHEBI:12392
id: CHEBI:17579
has_alternative_id: CHEBI:22834
has_alternative_id: CHEBI:40987
database_cross_reference: COMe:MOL000093
database_cross_reference: HMDB:HMDB00561
database_cross_reference: KEGG:C02094
database_cross_reference: KEGG:D03101
database_cross_reference: KNApSAcK:C00000919
database_cross_reference: LIPID_MAPS_instance:LMPR01070000
database_cross_reference: LIPID_MAPS_instance:LMPR01070001
database_cross_reference: MetaCyc:CPD1F-129
has_related_synonym: OENHQHLEOONYIE-JLTXGRSLSA-N
database_cross_reference: PDBeChem:BCR
database_cross_reference: PMID:11171227
database_cross_reference: PMID:11182771
database_cross_reference: PMID:11332447
database_cross_reference: PMID:11359610
database_cross_reference: PMID:11382814
database_cross_reference: PMID:11567548
database_cross_reference: PMID:11677037
database_cross_reference: PMID:11714348
database_cross_reference: PMID:11962062
database_cross_reference: PMID:12081834
database_cross_reference: PMID:12891827
database_cross_reference: PMID:14658721
database_cross_reference: PMID:14764912
database_cross_reference: PMID:14976384
database_cross_reference: PMID:14997360
database_cross_reference: PMID:15113067
database_cross_reference: PMID:15333155
database_cross_reference: PMID:15695449
database_cross_reference: PMID:15789045
database_cross_reference: PMID:15909543
database_cross_reference: PMID:15949680
database_cross_reference: PMID:15949683
database_cross_reference: PMID:16036331
database_cross_reference: PMID:16087476
database_cross_reference: PMID:16338959
database_cross_reference: PMID:16563447
database_cross_reference: PMID:17004738
database_cross_reference: PMID:17625873
database_cross_reference: PMID:17708644
database_cross_reference: PMID:17851775
database_cross_reference: PMID:18429004
database_cross_reference: PMID:18766464
database_cross_reference: PMID:18767554
database_cross_reference: PMID:18794175
database_cross_reference: PMID:19480350
database_cross_reference: PMID:19574250
database_cross_reference: PMID:19669835
database_cross_reference: PMID:19703237
database_cross_reference: PMID:19852884
database_cross_reference: PMID:19888275
database_cross_reference: PMID:19896667
database_cross_reference: PMID:19937581
database_cross_reference: PMID:20074992
database_cross_reference: PMID:20515074
database_cross_reference: PMID:22079732
database_cross_reference: PMID:22309480
database_cross_reference: PMID:22428124
database_cross_reference: PMID:22489215
database_cross_reference: PMID:22534340
database_cross_reference: PMID:22575730
database_cross_reference: Reaxys:1917416
database_cross_reference: Wikipedia:Beta_Carotene
has_related_synonym: all-trans-beta-carotene
has_exact_synonym: beta,beta-carotene

linalool
type: Class
subclass of: monoterpenoid
subclass of: tertiary alcohol
subclass of: Restriction
  on property: has role
  some values from: fragrance
subclass of: Restriction
  on property: has role
  some values from: antimicrobial agent
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 154.24930
has_related_synonym: 2,6-dimethylocta-2,7-dien-6-ol
has_related_synonym: 3,7-Dimethylocta-1,6-dien-3-ol
has_exact_synonym: 3,7-dimethylocta-1,6-dien-3-ol
definition: A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.
database_cross_reference: Beilstein:1362385
has_related_synonym: C10H18O
database_cross_reference: CAS:78-70-6
has_related_synonym: CC(C)=CCCC(C)(O)C=C
has_related_synonym: CDOSHBSSFJOMGT-UHFFFAOYSA-N
has_alternative_id: CHEBI:11712
has_alternative_id: CHEBI:1417
id: CHEBI:17580
has_alternative_id: CHEBI:19917
database_cross_reference: Gmelin:406448
database_cross_reference: HMDB:HMDB36100
has_related_synonym: InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
database_cross_reference: KEGG:C03985
database_cross_reference: KNApSAcK:C00003047
database_cross_reference: LIPID_MAPS_instance:LMPR0102010004
has_exact_synonym: Linalool
database_cross_reference: PMID:18695915
database_cross_reference: PMID:24570447
database_cross_reference: PMID:24758511
database_cross_reference: Reaxys:1362385
database_cross_reference: Wikipedia:Linalool
has_related_synonym: beta-linalool
has_obo_namespace: chebi_ontology
has_exact_synonym: linalool
has_related_synonym: linalyl alcohol
imported from: chebi.owl

D-aldohexose
type: Class
subclass of: aldohexose
subclass of: D-hexose
definition: Any D-aldose having a chain of six carbon atoms in the molecule.
has_related_synonym: C6H12O6
has_alternative_id: CHEBI:12990
id: CHEBI:17608
has_alternative_id: CHEBI:21038
has_exact_synonym: D-aldohexose
has_related_synonym: D-aldohexoses
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ferulic acid
type: Class
subclass of: ferulic acids
subclass of: Restriction
  on property: has role
  some values from: MALDI matrix material
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: cardioprotective agent
subclass of: Restriction
  on property: has role
  some values from: apoptosis inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: ferulate
has_exact_synonym: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
has_related_synonym: (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
has_related_synonym: (E)-4'-hydroxy-3'-methoxycinnamic acid
has_related_synonym: (E)-4-Hydroxy-3-methoxycinnamic acid
has_related_synonym: (E)-Ferulic acid
has_related_synonym: 194.18400
has_related_synonym: 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid
has_related_synonym: 3-methoxy-4-hydroxy-trans-cinnamic acid
has_related_synonym: 4-Hydroxy-3-methoxycinnamic acid
has_related_synonym: 4-hydroxy-3-methoxycinnamic acid
definition: A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring.
has_related_synonym: C10H10O4
database_cross_reference: CAS:1135-24-6
database_cross_reference: CAS:537-98-4
has_alternative_id: CHEBI:14260
id: CHEBI:17620
has_alternative_id: CHEBI:24030
has_alternative_id: CHEBI:42445
has_alternative_id: CHEBI:5046
has_related_synonym: COc1cc(\C=C\C(O)=O)ccc1O
has_exact_synonym: Ferulic acid
database_cross_reference: HMDB:HMDB00954
has_related_synonym: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
database_cross_reference: KEGG:C01494
database_cross_reference: KNApSAcK:C00002743
has_related_synonym: KSEBMYQBYZTDHS-HWKANZROSA-N
database_cross_reference: MetaCyc:FERULIC-ACID
database_cross_reference: PDBeChem:FER
database_cross_reference: PMID:11041377
database_cross_reference: PMID:11982438
database_cross_reference: PMID:12529986
database_cross_reference: PMID:15162367
database_cross_reference: PMID:15309442
database_cross_reference: PMID:16011737
database_cross_reference: PMID:16185284
database_cross_reference: PMID:18582080
database_cross_reference: PMID:18651237
database_cross_reference: PMID:18707110
database_cross_reference: PMID:18795822
database_cross_reference: PMID:19594750
database_cross_reference: PMID:8821508
database_cross_reference: Reaxys:1570363
database_cross_reference: Wikipedia:Ferulic_Acid
has_obo_namespace: chebi_ontology
has_related_synonym: trans-4-Hydroxy-3-methoxycinnamic acid
has_related_synonym: trans-Ferulic acid
imported from: chebi.owl

D-glucose
type: Class
subclass of: glucose
subclass of: D-aldohexose
has_related_synonym: 180.15588
definition: A glucose with D-configuration.
has_related_synonym: C6H12O6
database_cross_reference: CAS:50-99-7
has_alternative_id: CHEBI:12965
id: CHEBI:17634
has_alternative_id: CHEBI:20999
has_related_synonym: D(+)-glucose
has_related_synonym: D-(+)-glucose
has_exact_synonym: D-gluco-hexose
has_exact_synonym: D-glucose
has_related_synonym: Traubenzucker
has_obo_namespace: chebi_ontology
has_related_synonym: dextrose
has_related_synonym: grape sugar
imported from: chebi.owl

ribonucleoside diphosphate
type: Class
subclass of: nucleoside diphosphate
has_related_synonym: 293.083
has_related_synonym: C5H11O10P2R
has_alternative_id: CHEBI:15046
id: CHEBI:17668
has_alternative_id: CHEBI:26557
has_alternative_id: CHEBI:8845
database_cross_reference: KEGG:C03723
has_exact_synonym: Ribonucleoside diphosphate
has_obo_namespace: chebi_ontology
has_exact_synonym: ribonucleoside diphosphate
has_related_synonym: ribonucleoside diphosphates
imported from: chebi.owl

coniferol
type: Class
subclass of: monomethoxybenzene
subclass of: phenylpropanoid
subclass of: phenols
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: (E)-cinnamyl alcohol
subclass of: Restriction
  on property: has role
  some values from: monolignol
has_related_synonym: (E)-coniferol
has_related_synonym: 180.20048
has_related_synonym: 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol
has_related_synonym: 4-(3-hydroxy-1-propenyl)-2-methoxyphenol
has_related_synonym: 4-[(1E)-3-hydroxy-1-propenyl]-2-methoxyphenol
has_exact_synonym: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
definition: A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring.
database_cross_reference: Beilstein:2048963
has_related_synonym: C10H12O3
database_cross_reference: CAS:458-35-5
has_alternative_id: CHEBI:14016
has_alternative_id: CHEBI:14017
id: CHEBI:17745
has_alternative_id: CHEBI:23371
has_alternative_id: CHEBI:3858
has_alternative_id: CHEBI:4730
has_related_synonym: COc1cc(\C=C\CO)ccc1O
has_exact_synonym: Coniferol
has_related_synonym: Coniferyl alcohol
has_related_synonym: InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
has_related_synonym: JMFRWRFFLBVWSI-NSCUHMNNSA-N
database_cross_reference: KEGG:C00590
database_cross_reference: KNApSAcK:C00000614
database_cross_reference: PMID:11430982
database_cross_reference: PMID:11684179
database_cross_reference: PMID:20336005
database_cross_reference: PMID:22920542
database_cross_reference: PMID:23131896
database_cross_reference: PMID:23159486
database_cross_reference: PMID:23188459
database_cross_reference: PMID:23448127
database_cross_reference: PMID:23624856
database_cross_reference: PMID:23633600
database_cross_reference: PMID:23876147
database_cross_reference: PMID:6660881
database_cross_reference: Reaxys:2048963
database_cross_reference: Wikipedia:Coniferyl_alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glycine betaine
type: Class
subclass of: amino-acid betaine
subclass of: glycine derivative
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: N,N,N-trimethylglycinium
has_exact_synonym: (trimethylammonio)acetate
has_related_synonym: (trimethylammoniumyl)acetate
has_related_synonym: 1-carboxy-N,N,N-trimethylmethanaminium inner salt
has_related_synonym: 117.14638
has_related_synonym: 2-N,N,N-trimethylammonio acetate
database_cross_reference: Beilstein:3537113
has_related_synonym: Bet
has_related_synonym: Betaine
has_related_synonym: C5H11NO2
database_cross_reference: CAS:107-43-7
has_alternative_id: CHEBI:13895
has_alternative_id: CHEBI:15264
id: CHEBI:17750
has_alternative_id: CHEBI:22858
has_alternative_id: CHEBI:24370
has_alternative_id: CHEBI:27128
has_alternative_id: CHEBI:3073
has_related_synonym: C[N+](C)(C)CC([O-])=O
has_exact_synonym: Glycine betaine
database_cross_reference: Gmelin:26434
database_cross_reference: HMDB:HMDB00043
has_related_synonym: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
database_cross_reference: KEGG:C00719
database_cross_reference: KEGG:D07523
database_cross_reference: KNApSAcK:C00007291
has_related_synonym: KWIUHFFTVRNATP-UHFFFAOYSA-N
database_cross_reference: MetaCyc:BETAINE
has_related_synonym: N,N,N-Trimethylglycine
has_related_synonym: N,N,N-trimethylammonioacetate
database_cross_reference: PDBeChem:BET
database_cross_reference: PMID:16197300
database_cross_reference: PMID:18326594
database_cross_reference: PMID:20346934
database_cross_reference: PMID:20446114
database_cross_reference: PMID:20642826
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:3537113
definition: The amino acid betaine derived from glycine.
has_related_synonym: Trimethylaminoacetate
has_related_synonym: Trimethylammonioacetate
database_cross_reference: Wikipedia:Trimethylglycine
database_cross_reference: YMDB:YMDB01516
has_related_synonym: abromine
has_related_synonym: acidol
has_related_synonym: betaine
has_obo_namespace: chebi_ontology
has_related_synonym: trimethylglycine
has_related_synonym: trimethylglycocoll
imported from: chebi.owl

methanol
type: Class
subclass of: primary alcohol
subclass of: alkyl alcohol
subclass of: one-carbon compound
subclass of: Restriction
  on property: has role
  some values from: fuel
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: amphiprotic solvent
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Mycoplasma genitalium metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: methoxide
has_related_synonym: 32.04186
database_cross_reference: Beilstein:1098229
database_cross_reference: CAS:67-56-1
has_related_synonym: CH3OH
has_related_synonym: CH4O
has_alternative_id: CHEBI:14588
id: CHEBI:17790
has_alternative_id: CHEBI:25227
has_alternative_id: CHEBI:44080
has_alternative_id: CHEBI:44553
has_alternative_id: CHEBI:6816
has_related_synonym: CO
database_cross_reference: Gmelin:449
database_cross_reference: HMDB:HMDB01875
has_related_synonym: InChI=1S/CH4O/c1-2/h2H,1H3
database_cross_reference: KEGG:C00132
database_cross_reference: KEGG:D02309
has_exact_synonym: METHANOL
has_related_synonym: MeOH
database_cross_reference: MetaCyc:METOH
has_exact_synonym: Methanol
has_related_synonym: Methyl alcohol
has_related_synonym: Methylalkohol
has_related_synonym: OKKJLVBELUTLKV-UHFFFAOYSA-N
database_cross_reference: PDBeChem:MOH
database_cross_reference: PMID:11141607
database_cross_reference: PMID:11430978
database_cross_reference: PMID:11489599
database_cross_reference: PMID:11680737
database_cross_reference: PMID:11684179
database_cross_reference: PMID:14012711
database_cross_reference: PMID:14678513
database_cross_reference: PMID:14760634
database_cross_reference: PMID:15172721
database_cross_reference: PMID:15906011
database_cross_reference: PMID:16705261
database_cross_reference: PMID:17451998
database_cross_reference: PMID:17733096
database_cross_reference: PMID:19064074
database_cross_reference: PMID:19850112
database_cross_reference: PMID:20314698
database_cross_reference: Reaxys:1098229
definition: The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.
database_cross_reference: UM-BBD_compID:c0132
database_cross_reference: Wikipedia:Methanol
has_related_synonym: carbinol
has_obo_namespace: chebi_ontology
has_exact_synonym: methanol
has_related_synonym: spirit of wood
has_related_synonym: wood alcohol
has_related_synonym: wood naphtha
has_related_synonym: wood spirit
imported from: chebi.owl

serine
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: is tautomer of
  some values from: serine zwitterion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: serinate
subclass of: Restriction
  on property: is conjugate base of
  some values from: serinium
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has part
  some values from: hydroxymethyl group
has_related_synonym: 105.09262
has_related_synonym: 2-Amino-3-hydroxypropionic acid
has_related_synonym: 2-amino-3-hydroxypropanoic acid
has_related_synonym: 3-Hydroxyalanine
definition: An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.
database_cross_reference: Beilstein:1721402
has_related_synonym: C3H7NO3
database_cross_reference: CAS:302-84-1
has_alternative_id: CHEBI:15081
id: CHEBI:17822
has_alternative_id: CHEBI:26648
has_alternative_id: CHEBI:9116
database_cross_reference: Gmelin:26429
has_related_synonym: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
database_cross_reference: KEGG:C00716
database_cross_reference: KNApSAcK:C00001393
has_related_synonym: MTCFGRXMJLQNBG-UHFFFAOYSA-N
has_related_synonym: NC(CO)C(O)=O
database_cross_reference: Reaxys:1721402
has_related_synonym: Serin
has_exact_synonym: Serine
database_cross_reference: Wikipedia:Serine
has_obo_namespace: chebi_ontology
has_exact_synonym: serine
imported from: chebi.owl

(S)-naringenin
type: Class
subclass of: naringenin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: expectorant
subclass of: Restriction
  on property: is conjugate acid of
  some values from: (S)-naringenin(1-)
subclass of: Restriction
  on property: is enantiomer of
  some values from: (R)-naringenin
has_related_synonym: (-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
has_related_synonym: (-)-(2S)-Naringenin
has_related_synonym: (-)-(2S)-naringenin
has_exact_synonym: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
has_related_synonym: (2S)-Naringenin
has_related_synonym: (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
has_exact_synonym: (S)-naringenin
has_related_synonym: 272.25280
has_related_synonym: 4',5,7-Trihydroxyflavanone
has_related_synonym: 4',5,7-trihydroxyflavanone
has_related_synonym: C15H12O5
database_cross_reference: CAS:480-41-1
has_alternative_id: CHEBI:14640
id: CHEBI:17846
has_alternative_id: CHEBI:25484
has_alternative_id: CHEBI:25488
has_alternative_id: CHEBI:44288
has_alternative_id: CHEBI:7483
database_cross_reference: DrugBank:DB03467
has_related_synonym: FTVWIRXFELQLPI-ZDUSSCGKSA-N
database_cross_reference: HMDB:HMDB02670
has_related_synonym: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
database_cross_reference: KEGG:C00509
database_cross_reference: KNApSAcK:C00000982
database_cross_reference: LIPID_MAPS_instance:LMPK12140001
database_cross_reference: MetaCyc:NARINGENIN-CMPD
has_related_synonym: NARINGENIN
has_related_synonym: Naringenin
database_cross_reference: PDBeChem:NAR
database_cross_reference: PMID:11093936
database_cross_reference: PMID:17664077
database_cross_reference: Reaxys:90699
definition: The (S)-enantiomer of naringenin.
database_cross_reference: Wikipedia:Naringenin
has_obo_namespace: chebi_ontology
has_related_synonym: naringetol
has_related_synonym: pelargidanon
has_related_synonym: salipurpol
imported from: chebi.owl

glutaric acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glutarate
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glutarate(1-)
has_related_synonym: 1,3-Propanedicarboxylic acid
has_related_synonym: 1,5-pentanedioic acid
has_related_synonym: 132.11462
definition: An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.
database_cross_reference: Beilstein:1209725
has_related_synonym: C5H8O4
database_cross_reference: CAS:110-94-1
id: CHEBI:17859
has_alternative_id: CHEBI:24330
has_alternative_id: CHEBI:43097
has_alternative_id: CHEBI:5434
database_cross_reference: DrugBank:DB03553
has_exact_synonym: GLUTARIC ACID
has_exact_synonym: Glutaric acid
has_related_synonym: Glutarsaeure
database_cross_reference: Gmelin:26809
database_cross_reference: HMDB:HMDB00661
has_related_synonym: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
has_related_synonym: JFCQEDHGNNZCLN-UHFFFAOYSA-N
database_cross_reference: KEGG:C00489
database_cross_reference: KNApSAcK:C00001184
database_cross_reference: LIPID_MAPS_instance:LMFA01170046
has_related_synonym: OC(=O)CCCC(O)=O
database_cross_reference: PDBeChem:GUA
database_cross_reference: PMID:24297153
database_cross_reference: PMID:24587932
database_cross_reference: PMID:24900967
has_related_synonym: Pentanedioic acid
database_cross_reference: Reaxys:1209725
database_cross_reference: Wikipedia:Glutaric_acid
has_obo_namespace: chebi_ontology
has_exact_synonym: pentanedioic acid
imported from: chebi.owl

donor
type: Class
subclass of: chemical role
definition: A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity.
has_alternative_id: CHEBI:14202
id: CHEBI:17891
has_alternative_id: CHEBI:4697
has_related_synonym: Donator
has_exact_synonym: Donor
database_cross_reference: KEGG:C01351
has_obo_namespace: chebi_ontology
has_related_synonym: donneur
has_exact_synonym: donor
imported from: chebi.owl

all-trans-retinal
type: Class
subclass of: retinal
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: gap junctional intercellular communication inhibitor
has_exact_synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
has_related_synonym: 284.43572
definition: A retinal in which all four exocyclic double bonds have E- (trans-) geometry.
has_related_synonym: C20H28O
database_cross_reference: CAS:116-31-4
has_alternative_id: CHEBI:12776
id: CHEBI:17898
has_alternative_id: CHEBI:22348
has_alternative_id: CHEBI:8814
database_cross_reference: HMDB:HMDB01358
has_related_synonym: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
database_cross_reference: KEGG:C00376
database_cross_reference: LIPID_MAPS_instance:LMPR01090002
database_cross_reference: MetaCyc:RETINAL
has_related_synonym: NCYCYZXNIZJOKI-OVSJKPMPSA-N
database_cross_reference: PDBeChem:RET
database_cross_reference: PMID:12168520
database_cross_reference: PMID:15500295
database_cross_reference: PMID:15686550
database_cross_reference: PMID:15724104
database_cross_reference: PMID:16054134
database_cross_reference: PMID:16128572
database_cross_reference: PMID:17326003
database_cross_reference: PMID:21447403
database_cross_reference: PMID:21995425
database_cross_reference: PMID:22162152
database_cross_reference: PMID:22198730
database_cross_reference: PMID:22220722
database_cross_reference: PMID:22417174
database_cross_reference: PMID:22428905
database_cross_reference: PMID:22431612
database_cross_reference: PMID:22515697
database_cross_reference: PMID:22529810
database_cross_reference: PMID:22559266
database_cross_reference: PMID:22621924
database_cross_reference: PMID:22841964
database_cross_reference: PMID:22879987
has_related_synonym: Retinal
has_related_synonym: Retinene
has_related_synonym: Vitamin A aldehyde
database_cross_reference: Wikipedia:Retinal
has_exact_synonym: all-trans-Retinal
has_related_synonym: all-trans-Retinene
has_related_synonym: all-trans-Vitamin A aldehyde
has_exact_synonym: all-trans-retinal
has_related_synonym: all-trans-retinaldehyde
has_obo_namespace: chebi_ontology
has_related_synonym: retinaldehyde
imported from: chebi.owl

pipecolic acid
type: Class
subclass of: piperidinemonocarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: pipecolate
has_related_synonym: 129.15700
has_related_synonym: 2-piperidinecarboxylic acid
definition: A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.
database_cross_reference: Beilstein:112883
database_cross_reference: Beilstein:81095
has_related_synonym: C6H11NO2
database_cross_reference: CAS:535-75-1
id: CHEBI:17964
has_alternative_id: CHEBI:26142
database_cross_reference: ECMDB:ECMDB21385
database_cross_reference: Gmelin:68953
database_cross_reference: HMDB:HMDB00070
has_related_synonym: HXEACLLIILLPRG-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
has_related_synonym: OC(=O)C1CCCCN1
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:81095
database_cross_reference: Wikipedia:Pipecolic_acid
database_cross_reference: YMDB:YMDB01675
has_obo_namespace: chebi_ontology
has_related_synonym: homoproline
has_related_synonym: pipecolinic acid
has_exact_synonym: piperidine-2-carboxylic acid
imported from: chebi.owl

isoorientin
type: Class
subclass of: tetrahydroxyflavone
subclass of: flavone C-glycoside
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has functional parent
  some values from: luteolin
subclass of: Restriction
  on property: has role
  some values from: radical scavenger
subclass of: Restriction
  on property: is conjugate acid of
  some values from: isoorientin(1-)
has_exact_synonym: (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
has_related_synonym: 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
has_related_synonym: 448.37690
definition: A flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position.
has_related_synonym: C21H20O11
database_cross_reference: CAS:4261-42-1
has_alternative_id: CHEBI:14471
id: CHEBI:17965
has_alternative_id: CHEBI:24905
has_alternative_id: CHEBI:6034
has_related_synonym: Homoorientin
has_related_synonym: InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
has_exact_synonym: Isoorientin
database_cross_reference: KEGG:C01821
database_cross_reference: KNApSAcK:C00001055
database_cross_reference: LIPID_MAPS_instance:LMPK12110469
has_related_synonym: Luteolin-6-C-beta-D-glucoside
has_related_synonym: ODBRNZZJSYPIDI-VJXVFPJBSA-N
database_cross_reference: PMID:21080643
database_cross_reference: PMID:22529049
database_cross_reference: PMID:22948221
database_cross_reference: PMID:22980875
database_cross_reference: PMID:23026832
database_cross_reference: PMID:23220614
database_cross_reference: Reaxys:68256
database_cross_reference: Wikipedia:Isoorientin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

butyrate
type: Class
subclass of: fatty acid anion 4:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: butyric acid
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 3.5.1.98 (histone deacetylase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 1-butanoate
has_related_synonym: 1-butyrate
has_related_synonym: 1-propanecarboxylate
has_related_synonym: 87.09718
definition: A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.
database_cross_reference: Beilstein:3601060
has_related_synonym: C4H7O2
database_cross_reference: CAS:461-55-2
has_related_synonym: CCCC([O-])=O
has_related_synonym: CH3-[CH2]2-COO(-)
has_alternative_id: CHEBI:13924
id: CHEBI:17968
has_alternative_id: CHEBI:22946
has_related_synonym: FERIUCNNQQJTOY-UHFFFAOYSA-M
database_cross_reference: Gmelin:324289
has_related_synonym: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
database_cross_reference: KEGG:C00246
database_cross_reference: MetaCyc:BUTYRIC_ACID
database_cross_reference: PMID:17190852
database_cross_reference: PMID:7496326
database_cross_reference: Reaxys:3601060
database_cross_reference: UM-BBD_compID:c0035
has_related_synonym: butanate
has_related_synonym: butanoate
has_exact_synonym: butanoate
has_related_synonym: butanoic acid, ion(1-)
has_exact_synonym: butyrate
has_obo_namespace: chebi_ontology
has_related_synonym: n-butanoate
has_related_synonym: n-butyrate
has_related_synonym: propanecarboxylate
has_related_synonym: propylformate
imported from: chebi.owl

acyl-CoA
type: Class
subclass of: thioester
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: acyl donor
subclass of: Restriction
  on property: has functional parent
  some values from: coenzyme A
subclass of: Restriction
  on property: is conjugate acid of
  some values from: acyl-CoA(4-)
has_related_synonym: 794.53600
definition: A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid.
has_related_synonym: Acyl coenzyme A
has_exact_synonym: Acyl-CoA
has_related_synonym: C22H35N7O17P3SR
database_cross_reference: CAS:9029-97-4
has_alternative_id: CHEBI:13727
has_alternative_id: CHEBI:13802
id: CHEBI:17984
has_alternative_id: CHEBI:22223
has_alternative_id: CHEBI:2455
database_cross_reference: KEGG:C00040
database_cross_reference: PMID:11264983
database_cross_reference: PMID:11524729
database_cross_reference: PMID:16495773
database_cross_reference: PMID:21514367
database_cross_reference: PMID:21541677
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzyl alcohol
type: Class
subclass of: benzyl alcohols
subclass of: Restriction
  on property: has role
  some values from: fragrance
subclass of: Restriction
  on property: has role
  some values from: solvent
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_related_synonym: (hydroxymethyl)benzene
has_related_synonym: 108.13782
definition: An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.
has_related_synonym: Aromatic alcohol
database_cross_reference: Beilstein:878307
has_related_synonym: Benzenemethanol
has_exact_synonym: Benzyl alcohol
has_related_synonym: Benzylalkohol
has_related_synonym: C7H8O
database_cross_reference: CAS:100-51-6
has_alternative_id: CHEBI:13888
id: CHEBI:17987
has_alternative_id: CHEBI:22742
has_alternative_id: CHEBI:3053
database_cross_reference: Gmelin:26514
database_cross_reference: HMDB:HMDB03119
has_related_synonym: Hydroxymethylbenzene
has_related_synonym: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
database_cross_reference: KEGG:C00556
database_cross_reference: KEGG:C03485
database_cross_reference: KEGG:D00077
database_cross_reference: KNApSAcK:C00029811
database_cross_reference: MetaCyc:BENZYL-ALCOHOL
has_related_synonym: OCc1ccccc1
database_cross_reference: PMID:11766131
database_cross_reference: PMID:21557223
database_cross_reference: PMID:22036973
has_related_synonym: Phenylcarbinol
has_related_synonym: Phenylmethanol
database_cross_reference: Reaxys:878307
database_cross_reference: UM-BBD_compID:c0278
has_related_synonym: WVDDGKGOMKODPV-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Benzyl_Alcohol
has_related_synonym: alcoholum benzylicum
has_related_synonym: alcool benzylique
has_related_synonym: alpha-Hydroxytoluene
has_related_synonym: alpha-toluenol
has_related_synonym: benzenecarbinol
has_exact_synonym: benzyl alcohol
has_related_synonym: benzylic alcohol
has_obo_namespace: chebi_ontology
has_exact_synonym: phenylmethanol
has_related_synonym: phenylmethyl alcohol
imported from: chebi.owl

(-)-secologanin
type: Class
subclass of: aldehyde
subclass of: beta-D-glucoside
subclass of: methyl ester
subclass of: pyrans
subclass of: iridoid monoterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (-)-Secologanin
has_related_synonym: 3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-2H-pyran-5-carboxylic acid, methyl ester
has_related_synonym: 388.367
definition: An iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer).
database_cross_reference: Beilstein:1441446
has_related_synonym: C17H24O10
database_cross_reference: CAS:19351-63-4
has_alternative_id: CHEBI:15070
id: CHEBI:18002
has_alternative_id: CHEBI:18500
has_alternative_id: CHEBI:45549
has_alternative_id: CHEBI:9076
has_related_synonym: CSKKDSFETGLMSB-NRZPKYKESA-N
has_related_synonym: InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
database_cross_reference: KEGG:C01852
database_cross_reference: KNApSAcK:C00003098
database_cross_reference: LIPID_MAPS_instance:LMPR0102070002
has_related_synonym: METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
database_cross_reference: MetaCyc:SECOLOGANIN-CPD
database_cross_reference: PDBeChem:SCG
database_cross_reference: PMID:24104568
database_cross_reference: PMID:26285573
database_cross_reference: Reaxys:1441446
has_related_synonym: Secologanin
database_cross_reference: Wikipedia:Secologanin
has_obo_namespace: chebi_ontology
has_exact_synonym: methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate
has_related_synonym: methyl (2S,3R,4S)-4-(formylmethyl)-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-vinyl-2H-pyran-5-carboxylate
has_related_synonym: secologanin
imported from: chebi.owl

fumaric acid
type: Class
subclass of: butenedioic acid
subclass of: Restriction
  on property: has role
  some values from: food acidity regulator
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: fumarate(1-)
has_related_synonym: (2E)-2-butenedioic acid
has_exact_synonym: (2E)-but-2-enedioic acid
has_related_synonym: (E)-2-butenedioic acid
has_related_synonym: 116.07220
definition: A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.
database_cross_reference: Beilstein:605763
has_related_synonym: C4H4O4
database_cross_reference: CAS:110-17-8
id: CHEBI:18012
has_alternative_id: CHEBI:24124
has_alternative_id: CHEBI:42743
has_alternative_id: CHEBI:5190
has_related_synonym: E297
has_exact_synonym: FUMARIC ACID
has_exact_synonym: Fumaric acid
has_related_synonym: Fumarsaeure
database_cross_reference: Gmelin:49855
database_cross_reference: HMDB:HMDB00134
has_related_synonym: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
database_cross_reference: KEGG:C00122
database_cross_reference: KEGG:D02308
database_cross_reference: KNApSAcK:C00001183
database_cross_reference: MetaCyc:FUM
has_related_synonym: OC(=O)\C=C\C(O)=O
database_cross_reference: PDBeChem:FUM
database_cross_reference: PMID:17439666
database_cross_reference: PMID:21414846
database_cross_reference: PMID:22113915
database_cross_reference: PMID:22217732
database_cross_reference: PMID:22516248
database_cross_reference: Reaxys:605763
has_related_synonym: VZCYOOQTPOCHFL-OWOJBTEDSA-N
database_cross_reference: Wikipedia:Fumaric_Acid
has_obo_namespace: chebi_ontology
has_related_synonym: trans-1,2-ethylenedicarboxylic acid
has_related_synonym: trans-Butenedioic acid
has_related_synonym: trans-but-2-enedioic acid
imported from: chebi.owl

loganate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: loganic acid
has_exact_synonym: (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
has_related_synonym: 375.34782
definition: A monocarboxylic acid anion that has formula C16H23O10.
has_related_synonym: C16H23O10
has_alternative_id: CHEBI:14524
id: CHEBI:18052
has_alternative_id: CHEBI:25067
has_related_synonym: InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/p-1/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
has_related_synonym: JNNGEAWILNVFFD-CDJYTOATSA-M
database_cross_reference: KEGG:C01512
has_obo_namespace: chebi_ontology
imported from: chebi.owl

lipid
type: Class
subclass of: organic molecular entity
definition: 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids.
has_alternative_id: CHEBI:14517
id: CHEBI:18059
has_alternative_id: CHEBI:25054
has_alternative_id: CHEBI:6486
database_cross_reference: KEGG:C01356
has_exact_synonym: Lipid
has_obo_namespace: chebi_ontology
has_exact_synonym: lipids
imported from: chebi.owl

formononetin
type: Class
subclass of: methoxyisoflavone
subclass of: 7-hydroxyisoflavones
subclass of: Restriction
  on property: has functional parent
  some values from: daidzein
subclass of: Restriction
  on property: is conjugate acid of
  some values from: formononetin(1-)
subclass of: Restriction
  on property: has role
  some values from: phytoestrogen
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 268.26410
has_related_synonym: 4'-O-methyldaidzein
has_related_synonym: 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone
has_related_synonym: 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
has_related_synonym: 7-Hydroxy-4'-methoxyisoflavone
has_related_synonym: 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one
has_exact_synonym: 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
definition: A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'.
database_cross_reference: Beilstein:1288158
has_related_synonym: C16H12O4
database_cross_reference: CAS:485-72-3
has_alternative_id: CHEBI:14279
id: CHEBI:18088
has_alternative_id: CHEBI:18194
has_alternative_id: CHEBI:24086
has_alternative_id: CHEBI:5146
has_related_synonym: COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
has_exact_synonym: Formononetin
has_related_synonym: HKQYGTCOTHHOMP-UHFFFAOYSA-N
database_cross_reference: HMDB:HMDB05808
has_related_synonym: InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
database_cross_reference: KEGG:C00858
database_cross_reference: KNApSAcK:C00002525
database_cross_reference: LINCS:LSM-19000
database_cross_reference: LIPID_MAPS_instance:LMPK12050037
database_cross_reference: MetaCyc:FORMONONETIN
database_cross_reference: PMID:16108819
database_cross_reference: PMID:24023812
database_cross_reference: Reaxys:237979
database_cross_reference: Wikipedia:Formononetin
has_related_synonym: biochanin B
has_obo_namespace: chebi_ontology
has_related_synonym: formononetol
imported from: chebi.owl

hexose
type: Class
subclass of: monosaccharide
definition: Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose).
has_alternative_id: CHEBI:14399
id: CHEBI:18133
has_alternative_id: CHEBI:24590
has_alternative_id: CHEBI:5709
has_exact_synonym: Hexose
database_cross_reference: KEGG:C00738
has_obo_namespace: chebi_ontology
has_exact_synonym: hexose
has_related_synonym: hexoses
imported from: chebi.owl

catechol
type: Class
subclass of: catechols
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: catecholate(1-)
subclass of: Restriction
  on property: has role
  some values from: genotoxin
subclass of: Restriction
  on property: has role
  some values from: allelochemical
has_related_synonym: 1,2-Benzenediol
has_related_synonym: 1,2-Dihydroxybenzene
has_related_synonym: 110.11064
has_related_synonym: 2-hydroxyphenol
definition: A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.
database_cross_reference: Beilstein:471401
has_related_synonym: Brenzcatechin
has_related_synonym: C6H6O2
database_cross_reference: CAS:120-80-9
database_cross_reference: CAS:12385-08-9
has_alternative_id: CHEBI:135158
has_alternative_id: CHEBI:13950
id: CHEBI:18135
has_alternative_id: CHEBI:23054
has_alternative_id: CHEBI:3467
has_alternative_id: CHEBI:41441
has_exact_synonym: Catechol
database_cross_reference: DrugBank:DB02232
database_cross_reference: Gmelin:2936
database_cross_reference: HMDB:HMDB00957
has_related_synonym: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
database_cross_reference: KEGG:C00090
database_cross_reference: KEGG:C01785
database_cross_reference: KEGG:C15571
database_cross_reference: KNApSAcK:C00002644
database_cross_reference: MetaCyc:CATECHOL
has_related_synonym: Oc1ccccc1O
database_cross_reference: PDBeChem:CAQ
database_cross_reference: PMID:10651166
database_cross_reference: PMID:11470755
database_cross_reference: PMID:15951152
database_cross_reference: PMID:16610220
has_related_synonym: Pyrocatechol
database_cross_reference: Reaxys:471401
database_cross_reference: UM-BBD_compID:c0097
database_cross_reference: Wikipedia:Catechol
has_related_synonym: YCIMNLLNPGFGHC-UHFFFAOYSA-N
has_related_synonym: alpha-hydroxyphenol
has_exact_synonym: benzene-1,2-diol
has_exact_synonym: catechol
has_obo_namespace: chebi_ontology
has_related_synonym: o-Benzenediol
has_related_synonym: o-hydroxyphenol
has_related_synonym: pyrocatechin
imported from: chebi.owl

polysaccharide
type: Class
subclass of: carbohydrate
subclass of: biomacromolecule
definition: A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues.
has_alternative_id: CHEBI:14864
id: CHEBI:18154
has_alternative_id: CHEBI:26205
has_alternative_id: CHEBI:8322
has_related_synonym: Glycan
has_related_synonym: Glycane
has_related_synonym: Glykan
has_related_synonym: Glykane
database_cross_reference: KEGG:C00420
has_exact_synonym: Polysaccharide
has_obo_namespace: chebi_ontology
has_related_synonym: glycans
has_related_synonym: polisacarido
has_related_synonym: polisacaridos
has_exact_synonym: polysaccharide
has_exact_synonym: polysaccharides
imported from: chebi.owl

isoflavone
type: Class
subclass of: isoflavones
has_related_synonym: 222.23870
has_related_synonym: 3-Phenylchromone
has_related_synonym: 3-phenyl-4H-1-benzopyran-4-one
has_exact_synonym: 3-phenyl-4H-chromen-4-one
definition: A simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group.
database_cross_reference: Beilstein:157731
has_related_synonym: C15H10O2
database_cross_reference: CAS:574-12-9
has_alternative_id: CHEBI:14467
id: CHEBI:18220
has_alternative_id: CHEBI:24892
has_alternative_id: CHEBI:6013
has_related_synonym: GOMNOOKGLZYEJT-UHFFFAOYSA-N
database_cross_reference: Gmelin:1224833
has_related_synonym: InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
has_related_synonym: Isoflavon
has_exact_synonym: Isoflavone
database_cross_reference: KEGG:C00799
database_cross_reference: LIPID_MAPS_instance:LMPK12050000
has_related_synonym: O=c1c(coc2ccccc12)-c1ccccc1
database_cross_reference: Reaxys:157731
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glutamic acid
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glutamate(1-)
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has part
  some values from: 2-carboxyethyl group
has_related_synonym: 147.12930
has_related_synonym: 2-Aminoglutaric acid
has_exact_synonym: 2-aminopentanedioic acid
definition: An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.
database_cross_reference: Beilstein:1723799
has_related_synonym: C5H9NO4
database_cross_reference: CAS:617-65-2
id: CHEBI:18237
has_alternative_id: CHEBI:24314
has_alternative_id: CHEBI:5431
has_related_synonym: DL-Glutamic acid
has_related_synonym: DL-Glutaminic acid
has_related_synonym: E
has_related_synonym: Glu
has_related_synonym: Glutamate
has_exact_synonym: Glutamic acid
has_related_synonym: Glutaminic acid
has_related_synonym: Glutaminsaeure
database_cross_reference: Gmelin:101971
has_related_synonym: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
database_cross_reference: KEGG:C00302
database_cross_reference: KEGG:D04341
database_cross_reference: KNApSAcK:C00001358
database_cross_reference: KNApSAcK:C00019577
has_related_synonym: NC(CCC(O)=O)C(O)=O
database_cross_reference: PMID:15739367
database_cross_reference: PMID:17190852
database_cross_reference: PMID:24616376
database_cross_reference: PMID:24984001
database_cross_reference: Reaxys:1723799
has_related_synonym: WHUUTDBJXJRKMK-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Glutamic_acid
has_obo_namespace: chebi_ontology
has_exact_synonym: glutamic acid
imported from: chebi.owl

iron atom
type: Class
subclass of: iron group element atom
subclass of: Restriction
  on property: has role
  some values from: micronutrient
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_related_synonym: 26Fe
has_related_synonym: 55.84500
definition: An iron group element atom that has atomic number 26.
database_cross_reference: CAS:7439-89-6
has_alternative_id: CHEBI:13322
id: CHEBI:18248
has_alternative_id: CHEBI:24872
has_alternative_id: CHEBI:5974
database_cross_reference: DrugBank:DB01592
has_related_synonym: Eisen
has_related_synonym: Fe
database_cross_reference: HMDB:HMDB15531
has_related_synonym: InChI=1S/Fe
has_related_synonym: Iron
database_cross_reference: KEGG:C00023
database_cross_reference: Reaxys:4122945
database_cross_reference: WebElements:Fe
has_related_synonym: XEEYBQQBJWHFJM-UHFFFAOYSA-N
has_related_synonym: [Fe]
has_obo_namespace: chebi_ontology
has_related_synonym: fer
has_related_synonym: ferrum
has_related_synonym: hierro
has_exact_synonym: iron
has_related_synonym: iron
imported from: chebi.owl

ribonucleoside
type: Class
subclass of: nucleoside
subclass of: dihydroxytetrahydrofuran
definition: Any nucleoside where the sugar component is D-ribose.
has_related_synonym: C5H9O4R
has_alternative_id: CHEBI:13014
has_alternative_id: CHEBI:13015
has_alternative_id: CHEBI:13685
id: CHEBI:18254
has_alternative_id: CHEBI:21085
has_alternative_id: CHEBI:26560
has_alternative_id: CHEBI:4240
has_alternative_id: CHEBI:8844
database_cross_reference: KEGG:C00911
has_related_synonym: OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O
has_exact_synonym: Ribonucleoside
has_related_synonym: a ribonucleoside
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleosides
imported from: chebi.owl

dodecanoate
type: Class
subclass of: straight-chain saturated fatty acid anion
subclass of: medium-chain fatty acid anion
subclass of: fatty acid anion 12:0
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: dodecanoic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-undecanecarboxylate
has_related_synonym: 199.310
definition: A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.
database_cross_reference: Beilstein:3588839
has_related_synonym: C(CCCCCCCC)CCC([O-])=O
has_related_synonym: C12 fatty acid anion
has_related_synonym: C12H23O2
has_related_synonym: CH3-[CH2]10-COO(-)
has_alternative_id: CHEBI:14187
id: CHEBI:18262
has_alternative_id: CHEBI:23863
database_cross_reference: Gmelin:333430
has_related_synonym: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1
database_cross_reference: KEGG:C02679
database_cross_reference: MetaCyc:DODECANOATE
has_related_synonym: POULHZVOKOAJMA-UHFFFAOYSA-M
database_cross_reference: Reaxys:3588839
has_obo_namespace: chebi_ontology
has_exact_synonym: dodecanoate
has_related_synonym: dodecoate
has_related_synonym: dodecylate
has_related_synonym: duodecyclate
has_related_synonym: duodecylate
has_related_synonym: laurate
has_related_synonym: laurostearate
has_related_synonym: n-dodecanoate
has_related_synonym: undecane-1-carboxylate
has_related_synonym: vulvate
imported from: chebi.owl

nucleobase
type: Class
subclass of: organonitrogen heterocyclic compound
has_related_synonym: Base
has_alternative_id: CHEBI:13873
id: CHEBI:18282
has_alternative_id: CHEBI:25598
has_alternative_id: CHEBI:2995
database_cross_reference: KEGG:C00701
definition: That part of DNA or RNA that may be involved in pairing.
database_cross_reference: Wikipedia:Nucleobase
has_related_synonym: a nucleobase
has_obo_namespace: chebi_ontology
has_related_synonym: nucleobases
imported from: chebi.owl

manganese atom
type: Class
subclass of: manganese group element atom
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 25Mn
has_related_synonym: 54.93805
definition: A manganese group element atom that has formula Mn.
database_cross_reference: CAS:7439-96-5
has_alternative_id: CHEBI:13382
id: CHEBI:18291
has_alternative_id: CHEBI:25153
has_alternative_id: CHEBI:6681
has_related_synonym: InChI=1S/Mn
database_cross_reference: KEGG:C00034
has_related_synonym: Mangan
has_related_synonym: Manganese
has_related_synonym: Mn
has_related_synonym: PWHULOQIROXLJO-UHFFFAOYSA-N
database_cross_reference: WebElements:Mn
has_related_synonym: [Mn]
has_obo_namespace: chebi_ontology
has_exact_synonym: manganese
has_related_synonym: manganese
has_related_synonym: manganeso
has_related_synonym: manganum
imported from: chebi.owl

histamine
type: Class
subclass of: imidazoles
subclass of: aralkylamino compound
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: neurotransmitter
subclass of: Restriction
  on property: is conjugate base of
  some values from: histaminium
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 111.14518
has_related_synonym: 1H-Imidazole-4-ethanamine
has_exact_synonym: 2-(1H-imidazol-4-yl)ethanamine
has_related_synonym: 2-(4-Imidazolyl)ethylamine
definition: A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group.
database_cross_reference: Beilstein:2012
has_related_synonym: C5H9N3
database_cross_reference: CAS:51-45-6
has_alternative_id: CHEBI:14401
id: CHEBI:18295
has_alternative_id: CHEBI:24596
has_alternative_id: CHEBI:43187
has_alternative_id: CHEBI:817
database_cross_reference: Gmelin:2968
has_exact_synonym: HISTAMINE
database_cross_reference: HMDB:HMDB00870
has_exact_synonym: Histamine
has_related_synonym: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
database_cross_reference: KEGG:C00388
database_cross_reference: KEGG:D08040
database_cross_reference: KNApSAcK:C00001414
database_cross_reference: MetaCyc:HISTAMINE
has_related_synonym: NCCc1c[nH]cn1
has_related_synonym: NTYJJOPFIAHURM-UHFFFAOYSA-N
database_cross_reference: PDBeChem:HSM
database_cross_reference: PMID:16399866
database_cross_reference: PMID:19547708
database_cross_reference: PMID:19843401
database_cross_reference: PMID:22770225
database_cross_reference: PMID:24101735
database_cross_reference: Reaxys:2012
database_cross_reference: Wikipedia:Histamine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkane
type: Class
subclass of: hydrocarbon
subclass of: aliphatic compound
has_related_synonym: Alkan
has_exact_synonym: Alkane
definition: An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
has_related_synonym: CH3R
has_alternative_id: CHEBI:13435
id: CHEBI:18310
has_alternative_id: CHEBI:22317
has_alternative_id: CHEBI:2576
has_related_synonym: C[*]
database_cross_reference: KEGG:C01371
has_related_synonym: RH
has_related_synonym: alcane
has_related_synonym: alcanes
has_related_synonym: alcano
has_related_synonym: alcanos
has_exact_synonym: alkane
has_exact_synonym: alkanes
has_related_synonym: an alkane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

isovitexin
type: Class
subclass of: C-glycosyl compound
subclass of: trihydroxyflavone
subclass of: Restriction
  on property: has functional parent
  some values from: apigenin
subclass of: Restriction
  on property: is conjugate acid of
  some values from: isovitexin-7-olate
subclass of: Restriction
  on property: has role
  some values from: EC 3.2.1.20 (alpha-glucosidase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
has_related_synonym: 432.37750
has_related_synonym: 6-C-Glucosylapigenin
has_related_synonym: 6-Glucosylapigenin
definition: A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6.
has_related_synonym: Apigenin 6-C-glucoside
has_related_synonym: Apigenin-6-C-glucoside
database_cross_reference: Beilstein:66651
has_related_synonym: C21H20O10
database_cross_reference: CAS:29702-25-8
database_cross_reference: CAS:38953-85-4
has_alternative_id: CHEBI:14482
id: CHEBI:18330
has_alternative_id: CHEBI:22806
has_alternative_id: CHEBI:2771
has_related_synonym: InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
has_exact_synonym: Isovitexin
database_cross_reference: KEGG:C01714
database_cross_reference: KNApSAcK:C00001059
database_cross_reference: LIPID_MAPS_instance:LMPK12110338
has_related_synonym: MYXNWGACZJSMBT-VJXVFPJBSA-N
database_cross_reference: MetaCyc:ISOVITEXIN
database_cross_reference: PMID:16142640
database_cross_reference: PMID:22475010
database_cross_reference: PMID:22683902
database_cross_reference: PMID:23057589
database_cross_reference: Reaxys:66651
has_related_synonym: Saponaretin
database_cross_reference: Wikipedia:Isovitexin
has_related_synonym: beta-D-isovitexin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

vanillin
type: Class
subclass of: benzaldehydes
subclass of: monomethoxybenzene
subclass of: phenols
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: anticonvulsant
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 152.14730
has_related_synonym: 3-methoxy-4-hydroxybenzaldehyde
has_related_synonym: 4-Hydroxy-3-methoxy-benzaldehyde
has_related_synonym: 4-Hydroxy-3-methoxybenzaldehyde
has_related_synonym: 4-formyl-2-methoxyphenol
has_related_synonym: 4-hydroxy-3-methoxybenzaldehyde
has_exact_synonym: 4-hydroxy-3-methoxybenzaldehyde
has_related_synonym: 4-hydroxy-m-anisaldehyde
definition: A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively.
database_cross_reference: Beilstein:472792
has_related_synonym: C8H8O3
database_cross_reference: CAS:121-33-5
has_alternative_id: CHEBI:15302
id: CHEBI:18346
has_alternative_id: CHEBI:1842
has_alternative_id: CHEBI:20380
has_alternative_id: CHEBI:48387
database_cross_reference: Gmelin:3596
has_related_synonym: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
database_cross_reference: KEGG:C00755
database_cross_reference: KEGG:D00091
database_cross_reference: KNApSAcK:C00002683
database_cross_reference: KNApSAcK:C00029531
has_related_synonym: MWOOGOJBHIARFG-UHFFFAOYSA-N
database_cross_reference: PDBeChem:V55
database_cross_reference: UM-BBD_compID:c0193
has_related_synonym: Vanillaldehyde
has_exact_synonym: Vanillin
database_cross_reference: Wikipedia:Vanillin
has_related_synonym: [H]C(=O)c1ccc(O)c(OC)c1
has_obo_namespace: chebi_ontology
has_related_synonym: methylprotocatechuic aldehyde
has_related_synonym: p-hydroxy-m-methoxybenzaldehyde
has_related_synonym: p-vanillin
has_related_synonym: vaniline
has_related_synonym: vanillaldehyde
has_related_synonym: vanillic aldehyde
has_exact_synonym: vanillin
imported from: chebi.owl

methoxsalen
type: Class
subclass of: psoralens
subclass of: aromatic ether
subclass of: Restriction
  on property: has role
  some values from: cross-linking reagent
subclass of: Restriction
  on property: has functional parent
  some values from: psoralen
subclass of: Restriction
  on property: has role
  some values from: dermatologic drug
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: photosensitizing agent
has_related_synonym: 216.18950
has_related_synonym: 6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone
has_related_synonym: 8-MOP
has_related_synonym: 8-MP
has_related_synonym: 8-Methoxyfuranocoumarin
has_related_synonym: 8-Methoxypsoralen
has_related_synonym: 8-methoxy-2',3',6,7-furocoumarin
has_related_synonym: 8-methoxy-4',5':6,7-furocoumarin
has_related_synonym: 8-methoxy-[furano-3'.2':6.7-coumarin]
has_related_synonym: 8-methoxypsoralen
has_related_synonym: 9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
has_exact_synonym: 9-methoxy-7H-furo[3,2-g]chromen-7-one
definition: A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.
database_cross_reference: Beilstein:196453
has_related_synonym: C12H8O4
database_cross_reference: CAS:298-81-7
has_alternative_id: CHEBI:10068
has_alternative_id: CHEBI:101063
has_alternative_id: CHEBI:12268
has_alternative_id: CHEBI:12715
id: CHEBI:18358
has_alternative_id: CHEBI:21960
has_alternative_id: CHEBI:27330
has_alternative_id: CHEBI:27331
has_alternative_id: CHEBI:40342
has_related_synonym: COc1c2occc2cc2ccc(=O)oc12
database_cross_reference: DrugBank:DB00553
database_cross_reference: HMDB:HMDB14693
has_related_synonym: InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
database_cross_reference: KEGG:C01864
database_cross_reference: KEGG:D00139
database_cross_reference: KNApSAcK:C00000576
database_cross_reference: LINCS:LSM-3410
has_exact_synonym: METHOXSALEN
has_related_synonym: Meladinine
has_related_synonym: Meloxine
has_exact_synonym: Methoxsalen
has_related_synonym: O-Methylxanthotoxol
has_related_synonym: O-methylxanthotoxol
has_related_synonym: Oxsoralen
database_cross_reference: PDBeChem:8MO
database_cross_reference: PMID:15009205
database_cross_reference: PMID:7945434
database_cross_reference: Patent:US2889337
has_related_synonym: QXKHYNVANLEOEG-UHFFFAOYSA-N
database_cross_reference: Reaxys:196453
has_related_synonym: Ultra Mop
has_related_synonym: Uvadex
database_cross_reference: Wikipedia:Methoxsalen
has_related_synonym: Xanthotoxin
has_obo_namespace: chebi_ontology
has_related_synonym: xanthotoxin
imported from: chebi.owl

phosphate(3-)
type: Class
subclass of: phosphate ion
subclass of: trivalent inorganic anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: hydrogenphosphate
has_related_synonym: 94.97136
definition: A phosphate ion that is the conjugate base of hydrogenphosphate.
database_cross_reference: Beilstein:3903772
database_cross_reference: CAS:14265-44-2
has_alternative_id: CHEBI:14791
id: CHEBI:18367
has_alternative_id: CHEBI:45024
has_alternative_id: CHEBI:7793
database_cross_reference: Gmelin:1997
has_related_synonym: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
database_cross_reference: KEGG:C00009
has_related_synonym: NBIIXXVUZAFLBC-UHFFFAOYSA-K
has_related_synonym: O4P
has_related_synonym: Orthophosphate
database_cross_reference: PDBeChem:PO4
has_related_synonym: PHOSPHATE ION
has_related_synonym: PO4(3-)
has_related_synonym: Phosphate
database_cross_reference: Reaxys:3903772
has_related_synonym: [O-]P([O-])([O-])=O
has_related_synonym: [PO4](3-)
has_obo_namespace: chebi_ontology
has_exact_synonym: phosphate
has_exact_synonym: tetraoxidophosphate(3-)
has_exact_synonym: tetraoxophosphate(3-)
has_exact_synonym: tetraoxophosphate(V)
imported from: chebi.owl

apigenin
type: Class
subclass of: trihydroxyflavone
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: apigenin-7-olate
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: 2-(p-hydroxyphenyl)-5,7-dihydroxychromone
has_related_synonym: 270.23690
has_related_synonym: 4',5,7-Trihydroxyflavone
has_related_synonym: 5,7,4'-Trihydroxyflavone
has_related_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone
has_related_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
has_exact_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
definition: A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7.
has_exact_synonym: Apigenin
database_cross_reference: Beilstein:262620
has_related_synonym: C.I. Natural Yellow 1
has_related_synonym: C15H10O5
database_cross_reference: CAS:520-36-5
has_alternative_id: CHEBI:12084
id: CHEBI:18388
has_alternative_id: CHEBI:22588
has_alternative_id: CHEBI:2768
database_cross_reference: HMDB:HMDB02124
has_related_synonym: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
database_cross_reference: KEGG:C01477
database_cross_reference: KNApSAcK:C00003817
has_related_synonym: KZNIFHPLKGYRTM-UHFFFAOYSA-N
database_cross_reference: LINCS:LSM-5206
database_cross_reference: LIPID_MAPS_instance:LMPK12110005
database_cross_reference: MetaCyc:CPD-431
has_related_synonym: Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
database_cross_reference: PDBeChem:AGI
database_cross_reference: PMID:23304222
database_cross_reference: PMID:23344191
database_cross_reference: PMID:23354402
database_cross_reference: PMID:23359392
database_cross_reference: Reaxys:262620
database_cross_reference: Wikipedia:Apigenin
has_related_synonym: chamomile
has_obo_namespace: chebi_ontology
has_related_synonym: spigenin
has_related_synonym: versulin
imported from: chebi.owl

phenylacetate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: acetate
subclass of: Restriction
  on property: is conjugate base of
  some values from: phenylacetic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 135.13998
has_related_synonym: 2-phenylethanoate
definition: A monocarboxylic acid anion that is the conjugate base of phenylacetic acid.
database_cross_reference: Beilstein:3539899
has_related_synonym: C8H7O2
has_alternative_id: CHEBI:14779
id: CHEBI:18401
has_alternative_id: CHEBI:25975
database_cross_reference: Gmelin:327522
has_related_synonym: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
database_cross_reference: MetaCyc:PHENYLACETATE
database_cross_reference: Reaxys:3539899
database_cross_reference: UM-BBD_compID:c0211
has_related_synonym: WLJVXDMOQOGPHL-UHFFFAOYSA-M
has_related_synonym: [O-]C(=O)Cc1ccccc1
has_obo_namespace: chebi_ontology
has_exact_synonym: phenylacetate
has_related_synonym: phenylacetate anion
has_related_synonym: phenylacetate(1-)
has_related_synonym: phenylacetic acid anion
imported from: chebi.owl

magnesium(2+)
type: Class
subclass of: monoatomic dication
subclass of: magnesium cation
subclass of: divalent metal cation
has_related_synonym: 24.30500
definition: A magnesium cation that has formula Mg.
database_cross_reference: CAS:22537-22-0
has_alternative_id: CHEBI:13379
id: CHEBI:18420
has_alternative_id: CHEBI:25112
has_alternative_id: CHEBI:49736
has_alternative_id: CHEBI:6635
database_cross_reference: Gmelin:6857
has_related_synonym: InChI=1S/Mg/q+2
has_related_synonym: JLVVSXFLKOJNIY-UHFFFAOYSA-N
database_cross_reference: KEGG:C00305
has_related_synonym: MAGNESIUM ION
has_related_synonym: Mg
has_related_synonym: Mg(2+)
has_related_synonym: Mg2+
database_cross_reference: PDBeChem:MG
has_related_synonym: [Mg++]
has_obo_namespace: chebi_ontology
has_exact_synonym: magnesium cation
has_exact_synonym: magnesium(2+)
has_exact_synonym: magnesium(2+) ion
has_exact_synonym: magnesium(II) cation
has_related_synonym: magnesium, doubly charged positive ion
has_related_synonym: magnesium, ion (Mg(2+))
imported from: chebi.owl

2-(4-hydroxyphenyl)ethanol
type: Class
subclass of: phenols
subclass of: Restriction
  on property: has role
  some values from: protective agent
subclass of: Restriction
  on property: has functional parent
  some values from: 2-phenylethanol
subclass of: Restriction
  on property: has role
  some values from: fungal metabolite
subclass of: Restriction
  on property: has role
  some values from: cardiovascular drug
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: anti-arrhythmia drug
has_related_synonym: 138.16380
has_exact_synonym: 4-(2-hydroxyethyl)phenol
has_related_synonym: 4-Hydroxybenzeneethanol
has_related_synonym: 4-Hydroxyphenylethanol
definition: A phenol substituted at position 4 by a 2-hydroxyethyl group.
has_related_synonym: C8H10O2
database_cross_reference: CAS:501-94-0
id: CHEBI:1879
has_related_synonym: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
database_cross_reference: KEGG:C06044
has_related_synonym: OCCc1ccc(O)cc1
database_cross_reference: PMID:21162532
database_cross_reference: PMID:21381678
database_cross_reference: Reaxys:1859884
has_related_synonym: Tyrosol
database_cross_reference: Wikipedia:Tyrosol
has_related_synonym: YCCILVSKPBXVIP-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: p-Hydroxyphenethyl alcohol
has_related_synonym: tyrosol
imported from: chebi.owl

delta-lactone
type: Class
subclass of: lactone
has_related_synonym: 1,5-lactone
has_related_synonym: 1,5-lactones
definition: A lactone having a six-membered lactone ring.
id: CHEBI:18946
has_obo_namespace: chebi_ontology
has_related_synonym: delta-lactona
has_related_synonym: delta-lactonas
has_exact_synonym: delta-lactone
has_related_synonym: delta-lactones
imported from: chebi.owl

2-hexenal
type: Class
subclass of: hexenal
subclass of: enal
has_related_synonym: 2-hexenaldehyde
has_related_synonym: 3-propyl-acrolein
has_related_synonym: 98.14300
definition: A hexenal having the double bond at the 2-position.
has_related_synonym: C6H10O
database_cross_reference: CAS:505-57-7
id: CHEBI:19591
has_related_synonym: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
has_related_synonym: MBDOYVRWFFCFHM-UHFFFAOYSA-N
database_cross_reference: PMID:20736172
database_cross_reference: PMID:20936263
database_cross_reference: Reaxys:1740988
has_related_synonym: [H]C(=O)C([H])=C([H])CCC
has_related_synonym: alpha,beta-hexylenaldehyde
has_related_synonym: alpha.beta-Hexylenaldehyd
has_related_synonym: beta-propylacrolein
has_obo_namespace: chebi_ontology
has_exact_synonym: hex-2-enal
has_related_synonym: hexen-2-al
has_related_synonym: hexen-2-en-1-al
has_related_synonym: hexylenic aldehyde
has_related_synonym: leaf aldehyde
imported from: chebi.owl

3-hexenal
type: Class
subclass of: hexenal
has_related_synonym: 98.14300
definition: A hexenal carrying an unsaturation at position 3.
has_related_synonym: C6H10O
database_cross_reference: CAS:4440-65-7
has_related_synonym: CCC=CCC=O
id: CHEBI:20030
has_related_synonym: GXANMBISFKBPEX-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3
database_cross_reference: Reaxys:1739452
has_obo_namespace: chebi_ontology
has_exact_synonym: hex-3-enal
imported from: chebi.owl

3-hydroxybutyric acid
type: Class
subclass of: hydroxybutyric acid
subclass of: 3-hydroxy monocarboxylic acid
subclass of: (omega-1)-hydroxy fatty acid
subclass of: Restriction
  on property: has functional parent
  some values from: butyric acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-hydroxybutyrate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: (1)-3-Hydroxybutyric acid
has_related_synonym: 104.10452
has_related_synonym: 3 HBA
has_related_synonym: 3-Hydroxybuttersaeure
has_related_synonym: 3-OH-butyric acid
has_exact_synonym: 3-hydroxybutanoic acid
definition: A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.
has_related_synonym: BHBA
database_cross_reference: Beilstein:773861
has_related_synonym: C4H8O3
database_cross_reference: CAS:300-85-6
has_related_synonym: CC(O)CC(O)=O
id: CHEBI:20067
has_related_synonym: DL-beta-Hydroxybutyric acid
database_cross_reference: HMDB:HMDB00357
has_related_synonym: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
database_cross_reference: LIPID_MAPS_instance:LMFA01050005
database_cross_reference: PMID:10855969
database_cross_reference: PMID:17190852
database_cross_reference: PMID:17579249
database_cross_reference: PMID:6061736
database_cross_reference: Reaxys:773861
has_related_synonym: WHBMMWSBFZVSSR-UHFFFAOYSA-N
database_cross_reference: Wikipedia:3-hydroxybutyrate
has_related_synonym: beta-Hydroxy-n-butyric acid
has_related_synonym: beta-Hydroxybuttersaeure
has_related_synonym: beta-hydroxy-n-butyric acid
has_related_synonym: beta-hydroxybutanoic acid
has_related_synonym: beta-hydroxybutyric acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

6-aminopurines
type: Class
subclass of: aminopurine
has_exact_synonym: 6-aminopurines
definition: Any compound having 6-aminopurine (adenine) as part of its structure.
id: CHEBI:20706
database_cross_reference: PMID:1646334
database_cross_reference: PMID:18524423
database_cross_reference: PMID:7342604
has_obo_namespace: chebi_ontology
imported from: chebi.owl

C-glycosyl compound
type: Class
subclass of: glycosyl compound
definition: A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a carbon atom, thus creating a C-C bond.
has_related_synonym: C-glycoside
has_related_synonym: C-glycosides
has_related_synonym: C-glycosyl compounds
id: CHEBI:20857
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-galactoside
type: Class
subclass of: galactoside
id: CHEBI:20961
has_alternative_id: CHEBI:4143
has_exact_synonym: D-galactoside
has_related_synonym: D-galactosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

N-glycosyl compound
type: Class
subclass of: organonitrogen compound
subclass of: glycosyl compound
definition: A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond.
id: CHEBI:21731
has_related_synonym: N-glycoside
has_related_synonym: N-glycosides
has_related_synonym: N-glycosyl compounds
has_obo_namespace: chebi_ontology
has_exact_synonym: glycosylamine
has_related_synonym: glycosylamines
imported from: chebi.owl

acaricide
type: Class
subclass of: pesticide
definition: A substance used to destroy pests of the subclass Acari (mites and ticks).
has_related_synonym: Akarizid
has_related_synonym: Akarizide
id: CHEBI:22153
database_cross_reference: Wikipedia:Acaricide
has_related_synonym: acaricides
has_obo_namespace: chebi_ontology
has_related_synonym: miticide
imported from: chebi.owl

acetamides
type: Class
subclass of: carboxamide
id: CHEBI:22160
definition: Compounds with the general formula RNHC(=O)CH3.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aconitate(3-)
type: Class
subclass of: tricarboxylic acid trianion
subclass of: Restriction
  on property: is conjugate base of
  some values from: aconitic acid
has_related_synonym: 171.08442
definition: A tricarboxylic acid trianion that is the conjugate base of aconitic acid.
has_related_synonym: C6H3O6
id: CHEBI:22210
has_related_synonym: GTZCVFVGUGFEME-UHFFFAOYSA-K
database_cross_reference: Gmelin:364851
has_related_synonym: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
has_related_synonym: [O-]C(=O)CC(=CC([O-])=O)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: prop-1-ene-1,2,3-tricarboxylate
imported from: chebi.owl

aconitic acid
type: Class
subclass of: tricarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aconitate(3-)
has_related_synonym: 1-propene-1,2,3-tricarboxylic acid
has_related_synonym: 174.10824
has_related_synonym: 3-carboxy-2-pentenedioic acid
definition: A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.
database_cross_reference: Beilstein:1725828
has_related_synonym: C6H6O6
database_cross_reference: CAS:499-12-7
id: CHEBI:22211
has_related_synonym: GTZCVFVGUGFEME-UHFFFAOYSA-N
database_cross_reference: Gmelin:185280
has_related_synonym: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)
has_related_synonym: OC(=O)CC(=CC(O)=O)C(O)=O
database_cross_reference: PMID:24702026
database_cross_reference: PMID:24710945
database_cross_reference: PMID:25011271
database_cross_reference: Reaxys:1725828
database_cross_reference: Wikipedia:Aconitic_acid
has_related_synonym: achilleic acid
has_obo_namespace: chebi_ontology
has_related_synonym: citridic acid
has_related_synonym: equisetic acid
has_exact_synonym: prop-1-ene-1,2,3-tricarboxylic acid
imported from: chebi.owl

acyl group
type: Class
subclass of: organic group
definition: An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids.
id: CHEBI:22221
has_exact_synonym: acyl group
has_related_synonym: acyl groups
has_exact_synonym: alkanoyl
has_related_synonym: alkanoyl group
has_obo_namespace: chebi_ontology
has_related_synonym: groupe acyle
imported from: chebi.owl

adenosine bisphosphate
type: Class
subclass of: adenosine phosphate
subclass of: purine nucleoside bisphosphate
subclass of: ribonucleoside bisphosphate
id: CHEBI:22251
has_related_synonym: adenosine bisphosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

adenosine phosphate
type: Class
subclass of: adenosines
subclass of: adenyl ribonucleotide
id: CHEBI:22256
has_related_synonym: adenosine phosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

adenosines
type: Class
subclass of: purine ribonucleoside
subclass of: Restriction
  on property: has functional parent
  some values from: adenine
id: CHEBI:22260
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aldaric acid anion
type: Class
subclass of: carbohydrate acid anion
subclass of: dicarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: aldaric acid
id: CHEBI:22289
has_related_synonym: aldarate
has_related_synonym: aldarates
has_related_synonym: aldaric acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aldaric acid
type: Class
subclass of: carbohydrate acid
subclass of: dicarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aldaric acid anion
id: CHEBI:22290
definition: Dicarboxylic acids formed from aldoses by replacement of both terminal groups (CHO and CH2OH) by carboxy groups.
has_exact_synonym: aldaric acid
has_related_synonym: aldaric acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkaline earth metal atom
type: Class
subclass of: main group element atom
subclass of: metal atom
subclass of: s-block element atom
id: CHEBI:22313
has_related_synonym: Erdalkalimetall
has_related_synonym: Erdalkalimetalle
has_related_synonym: alkaline earth metal
has_exact_synonym: alkaline earth metals
has_related_synonym: alkaline-earth metal
has_related_synonym: alkaline-earth metals
has_obo_namespace: chebi_ontology
has_related_synonym: metal alcalino-terreux
has_related_synonym: metal alcalinoterreo
has_related_synonym: metales alcalinoterreos
has_related_synonym: metaux alcalino-terreux
imported from: chebi.owl

alkali metal atom
type: Class
subclass of: main group element atom
subclass of: metal atom
subclass of: s-block element atom
has_related_synonym: Alkalimetall
has_related_synonym: Alkalimetalle
id: CHEBI:22314
has_related_synonym: alkali metal
has_exact_synonym: alkali metals
has_obo_namespace: chebi_ontology
has_related_synonym: metal alcalin
has_related_synonym: metal alcalino
has_related_synonym: metales alcalinos
has_related_synonym: metaux alcalins
imported from: chebi.owl

alkaloid
type: Class
subclass of: organonitrogen compound
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: Alkaloid
has_related_synonym: Alkaloide
definition: Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids.
id: CHEBI:22315
database_cross_reference: Wikipedia:Alkaloid
has_related_synonym: alcaloide
has_related_synonym: alcaloides
has_exact_synonym: alkaloids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkyl group
type: Class
subclass of: hydrocarbyl group
subclass of: Restriction
  on property: is substituent group from
  some values from: alkane
definition: A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom.
id: CHEBI:22323
has_exact_synonym: alkyl group
has_exact_synonym: alkyl groups
has_obo_namespace: chebi_ontology
has_related_synonym: groupe alkyle
has_related_synonym: grupo alquilo
has_related_synonym: grupos alquilo
imported from: chebi.owl

alpha-terpineol
type: Class
subclass of: terpineol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-alpha-terpineol
has_related_synonym: 1-menthene-8-ol
has_related_synonym: 1-methyl-4-isopropyl-1-cyclohexen-8-ol
has_related_synonym: 1-methyl-4-isopropyl-1-cyclohexene-8-ol
has_related_synonym: 154.24932
has_related_synonym: 2-(4-methyl-3-cyclohexenyl)-2-propanol
has_exact_synonym: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
definition: A terpineol that is propan-2-ol substituted by a 4-methylcyclohex-3-en-1-yl group at position 2.
database_cross_reference: Beilstein:1906604
has_related_synonym: C10H18O
database_cross_reference: CAS:98-55-5
has_related_synonym: CC1=CCC(CC1)C(C)(C)O
id: CHEBI:22469
database_cross_reference: Gmelin:406992
database_cross_reference: HMDB:HMDB04043
has_related_synonym: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
database_cross_reference: KEGG:C16772
database_cross_reference: KNApSAcK:C00029674
database_cross_reference: PMID:16356517
database_cross_reference: Reaxys:1906604
database_cross_reference: UM-BBD_compID:c0669
has_related_synonym: WUOACPNHFRMFPN-UHFFFAOYSA-N
has_related_synonym: alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol
has_exact_synonym: alpha-terpineol
has_obo_namespace: chebi_ontology
has_exact_synonym: p-menth-1-en-8-ol
imported from: chebi.owl

aminopurine
type: Class
subclass of: purines
definition: Any purine having at least one amino substituent.
id: CHEBI:22527
has_related_synonym: aminopurines
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anion
type: Class
subclass of: ion
definition: A monoatomic or polyatomic species having one or more elementary charges of the electron.
has_exact_synonym: Anion
has_related_synonym: Anionen
id: CHEBI:22563
has_exact_synonym: anion
has_related_synonym: aniones
has_related_synonym: anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anthraquinone
type: Class
subclass of: anthracenes
subclass of: acenoquinone
id: CHEBI:22580
has_related_synonym: anthracenequinones
has_related_synonym: anthraquinones
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antifeedant
type: Class
subclass of: pesticide
definition: A substance that prevents pests from feeding.
id: CHEBI:22583
has_related_synonym: antifeedants
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antioxidant
type: Class
subclass of: chemical role
definition: A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
id: CHEBI:22586
has_related_synonym: antioxidants
has_related_synonym: antioxydant
has_related_synonym: antoxidant
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antiviral agent
type: Class
subclass of: antimicrobial agent
definition: A substance that destroys or inhibits replication of viruses.
id: CHEBI:22587
has_related_synonym: anti-viral agent
has_related_synonym: anti-viral agents
has_related_synonym: antiviral
has_related_synonym: antiviral agents
has_related_synonym: antivirals
has_obo_namespace: chebi_ontology
imported from: chebi.owl

arabinose
type: Class
subclass of: aldopentose
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 150.12990
has_related_synonym: Ara
has_related_synonym: C5H10O5
database_cross_reference: CAS:147-81-9
id: CHEBI:22599
has_alternative_id: CHEBI:33943
database_cross_reference: HMDB:HMDB29942
database_cross_reference: Wikipedia:Arabinose
has_exact_synonym: arabino-pentose
has_exact_synonym: arabinose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

arabinoside
type: Class
subclass of: pentoside
id: CHEBI:22601
has_exact_synonym: arabinoside
has_related_synonym: arabinosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

arenecarboxamide
type: Class
subclass of: monocarboxylic acid amide
subclass of: aromatic amide
definition: A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system.
id: CHEBI:22645
has_related_synonym: arenecarboxamides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aspartate family amino acid
type: Class
subclass of: L-alpha-amino acid
subclass of: proteinogenic amino acid
definition: An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class.
id: CHEBI:22658
database_cross_reference: PMID:4386082
database_cross_reference: PMID:4394351
database_cross_reference: PMID:4721772
database_cross_reference: PMID:5016260
database_cross_reference: PMID:5074276
has_related_synonym: aspartate family amino acids
has_related_synonym: aspartic acid family amino acid
has_related_synonym: aspartic acid family amino acids
has_obo_namespace: chebi_ontology
has_related_synonym: oxaloacetate family amino acid
has_related_synonym: oxaloacetate family amino acids
has_related_synonym: oxaloacetate/aspartate family amino acid
has_related_synonym: oxaloacetate/aspartate family amino acids
imported from: chebi.owl

aspartic acid
type: Class
subclass of: alpha-amino acid
subclass of: C4-dicarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aspartate(1-)
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has part
  some values from: carboxymethyl group
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aspartate
has_related_synonym: (+-)-Aspartic acid
has_related_synonym: (R,S)-Aspartic acid
has_related_synonym: 133.10272
has_related_synonym: 2-aminobutanedioic acid
definition: An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent
has_related_synonym: Asp
has_exact_synonym: Aspartic acid
database_cross_reference: Beilstein:774618
has_related_synonym: C4H7NO4
database_cross_reference: CAS:617-45-8
id: CHEBI:22660
has_related_synonym: CKLJMWTZIZZHCS-UHFFFAOYSA-N
has_related_synonym: D
has_related_synonym: DL-Aminosuccinic acid
has_related_synonym: DL-Asparagic acid
database_cross_reference: Gmelin:185140
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
database_cross_reference: KEGG:C16433
has_related_synonym: NC(CC(O)=O)C(O)=O
database_cross_reference: PMID:22264337
database_cross_reference: Reaxys:774618
database_cross_reference: Wikipedia:Aspartic_acid
has_exact_synonym: aspartic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

auxin
type: Class
subclass of: plant hormone
definition: Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").
id: CHEBI:22676
database_cross_reference: Wikipedia:Auxin
has_related_synonym: auxins
has_obo_namespace: chebi_ontology
imported from: chebi.owl

base
type: Class
subclass of: chemical role
definition: A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base).
has_exact_synonym: Base
has_related_synonym: Base1
has_related_synonym: Base2
has_related_synonym: Basen
id: CHEBI:22695
database_cross_reference: KEGG:C00701
has_related_synonym: Nucleobase
has_exact_synonym: base
has_related_synonym: bases
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzaldehydes
type: Class
subclass of: arenecarbaldehyde
definition: Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof.
id: CHEBI:22698
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzamides
type: Class
subclass of: arenecarboxamide
id: CHEBI:22702
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzenes
type: Class
subclass of: benzenoid aromatic compound
definition: Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
id: CHEBI:22712
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzoates
type: Class
subclass of: monocarboxylic acid anion
definition: A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid.
id: CHEBI:22718
has_related_synonym: benzoate anion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzoic acids
type: Class
subclass of: benzenes
subclass of: aromatic carboxylic acid
definition: Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
id: CHEBI:22723
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzopyran
type: Class
subclass of: oxacycle
subclass of: organic heteropolycyclic compound
id: CHEBI:22727
database_cross_reference: Wikipedia:Benzopyran
has_related_synonym: benzopyrans
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzopyrrole
type: Class
subclass of: organic heterobicyclic compound
subclass of: organonitrogen heterocyclic compound
subclass of: polycyclic heteroarene
id: CHEBI:22728
has_related_synonym: benzopyrroles
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzyl alcohols
type: Class
subclass of: aromatic alcohol
id: CHEBI:22743
definition: Compounds containing a phenylmethanol skeleton.
has_related_synonym: benzylic alcohol
has_related_synonym: benzylic alcohols
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzyl group
type: Class
subclass of: benzylic group
subclass of: proteinogenic amino-acid side-chain group
subclass of: Restriction
  on property: is substituent group from
  some values from: toluene
has_related_synonym: 91.13048
has_related_synonym: Bn
has_related_synonym: C6H5-CH2-
has_related_synonym: C7H7
id: CHEBI:22744
has_exact_synonym: benzyl
has_obo_namespace: chebi_ontology
has_related_synonym: phenylalanine side-chain
has_related_synonym: phenylmethyl
imported from: chebi.owl

benzylisoquinoline alkaloid
type: Class
subclass of: isoquinoline alkaloid
definition: Any isoquinoline alkaloid based on a benzylisoquinoline skeleton.
id: CHEBI:22750
has_related_synonym: benzylisoquinoline alkaloids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-D-glucoside
type: Class
subclass of: D-glucoside
subclass of: beta-glucoside
subclass of: Restriction
  on property: has functional parent
  some values from: beta-D-glucose
has_alternative_id: CHEBI:10400
id: CHEBI:22798
has_exact_synonym: beta-D-glucoside
has_related_synonym: beta-D-glucosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

amino-acid betaine
type: Class
subclass of: ammonium betaine
definition: Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries three methyl substituents.
id: CHEBI:22860
has_related_synonym: amino acid betaines
has_related_synonym: amino-acid betaines
has_related_synonym: betaines
has_obo_namespace: chebi_ontology
imported from: chebi.owl

bornane monoterpenoid
type: Class
subclass of: monoterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: bornane
id: CHEBI:22912
has_related_synonym: bornane monoterpenoids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

boron molecular entity
type: Class
subclass of: boron group molecular entity
subclass of: Restriction
  on property: has part
  some values from: boron atom
id: CHEBI:22916
has_related_synonym: boron compounds
has_related_synonym: boron molecular entities
has_exact_synonym: boron molecular entity
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phytogenic insecticide
type: Class
subclass of: insecticide
definition: An insecticide compound naturally occurring in plants.
id: CHEBI:22917
has_related_synonym: botanical insecticide
has_related_synonym: botanical insecticides
has_obo_namespace: chebi_ontology
has_related_synonym: phytogenic insecticides
imported from: chebi.owl

branched-chain amino acid
type: Class
subclass of: amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: branched-chain amino-acid anion
definition: Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents
id: CHEBI:22918
has_related_synonym: branched chain amino acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

butan-4-olide
type: Class
subclass of: gamma-lactone
subclass of: tetrahydrofuranone
definition: Any gamma-lactone having the lactone moiety derived from 4-hydroxybutanoic acid.
id: CHEBI:22950
has_related_synonym: butan-4-olides
has_related_synonym: butanolide
has_obo_namespace: chebi_ontology
imported from: chebi.owl

butenedioic acid
type: Class
subclass of: C4-dicarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hydrogen butenedioate
has_related_synonym: 116.07216
has_related_synonym: 2-butenedioic acid
definition: A C4-dicarboxylic acid that has formula C4H4O4.
database_cross_reference: Beilstein:8132074
has_related_synonym: C4H4O4
id: CHEBI:22958
has_related_synonym: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
has_related_synonym: VZCYOOQTPOCHFL-UHFFFAOYSA-N
has_related_synonym: [H]C(=C([H])C(O)=O)C(O)=O
has_exact_synonym: but-2-enedioic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cadinene
type: Class
subclass of: sesquiterpene
subclass of: carbobicyclic compound
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has parent hydride
  some values from: cadinane
definition: Any sesquiterpene having a cadinane skeleton containing one or more C=C bonds.
id: CHEBI:22976
database_cross_reference: Wikipedia:Cadinene
has_related_synonym: cadinenes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

calcium atom
type: Class
subclass of: alkaline earth metal atom
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 20Ca
has_related_synonym: 40.07800
definition: An alkaline earth metal atom that has formula Ca.
database_cross_reference: CAS:7440-70-2
id: CHEBI:22984
has_related_synonym: Ca
has_related_synonym: Calcium
database_cross_reference: DrugBank:DB01373
has_related_synonym: InChI=1S/Ca
database_cross_reference: KEGG:C00076
has_related_synonym: Kalzium
has_related_synonym: OYPRJOBELJOOCE-UHFFFAOYSA-N
database_cross_reference: WebElements:Ca
has_related_synonym: [Ca]
has_related_synonym: calcio
has_exact_synonym: calcium
has_related_synonym: calcium
has_obo_namespace: chebi_ontology
imported from: chebi.owl

calcium molecular entity
type: Class
subclass of: alkaline earth molecular entity
subclass of: Restriction
  on property: has part
  some values from: calcium atom
id: CHEBI:22985
has_related_synonym: calcium compounds
has_related_synonym: calcium molecular entities
has_exact_synonym: calcium molecular entity
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbamoyl group
type: Class
subclass of: univalent carboacyl group
subclass of: Restriction
  on property: is substituent group from
  some values from: carbamic acid
has_related_synonym: -C(O)NH2
has_related_synonym: -CONH2
has_related_synonym: 44.03272
has_related_synonym: CH2NO
id: CHEBI:23004
database_cross_reference: PMID:24168430
definition: The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.
has_related_synonym: aminocarbonyl
has_exact_synonym: carbamoyl
has_related_synonym: carbamyl
has_related_synonym: carbamyl group
has_related_synonym: carboxamide
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbonates
type: Class
subclass of: organooxygen compound
subclass of: Restriction
  on property: has functional parent
  some values from: carbonic acid
id: CHEBI:23016
definition: Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbonyl group
type: Class
subclass of: organodiyl group
has_related_synonym: 28.01010
has_related_synonym: >C=O
id: CHEBI:23019
has_related_synonym: CO
has_exact_synonym: carbonyl
has_exact_synonym: carbonyl group
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carotene
type: Class
subclass of: tetraterpene
id: CHEBI:23042
definition: Hydrocarbon carotenoids.
has_exact_synonym: carotene
has_related_synonym: carotenes
has_exact_synonym: carotenes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carotenoid
type: Class
subclass of: tetraterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: carotene
database_cross_reference: CAS:36-88-4
id: CHEBI:23044
definition: One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded.
has_related_synonym: a carotenoid
has_related_synonym: carotenes and carotenoids
has_exact_synonym: carotenoid
has_related_synonym: carotenoids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carotenol
type: Class
subclass of: xanthophyll
id: CHEBI:23045
has_related_synonym: carotenols
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxycarotenoids
imported from: chebi.owl

catechin
type: Class
subclass of: hydroxyflavan
has_related_synonym: (+/-)-Catechin
id: CHEBI:23053
database_cross_reference: KEGG:C17590
database_cross_reference: LINCS:LSM-1682
definition: Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.
has_exact_synonym: catechin
has_related_synonym: catechins
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cholines
type: Class
subclass of: quaternary ammonium ion
definition: A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof.
id: CHEBI:23217
has_obo_namespace: chebi_ontology
imported from: chebi.owl

chromenes
type: Class
subclass of: 1-benzopyran
id: CHEBI:23232
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cineole
type: Class
subclass of: p-menthane monoterpenoid
subclass of: cyclic ether
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
id: CHEBI:23243
has_obo_namespace: chebi_ontology
has_related_synonym: cineoles
imported from: chebi.owl

cinnamate
type: Class
subclass of: phenylpropanoid
subclass of: cinnamates
subclass of: Restriction
  on property: is conjugate base of
  some values from: cinnamic acid
has_related_synonym: 147.15068
has_related_synonym: 3-phenyl-2-propenoate
has_related_synonym: 3-phenyl-2-propenoic acid, ion(1-)
has_related_synonym: 3-phenylacrylate
has_exact_synonym: 3-phenylprop-2-enoate
definition: A member of the class of cinnamates that results from the deprotonation of the carboxy group of cinnamic acid.
database_cross_reference: Beilstein:3904519
has_related_synonym: C9H7O2
database_cross_reference: CAS:4151-45-5
id: CHEBI:23248
database_cross_reference: Gmelin:328657
has_related_synonym: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/p-1
has_related_synonym: WBYWAXJHAXSJNI-UHFFFAOYSA-M
has_related_synonym: [H]C(=Cc1ccccc1)C([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: cinnamic acid, ion(1-)
imported from: chebi.owl

cinnamic acids
type: Class
subclass of: olefinic compound
subclass of: alpha,beta-unsaturated monocarboxylic acid
definition: Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives.
id: CHEBI:23252
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cis-3-hexenal
type: Class
subclass of: 3-hexenal
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (3Z)-Hexenal
has_exact_synonym: (3Z)-hex-3-enal
has_related_synonym: 98.14300
database_cross_reference: AGR:IND20511481
database_cross_reference: AGR:IND44685237
database_cross_reference: AGR:IND44686640
has_related_synonym: C6H10O
database_cross_reference: CAS:6789-80-6
has_related_synonym: CC\C=C/CC=O
id: CHEBI:23292
has_related_synonym: GXANMBISFKBPEX-ARJAWSKDSA-N
database_cross_reference: HMDB:HMDB31498
has_related_synonym: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
database_cross_reference: KEGG:C16310
database_cross_reference: KNApSAcK:C00000353
database_cross_reference: LIPID_MAPS_instance:LMFA06000110
database_cross_reference: PMID:14732275
database_cross_reference: Patent:US4241098
database_cross_reference: Reaxys:1720171
definition: The cis-isomer of 3-hexenal.
database_cross_reference: Wikipedia:Cis-3-Hexenal
has_obo_namespace: chebi_ontology
imported from: chebi.owl

coenzyme
type: Class
subclass of: cofactor
definition: A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
id: CHEBI:23354
has_obo_namespace: chebi_ontology
has_exact_synonym: coenzyme
has_related_synonym: coenzymes
imported from: chebi.owl

cofactor
type: Class
subclass of: biochemical role
definition: An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
id: CHEBI:23357
database_cross_reference: Wikipedia:Cofactor_(biochemistry)
has_obo_namespace: chebi_ontology
has_exact_synonym: cofactor
has_exact_synonym: cofactors
imported from: chebi.owl

compatible osmolytes
type: Class
subclass of: osmolyte
id: CHEBI:23366
has_obo_namespace: chebi_ontology
has_exact_synonym: compatible osmolytes
imported from: chebi.owl

molecular entity
type: Class
subclass of: chemical entity
definition: Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
id: CHEBI:23367
has_obo_namespace: chebi_ontology
has_related_synonym: entidad molecular
has_related_synonym: entidades moleculares
has_related_synonym: entite moleculaire
has_related_synonym: molecular entities
has_exact_synonym: molecular entity
has_related_synonym: molekulare Entitaet
imported from: chebi.owl

copper molecular entity
type: Class
subclass of: copper group molecular entity
subclass of: Restriction
  on property: has part
  some values from: copper atom
id: CHEBI:23377
has_obo_namespace: chebi_ontology
has_related_synonym: copper compounds
has_related_synonym: copper molecular entities
has_exact_synonym: copper molecular entity
imported from: chebi.owl

copper cation
type: Class
subclass of: transition element cation
subclass of: elemental copper
id: CHEBI:23378
has_related_synonym: Cu
has_related_synonym: Cu cation
has_obo_namespace: chebi_ontology
has_exact_synonym: copper cation
has_related_synonym: copper cations
imported from: chebi.owl

coumarins
type: Class
subclass of: phenylpropanoid
subclass of: chromenone
id: CHEBI:23403
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclic amide
type: Class
subclass of: amide
id: CHEBI:23443
has_alternative_id: CHEBI:3990
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic amide
has_related_synonym: cyclic amides
imported from: chebi.owl

cyclic monoterpene ketone
type: Class
subclass of: monoterpene ketone
subclass of: cyclic terpene ketone
definition: A cyclic terpene ketone in which the terpene specified is monoterpene.
id: CHEBI:23446
has_obo_namespace: chebi_ontology
has_related_synonym: cyclic monoterpene ketones
imported from: chebi.owl

cyclitol
type: Class
subclass of: polyol
definition: A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom.
id: CHEBI:23451
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclitols
imported from: chebi.owl

cycloalkane
type: Class
subclass of: alicyclic compound
subclass of: monocyclic hydrocarbon
id: CHEBI:23453
definition: Saturated monocyclic hydrocarbons (with or without side chains).
has_related_synonym: Zyklan
has_related_synonym: Zykloalkan
has_related_synonym: Zykloparaffin
has_obo_namespace: chebi_ontology
has_related_synonym: cyclane
has_exact_synonym: cycloalkane
has_exact_synonym: cycloalkanes
has_related_synonym: cycloalkanes
has_related_synonym: cycloparaffin
imported from: chebi.owl

cyclohexenecarboxylic acid
type: Class
subclass of: monocarboxylic acid
id: CHEBI:23483
has_obo_namespace: chebi_ontology
has_related_synonym: cyclohexenecarboxylic acids
imported from: chebi.owl

cysteine derivative
type: Class
subclass of: amino acid derivative
subclass of: Restriction
  on property: has functional parent
  some values from: cysteine
definition: An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues.
id: CHEBI:23509
has_obo_namespace: chebi_ontology
has_exact_synonym: cysteine derivative
imported from: chebi.owl

deoxyhexose
type: Class
subclass of: deoxy sugar
subclass of: aldohexose
definition: Any C6 deoxy sugar having at least one hydroxy group replaced by hydrogen.
id: CHEBI:23628
has_obo_namespace: chebi_ontology
has_exact_synonym: deoxyhexose
has_related_synonym: deoxyhexoses
imported from: chebi.owl

deoxy sugar
type: Class
subclass of: carbohydrate
definition: Any sugar having a hydroxy group replaced with a hydrogen atom.
id: CHEBI:23639
has_obo_namespace: chebi_ontology
has_related_synonym: deoxy sugars
has_related_synonym: deoxysugar
has_related_synonym: deoxysugars
imported from: chebi.owl

diazole
type: Class
subclass of: azole
definition: An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring.
id: CHEBI:23677
has_obo_namespace: chebi_ontology
has_related_synonym: diazoles
imported from: chebi.owl

dihydroxybenzoic acid
type: Class
subclass of: hydroxybenzoic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: dihydroxybenzoate
definition: Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.
id: CHEBI:23778
has_obo_namespace: chebi_ontology
has_related_synonym: dihydroxybenzoic acids
imported from: chebi.owl

diol
type: Class
subclass of: polyol
definition: A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols.
id: CHEBI:23824
database_cross_reference: Wikipedia:Diol
has_obo_namespace: chebi_ontology
has_exact_synonym: diols
imported from: chebi.owl

diterpene alkaloid
type: Class
subclass of: diterpenoid
subclass of: terpene alkaloid
id: CHEBI:23847
has_obo_namespace: chebi_ontology
has_related_synonym: diterpene alkaloids
imported from: chebi.owl

diterpenoid
type: Class
subclass of: terpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: diterpene
definition: Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
has_related_synonym: C20 isoprenoids
id: CHEBI:23849
database_cross_reference: LIPID_MAPS_class:LMPR0104
has_obo_namespace: chebi_ontology
has_related_synonym: diterpenoides
has_exact_synonym: diterpenoids
imported from: chebi.owl

behenate
type: Class
subclass of: long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 22:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: behenic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 339.57560
definition: A straight-chain saturated fatty acid anion that is the conjugate base of behenic acid, arising from deprotonation of the carboxylic acid group.
has_related_synonym: C22H43O2
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]20-COO(-)
id: CHEBI:23858
has_related_synonym: Docosanoate
database_cross_reference: Gmelin:351197
database_cross_reference: KEGG:C08281
has_related_synonym: UKMSUNONTOPOIO-UHFFFAOYSA-M
has_exact_synonym: behenate
has_obo_namespace: chebi_ontology
has_exact_synonym: docosanoate
has_related_synonym: docosanoate
imported from: chebi.owl

drug
type: Class
subclass of: pharmaceutical
definition: Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
id: CHEBI:23888
has_obo_namespace: chebi_ontology
has_related_synonym: drugs
has_related_synonym: medicine
imported from: chebi.owl

monoatomic cation
type: Class
subclass of: monoatomic ion
subclass of: cation
id: CHEBI:23906
has_obo_namespace: chebi_ontology
has_related_synonym: monoatomic cations
imported from: chebi.owl

enzyme inhibitor
type: Class
subclass of: inhibitor
subclass of: biochemical role
definition: A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
id: CHEBI:23924
has_obo_namespace: chebi_ontology
has_exact_synonym: enzyme inhibitor
has_related_synonym: enzyme inhibitors
has_related_synonym: inhibidor enzimatico
has_related_synonym: inhibidores enzimaticos
has_related_synonym: inhibiteur enzymatique
has_related_synonym: inhibiteurs enzymatiques
imported from: chebi.owl

ethanols
type: Class
subclass of: primary alcohol
definition: Any primary alcohol based on an ethanol skeleton.
id: CHEBI:23982
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ethyl ester
type: Class
subclass of: carboxylic ester
subclass of: Restriction
  on property: has functional parent
  some values from: ethanol
subclass of: Restriction
  on property: has functional parent
  some values from: carboxylic acid
has_related_synonym: 73.07060
definition: Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol.
has_related_synonym: C3H5O2R
has_related_synonym: CCOC([*])=O
id: CHEBI:23990
has_alternative_id: CHEBI:85056
has_related_synonym: carboxylic acid ethyl ester
has_related_synonym: carboxylic acid ethyl esters
has_obo_namespace: chebi_ontology
has_related_synonym: ethyl carboxylate
has_related_synonym: ethyl carboxylates
has_related_synonym: ethyl esters
imported from: chebi.owl

fat-soluble vitamin
type: Class
subclass of: vitamin
id: CHEBI:24020
definition: Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
has_obo_namespace: chebi_ontology
has_related_synonym: fat-soluble vitamins
has_related_synonym: fettloesliche Vitamine
imported from: chebi.owl

fatty alcohol
type: Class
subclass of: lipid
subclass of: alcohol
definition: An aliphatic alcohol consisting of a chain of 8 to 22 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched.
id: CHEBI:24026
has_related_synonym: Fettalkohol
has_related_synonym: Fettalkohole
database_cross_reference: LIPID_MAPS_class:LMFA05
has_related_synonym: alcool gras
has_obo_namespace: chebi_ontology
has_exact_synonym: fatty alcohol
has_related_synonym: fatty alcohols
imported from: chebi.owl

ferulic acids
type: Class
subclass of: monohydroxycinnamic acid
subclass of: phenols
subclass of: aromatic ether
id: CHEBI:24031
has_obo_namespace: chebi_ontology
imported from: chebi.owl

flavones
type: Class
subclass of: flavonoid
has_related_synonym: 2-aryl-1-benzopyran-4-one
has_related_synonym: 2-aryl-1-benzopyran-4-ones
has_related_synonym: 2-arylchromen-4-one
has_related_synonym: 2-arylchromen-4-ones
definition: A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives.
id: CHEBI:24043
database_cross_reference: MetaCyc:Flavones
database_cross_reference: Wikipedia:Flavone
has_related_synonym: a flavone
has_obo_namespace: chebi_ontology
imported from: chebi.owl

furanocoumarin
type: Class
subclass of: furochromene
definition: Any furochromene that consists of a furan ring fused with a coumarin. The fusion may occur in different ways in give several isomers.
id: CHEBI:24128
database_cross_reference: Wikipedia:Furocoumarin
has_obo_namespace: chebi_ontology
has_related_synonym: furanocoumarins
imported from: chebi.owl

furans
type: Class
subclass of: organic heteromonocyclic compound
subclass of: oxacycle
id: CHEBI:24129
definition: Compounds containing at least one furan ring.
has_obo_namespace: chebi_ontology
has_related_synonym: oxacyclopenta-2,4-dienes
imported from: chebi.owl

galactoside
type: Class
subclass of: hexoside
id: CHEBI:24163
has_obo_namespace: chebi_ontology
has_exact_synonym: galactoside
has_related_synonym: galactosides
imported from: chebi.owl

galacturonan
type: Class
subclass of: polysaccharide
id: CHEBI:24174
has_alternative_id: CHEBI:5260
has_obo_namespace: chebi_ontology
has_related_synonym: galacturonans
imported from: chebi.owl

3,7-dimethylocta-2,6-dien-1-ol
type: Class
subclass of: monoterpenoid
subclass of: octadienol
subclass of: polyprenol
has_related_synonym: 154.24932
has_related_synonym: 3,7-dimethyl-2,6-octadien-1-ol
has_exact_synonym: 3,7-dimethylocta-2,6-dien-1-ol
definition: An octadienol that has formula C10H18O.
database_cross_reference: Beilstein:8132082
has_related_synonym: C10H18O
id: CHEBI:24221
has_related_synonym: GLZPCOQZEFWAFX-UHFFFAOYSA-N
database_cross_reference: Gmelin:2352439
has_related_synonym: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3
database_cross_reference: LINCS:LSM-36962
has_related_synonym: [H]C(CO)=C(C)CCC=C(C)C
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glucoside
type: Class
subclass of: hexoside
id: CHEBI:24278
has_obo_namespace: chebi_ontology
has_related_synonym: glucosides
imported from: chebi.owl

aconitine
type: Class
subclass of: diterpenoid
subclass of: Restriction
  on property: has functional parent
  some values from: aconitane
has_related_synonym: 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate
has_exact_synonym: 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate
has_related_synonym: 645.73712
definition: A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively.
has_exact_synonym: Aconitine
has_related_synonym: C34H47NO11
database_cross_reference: CAS:302-27-2
id: CHEBI:2430
has_related_synonym: InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
database_cross_reference: KEGG:C06091
database_cross_reference: KNApSAcK:C00001611
database_cross_reference: PMID:12951473
database_cross_reference: PMID:14979521
database_cross_reference: PMID:16293382
database_cross_reference: PMID:16315485
database_cross_reference: PMID:16949890
database_cross_reference: PMID:17276394
database_cross_reference: PMID:17327465
database_cross_reference: PMID:18329015
database_cross_reference: PMID:18448863
database_cross_reference: PMID:19967988
database_cross_reference: PMID:20717872
database_cross_reference: PMID:20886302
database_cross_reference: PMID:20937638
database_cross_reference: PMID:20953393
database_cross_reference: PMID:21277363
database_cross_reference: PMID:21377951
database_cross_reference: PMID:21505405
database_cross_reference: PMID:21512442
database_cross_reference: PMID:21782880
database_cross_reference: PMID:9459571
database_cross_reference: Reaxys:74608
has_related_synonym: XFSBVAOIAHNAPC-XTHSEXKGSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glucosiduronic acid
type: Class
subclass of: glycosiduronic acid
subclass of: carbohydrate acid derivative
definition: Any substance produced by linking glucuronic acid to another substance via a glycosidic bond.
id: CHEBI:24302
has_obo_namespace: chebi_ontology
has_related_synonym: glucosiduronic acids
has_related_synonym: glucuronide
imported from: chebi.owl

glutarate
type: Class
subclass of: dicarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: glutaric acid
definition: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of glutaric acid.
id: CHEBI:24329
has_obo_namespace: chebi_ontology
has_related_synonym: glutarate anion
has_related_synonym: glutarates
has_related_synonym: glutaric acid anion
imported from: chebi.owl

glycine derivative
type: Class
subclass of: proteinogenic amino acid derivative
subclass of: Restriction
  on property: has functional parent
  some values from: glycine
definition: A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
id: CHEBI:24373
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glycoglycerolipid
type: Class
subclass of: glycolipid
id: CHEBI:24385
has_obo_namespace: chebi_ontology
has_related_synonym: glycoglycerolipids
imported from: chebi.owl

glycophospholipid
type: Class
subclass of: phospholipid
subclass of: glycolipid
definition: Any phospholipid that contain both phosphate and carbohydrate as integral structural components.
id: CHEBI:24397
has_obo_namespace: chebi_ontology
has_exact_synonym: glycophospholipid
has_related_synonym: glycophospholipids
has_related_synonym: phosphoglycolipids
imported from: chebi.owl

glycoside
type: Class
subclass of: glycosyl compound
definition: A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively.
id: CHEBI:24400
has_related_synonym: O-glycoside
has_related_synonym: O-glycosides
has_obo_namespace: chebi_ontology
has_related_synonym: glycosides
has_exact_synonym: glycosides
imported from: chebi.owl

glycosylglucose
type: Class
subclass of: disaccharide
id: CHEBI:24405
has_obo_namespace: chebi_ontology
has_related_synonym: glycosylglucoses
imported from: chebi.owl

chemical entity
type: Class
subclass of: material entity
definition: A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.
id: CHEBI:24431
has_obo_namespace: chebi_ontology
has_exact_synonym: chemical entity
imported from: chebi.owl

biological role
type: Class
subclass of: role
definition: A role played by the molecular entity or part thereof within a biological context.
id: CHEBI:24432
has_related_synonym: biological function
has_obo_namespace: chebi_ontology
imported from: chebi.owl

group
type: Class
subclass of: chemical entity
subclass of: Restriction
  on property: has part
  some values from: atom
definition: A defined linked collection of atoms or a single atom within a molecular entity.
id: CHEBI:24433
has_related_synonym: Gruppe
has_related_synonym: Rest
has_obo_namespace: chebi_ontology
has_exact_synonym: group
has_related_synonym: groupe
has_related_synonym: grupo
has_related_synonym: grupos
imported from: chebi.owl

guanidines
type: Class
subclass of: organonitrogen compound
definition: Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas.
id: CHEBI:24436
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Acutumidine
type: Class
subclass of: alkaloid
has_related_synonym: 383.824
has_exact_synonym: Acutumidine
definition: An alkaloid that has formula C18H22ClNO6.
has_related_synonym: C18H22ClNO6
database_cross_reference: CAS:18145-26-1
id: CHEBI:2452
has_related_synonym: InChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14+,16+,17+,18+/m0/s1
database_cross_reference: KEGG:C10565
database_cross_reference: KNApSAcK:C00002310
has_related_synonym: SBALNGLYQFMKPR-NQTWQHAWSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic heterocyclic compound
type: Class
subclass of: heteroorganic entity
subclass of: organic cyclic compound
subclass of: heterocyclic compound
definition: A cyclic compound having as ring members atoms of carbon and at least of one other element.
id: CHEBI:24532
has_obo_namespace: chebi_ontology
has_related_synonym: organic heterocycle
has_related_synonym: organic heterocyclic compounds
imported from: chebi.owl

hexadecenoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: monounsaturated fatty acid
subclass of: olefinic fatty acid
subclass of: straight-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hexadecenoate
has_related_synonym: 16:1
definition: A C16 straight-chain monounsaturated fatty acid having one C=C double bond.
has_related_synonym: C16:1
has_related_synonym: C16H30O2
id: CHEBI:24548
has_related_synonym: FA 16:1
has_related_synonym: Hexadecensaeure
has_related_synonym: Hexadecensaeuren
database_cross_reference: PMID:17439666
has_related_synonym: acide hexadecenoique
has_related_synonym: acides hexadecenoiques
has_related_synonym: acido hexadecenoico
has_related_synonym: acidos hexadecenoicos
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadecenoic acid
has_related_synonym: hexadecenoic acid 16:1
imported from: chebi.owl

hexenal
type: Class
subclass of: monounsaturated fatty acid aldehyde
definition: A monounsaturated fatty acid aldehyde that is hexene having an oxo group at position 1.
id: CHEBI:24578
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hormone
type: Class
subclass of: molecular messenger
subclass of: agonist
id: CHEBI:24621
definition: Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
has_obo_namespace: chebi_ontology
has_related_synonym: endocrine
has_related_synonym: hormones
imported from: chebi.owl

hydrocarbon
type: Class
subclass of: organic fundamental parent
definition: A compound consisting of carbon and hydrogen only.
id: CHEBI:24632
has_related_synonym: Kohlenwasserstoff
has_related_synonym: Kohlenwasserstoffe
has_obo_namespace: chebi_ontology
has_related_synonym: hidrocarburo
has_related_synonym: hidrocarburos
has_exact_synonym: hydrocarbon
has_exact_synonym: hydrocarbons
has_related_synonym: hydrocarbure
imported from: chebi.owl

hydroxides
type: Class
subclass of: oxygen molecular entity
subclass of: hydrogen molecular entity
subclass of: heteroatomic molecular entity
subclass of: Restriction
  on property: has part
  some values from: hydroxy group
id: CHEBI:24651
definition: Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)).
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hydroxy fatty acid
type: Class
subclass of: fatty acid
subclass of: hydroxy monocarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hydroxy fatty acid anion
definition: Any fatty acid carrying one or more hydroxy substituents.
id: CHEBI:24654
database_cross_reference: LIPID_MAPS_class:LMFA0105
database_cross_reference: PMID:18296335
database_cross_reference: PMID:6419288
database_cross_reference: PMID:8274032
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy fatty acids
imported from: chebi.owl

hydroxy carboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: organic hydroxy compound
definition: Any carboxylic acid with at least one hydroxy group.
id: CHEBI:24669
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy carboxylic acids
has_related_synonym: hydroxycarboxylic acid
has_related_synonym: hydroxycarboxylic acids
imported from: chebi.owl

hydroxybenzoate
type: Class
subclass of: benzoates
subclass of: hydroxy monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: hydroxybenzoic acid
definition: Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.
id: CHEBI:24675
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxybenzoates
imported from: chebi.owl

hydroxybenzoic acid
type: Class
subclass of: benzoic acids
subclass of: phenols
subclass of: Restriction
  on property: has functional parent
  some values from: benzoic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hydroxybenzoate
definition: Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring.
has_related_synonym: C7H6O3
id: CHEBI:24676
has_alternative_id: CHEBI:50778
has_obo_namespace: chebi_ontology
has_exact_synonym: hydroxybenzoic acid
has_related_synonym: hydroxybenzoic acids
imported from: chebi.owl

hydroxybutyric acid
type: Class
subclass of: hydroxy fatty acid
subclass of: Restriction
  on property: has functional parent
  some values from: butyric acid
definition: Any compound comprising a butyric acid core carrying at least one hydroxy substituent.
has_related_synonym: C4H8O3
id: CHEBI:24684
has_obo_namespace: chebi_ontology
has_exact_synonym: hydroxybutanoic acid
has_related_synonym: hydroxybutanoic acids
has_related_synonym: hydroxybutyric acids
imported from: chebi.owl

monohydroxycinnamic acid
type: Class
subclass of: hydroxycinnamic acid
id: CHEBI:24688
has_obo_namespace: chebi_ontology
has_related_synonym: monohydroxycinnamic acids
imported from: chebi.owl

hydroxycinnamic acid
type: Class
subclass of: cinnamic acids
definition: Any member of the class of cinnamic acids carrying one or more hydroxy substituents.
id: CHEBI:24689
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxycinnamic acids
imported from: chebi.owl

hydroxyflavanone
type: Class
subclass of: flavanones
subclass of: organic hydroxy compound
definition: A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents.
id: CHEBI:24697
has_obo_namespace: chebi_ontology
has_exact_synonym: hydroxyflavanone
has_related_synonym: hydroxyflavanones
imported from: chebi.owl

hydroxyflavone
type: Class
subclass of: flavones
subclass of: organic hydroxy compound
definition: Any flavone in which one or more ring hydrogens are replaced by hydroxy groups.
id: CHEBI:24698
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxyflavones
imported from: chebi.owl

hydroxymethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
subclass of: Restriction
  on property: is substituent group from
  some values from: methanol
has_related_synonym: -CH3-OH
has_related_synonym: 31.03392
has_related_synonym: CH3O
id: CHEBI:24712
has_obo_namespace: chebi_ontology
has_exact_synonym: hydroxymethyl
has_related_synonym: serine side-chain
imported from: chebi.owl

imidazoles
type: Class
subclass of: diazole
definition: A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
id: CHEBI:24780
has_obo_namespace: chebi_ontology
imported from: chebi.owl

indoles
type: Class
subclass of: benzopyrrole
definition: Any compound containing an indole skeleton.
id: CHEBI:24828
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oxoacid
type: Class
subclass of: hydroxides
subclass of: Restriction
  on property: has role
  some values from: Bronsted acid
definition: A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).
id: CHEBI:24833
has_obo_namespace: chebi_ontology
has_related_synonym: oxacids
has_related_synonym: oxiacids
has_related_synonym: oxo acid
has_exact_synonym: oxoacid
has_exact_synonym: oxoacids
has_related_synonym: oxy-acids
has_related_synonym: oxyacids
imported from: chebi.owl

inorganic anion
type: Class
subclass of: anion
subclass of: inorganic ion
id: CHEBI:24834
has_obo_namespace: chebi_ontology
has_related_synonym: inorganic anions
imported from: chebi.owl

inorganic molecular entity
type: Class
subclass of: molecular entity
definition: A molecular entity that contains no carbon.
id: CHEBI:24835
has_related_synonym: anorganische Verbindungen
has_obo_namespace: chebi_ontology
has_related_synonym: inorganic compounds
has_related_synonym: inorganic entity
has_related_synonym: inorganic molecular entities
has_related_synonym: inorganics
imported from: chebi.owl

inositol
type: Class
subclass of: cyclitol
subclass of: hexol
has_related_synonym: 1,2,3,4,5,6-cyclohexanehexol
has_related_synonym: 180.15588
definition: Any cyclohexane-1,2,3,4,5,6-hexol.
has_related_synonym: C6H12O6
has_related_synonym: CDAISMWEOUEBRE-UHFFFAOYSA-N
id: CHEBI:24848
has_related_synonym: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
has_related_synonym: OC1C(O)C(O)C(O)C(O)C1O
has_obo_namespace: chebi_ontology
has_exact_synonym: inositol
has_related_synonym: inositols
has_exact_synonym: inositols
imported from: chebi.owl

insect attractant
type: Class
subclass of: biological role
subclass of: pesticide
definition: A chemical that lures insects to a trap, thereby removing them from crops, animals or stored products.
id: CHEBI:24850
database_cross_reference: PMID:7044287
has_obo_namespace: chebi_ontology
has_related_synonym: insect attractants
imported from: chebi.owl

insecticide
type: Class
subclass of: pesticide
id: CHEBI:24852
definition: Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
database_cross_reference: Wikipedia:Insecticide
has_obo_namespace: chebi_ontology
has_related_synonym: insecticides
imported from: chebi.owl

monoatomic ion
type: Class
subclass of: ion
subclass of: monoatomic entity
id: CHEBI:24867
has_obo_namespace: chebi_ontology
has_related_synonym: monoatomic ions
imported from: chebi.owl

ion
type: Class
subclass of: molecular entity
definition: A molecular entity having a net electric charge.
id: CHEBI:24870
has_exact_synonym: Ion
has_related_synonym: Ionen
has_obo_namespace: chebi_ontology
has_exact_synonym: ion
has_related_synonym: iones
has_related_synonym: ions
imported from: chebi.owl

iron molecular entity
type: Class
subclass of: iron group molecular entity
subclass of: Restriction
  on property: has part
  some values from: iron atom
id: CHEBI:24873
has_obo_namespace: chebi_ontology
has_related_synonym: iron compounds
has_related_synonym: iron molecular entities
has_exact_synonym: iron molecular entity
imported from: chebi.owl

iron cation
type: Class
subclass of: transition element cation
subclass of: elemental iron
id: CHEBI:24875
has_related_synonym: Fe
has_related_synonym: Fe cation
has_obo_namespace: chebi_ontology
has_exact_synonym: iron cation
has_related_synonym: iron cations
imported from: chebi.owl

isoleucine
type: Class
subclass of: 2-amino-3-methylpentanoic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: isoleucinate
subclass of: Restriction
  on property: has part
  some values from: sec-butyl group
subclass of: Restriction
  on property: is conjugate base of
  some values from: isoleucinium
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
definition: A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.
database_cross_reference: Beilstein:1721790
database_cross_reference: CAS:443-79-8
id: CHEBI:24898
has_related_synonym: Hile
database_cross_reference: PMID:17190852
database_cross_reference: Reaxys:1721790
has_obo_namespace: chebi_ontology
has_exact_synonym: isoleucine
has_related_synonym: rel-(2R,3R)-2-amino-3-methylpentanoic acid
imported from: chebi.owl

isoprenoid
type: Class
subclass of: lipid
definition: Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives.
id: CHEBI:24913
database_cross_reference: LIPID_MAPS_class:LMPR01
database_cross_reference: PMID:12769708
database_cross_reference: PMID:19219049
has_obo_namespace: chebi_ontology
has_exact_synonym: isoprenoid
has_related_synonym: isoprenoids
has_exact_synonym: isoprenoids
imported from: chebi.owl

isoquinoline alkaloid
type: Class
subclass of: alkaloid
definition: Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.
id: CHEBI:24921
has_obo_namespace: chebi_ontology
has_related_synonym: isoquinoline alkaloids
imported from: chebi.owl

isoquinolines
type: Class
subclass of: organonitrogen heterocyclic compound
subclass of: organic heteropolycyclic compound
definition: A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives.
id: CHEBI:24922
has_obo_namespace: chebi_ontology
imported from: chebi.owl

lactam
type: Class
subclass of: cyclic amide
subclass of: carboxamide
subclass of: organonitrogen heterocyclic compound
id: CHEBI:24995
definition: Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
has_related_synonym: Laktam
has_related_synonym: Laktame
has_obo_namespace: chebi_ontology
has_exact_synonym: lactam
has_exact_synonym: lactams
has_related_synonym: lactams
imported from: chebi.owl

lactate
type: Class
subclass of: hydroxy monocarboxylic acid anion
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: propionate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: rac-lactic acid
subclass of: Restriction
  on property: is conjugate base of
  some values from: 2-hydroxypropanoic acid
has_exact_synonym: 2-hydroxypropanoate
has_related_synonym: 2-hydroxypropanoic acid, ion(1-)
has_related_synonym: 2-hydroxypropionate
has_related_synonym: 89.07000
definition: A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group.
database_cross_reference: Beilstein:3587719
has_related_synonym: C3H5O3
database_cross_reference: CAS:113-21-3
has_related_synonym: CC(O)C([O-])=O
id: CHEBI:24996
database_cross_reference: Gmelin:240074
has_related_synonym: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1
has_related_synonym: JVTAAEKCZFNVCJ-UHFFFAOYSA-M
database_cross_reference: KEGG:C01432
has_related_synonym: MeCH(OH)CO2 anion
database_cross_reference: MetaCyc:Lactate
has_related_synonym: b-lactate
has_related_synonym: beta-lactate
has_obo_namespace: chebi_ontology
has_exact_synonym: lactate
imported from: chebi.owl

lactone
type: Class
subclass of: carboxylic ester
subclass of: oxacycle
definition: Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
id: CHEBI:25000
has_related_synonym: Lacton
has_related_synonym: Lakton
has_related_synonym: Laktone
has_obo_namespace: chebi_ontology
has_related_synonym: lactona
has_related_synonym: lactonas
has_exact_synonym: lactone
has_exact_synonym: lactones
imported from: chebi.owl

leucine
type: Class
subclass of: branched-chain amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: is conjugate base of
  some values from: leucinium
subclass of: Restriction
  on property: has part
  some values from: isobutyl group
subclass of: Restriction
  on property: is conjugate acid of
  some values from: leucinate
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
has_related_synonym: (+-)-Leucine
has_related_synonym: (RS)-Leucine
has_related_synonym: 131.17296
has_related_synonym: 2-amino-4-methylpentanoic acid
definition: A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.
database_cross_reference: Beilstein:636005
has_related_synonym: C6H13NO2
database_cross_reference: CAS:328-39-2
has_related_synonym: CC(C)CC(N)C(O)=O
id: CHEBI:25017
has_related_synonym: DL-Leucine
database_cross_reference: Gmelin:50203
has_related_synonym: Hleu
has_related_synonym: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
database_cross_reference: KEGG:C16439
has_related_synonym: L
database_cross_reference: LIPID_MAPS_instance:LMFA01100048
has_related_synonym: Leu
has_related_synonym: Leucin
has_related_synonym: Leuzin
database_cross_reference: PMID:17439666
has_related_synonym: ROHFNLRQFUQHCH-UHFFFAOYSA-N
database_cross_reference: Reaxys:636005
database_cross_reference: Wikipedia:Leucine
has_obo_namespace: chebi_ontology
has_exact_synonym: leucine
imported from: chebi.owl

lignan
type: Class
subclass of: phenylpropanoid
definition: Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an "e".
has_alternative_id: CHEBI:25035
id: CHEBI:25036
has_obo_namespace: chebi_ontology
has_exact_synonym: lignan
has_related_synonym: lignans
imported from: chebi.owl

macrolide
type: Class
subclass of: polyketide
subclass of: macrocyclic lactone
definition: A macrocyclic lactone with a ring of twelve or more members derived from a polyketide.
id: CHEBI:25106
has_related_synonym: Makrolid
database_cross_reference: Wikipedia:Macrolide
has_obo_namespace: chebi_ontology
has_exact_synonym: macrolide
has_exact_synonym: macrolides
has_related_synonym: macrolides
imported from: chebi.owl

magnesium atom
type: Class
subclass of: alkaline earth metal atom
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 12Mg
has_related_synonym: 24.30500
definition: An alkaline earth metal atom that has formula Mg.
database_cross_reference: CAS:7439-95-4
id: CHEBI:25107
database_cross_reference: DrugBank:DB01378
has_related_synonym: FYYHWMGAXLPEAU-UHFFFAOYSA-N
database_cross_reference: Gmelin:16207
has_related_synonym: InChI=1S/Mg
database_cross_reference: KEGG:C00305
has_related_synonym: Magnesium
has_related_synonym: Mg
database_cross_reference: WebElements:Mg
has_related_synonym: [Mg]
has_obo_namespace: chebi_ontology
has_related_synonym: magnesio
has_exact_synonym: magnesium
has_related_synonym: magnesium
imported from: chebi.owl

magnesium molecular entity
type: Class
subclass of: alkaline earth molecular entity
subclass of: Restriction
  on property: has part
  some values from: magnesium atom
id: CHEBI:25108
has_obo_namespace: chebi_ontology
has_related_synonym: magnesium compounds
has_related_synonym: magnesium molecular entities
has_exact_synonym: magnesium molecular entity
imported from: chebi.owl

magnesium porphyrin
type: Class
subclass of: metalloporphyrin
subclass of: magnesium tetrapyrrole
id: CHEBI:25111
has_obo_namespace: chebi_ontology
has_related_synonym: magnesium porphyrins
imported from: chebi.owl

malate
type: Class
subclass of: dicarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: malic acid
definition: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of malic acid.
id: CHEBI:25115
has_obo_namespace: chebi_ontology
has_related_synonym: malate anion
has_related_synonym: malates
has_related_synonym: malic acid anion
imported from: chebi.owl

manganese molecular entity
type: Class
subclass of: manganese group molecular entity
subclass of: Restriction
  on property: has part
  some values from: manganese atom
id: CHEBI:25154
has_obo_namespace: chebi_ontology
has_related_synonym: manganese compounds
has_related_synonym: manganese molecular entities
has_exact_synonym: manganese molecular entity
imported from: chebi.owl

manganese cation
type: Class
subclass of: transition element cation
subclass of: elemental manganese
id: CHEBI:25155
has_related_synonym: Mn
has_obo_namespace: chebi_ontology
has_exact_synonym: manganese cation
has_related_synonym: manganese cations
imported from: chebi.owl

p-menthane monoterpenoid
type: Class
subclass of: monoterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: p-menthane
id: CHEBI:25186
has_obo_namespace: chebi_ontology
has_related_synonym: p-menthane monoterpenoids
imported from: chebi.owl

p-menthan-3-ol
type: Class
subclass of: p-menthane monoterpenoid
subclass of: secondary alcohol
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: 156.26520
definition: Any secondary alcohol that is one of the eight possible diastereoisomers of 5-methyl-2-(propan-2-yl)cyclohexan-1-ol.
has_related_synonym: C10H20O
has_related_synonym: CC(C)C1CCC(C)CC1O
id: CHEBI:25187
has_related_synonym: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
has_related_synonym: NOOLISFMXDJSKH-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

metabolite
type: Class
subclass of: biochemical role
definition: Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
id: CHEBI:25212
has_alternative_id: CHEBI:26619
has_alternative_id: CHEBI:35220
has_obo_namespace: chebi_ontology
has_exact_synonym: metabolite
has_related_synonym: metabolites
has_related_synonym: primary metabolites
has_related_synonym: secondary metabolites
imported from: chebi.owl

metal cation
type: Class
subclass of: monoatomic cation
subclass of: inorganic cation
id: CHEBI:25213
has_related_synonym: a metal cation
has_obo_namespace: chebi_ontology
has_related_synonym: metal cations
imported from: chebi.owl

metalloporphyrin
type: Class
subclass of: porphyrins
subclass of: coordination entity
subclass of: metallotetrapyrrole
id: CHEBI:25216
has_obo_namespace: chebi_ontology
has_related_synonym: metalloporphyrins
has_related_synonym: metaloporphyrins
imported from: chebi.owl

monomethoxybenzene
type: Class
subclass of: methoxybenzene
id: CHEBI:25235
definition: Compounds containing a benzene skeleton substituted with one methoxy group.
has_obo_namespace: chebi_ontology
has_related_synonym: monomethoxybenzenes
imported from: chebi.owl

methoxybenzoate
type: Class
subclass of: benzoates
id: CHEBI:25236
has_obo_namespace: chebi_ontology
has_related_synonym: methoxybenzoates
imported from: chebi.owl

methoxybenzoic acid
type: Class
subclass of: benzoic acids
subclass of: methoxybenzene
definition: Any benzoic acid carrying one or more methoxy substituents.
id: CHEBI:25238
has_obo_namespace: chebi_ontology
has_related_synonym: methoxybenzoic acids
imported from: chebi.owl

methoxyflavanone
type: Class
subclass of: flavanones
subclass of: aromatic ether
definition: A member of the class of flavanones that consists of flavanone with one or more methoxy substituents.
id: CHEBI:25240
has_obo_namespace: chebi_ontology
has_related_synonym: methoxyflavanones
imported from: chebi.owl

methoxyflavone
type: Class
subclass of: flavones
subclass of: ether
definition: Any member of the class of flavones with at least one methoxy substituent.
id: CHEBI:25241
has_obo_namespace: chebi_ontology
has_related_synonym: methoxyflavones
imported from: chebi.owl

methyl ester
type: Class
subclass of: carboxylic ester
subclass of: Restriction
  on property: has functional parent
  some values from: methanol
definition: Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol.
has_related_synonym: C2H3O2R
id: CHEBI:25248
has_related_synonym: COC([*])=O
has_related_synonym: carboxylic acid methyl ester
has_related_synonym: carboxylic acid methyl esters
has_obo_namespace: chebi_ontology
imported from: chebi.owl

mitochondrial respiratory-chain inhibitor
type: Class
subclass of: respiratory-chain inhibitor
id: CHEBI:25355
has_obo_namespace: chebi_ontology
has_related_synonym: mitochondrial electron transport chain inhibitors
has_related_synonym: mitochondrial electron-transport chain inhibitor
has_related_synonym: mitochondrial respiratory chain inhibitors
imported from: chebi.owl

molecule
type: Class
subclass of: polyatomic entity
definition: Any polyatomic entity that is an electrically neutral entity consisting of more than one atom.
id: CHEBI:25367
has_related_synonym: Molekuel
has_obo_namespace: chebi_ontology
has_related_synonym: molecula
has_exact_synonym: molecule
has_related_synonym: molecules
has_related_synonym: neutral molecular compounds
imported from: chebi.owl

molybdenum molecular entity
type: Class
subclass of: chromium group molecular entity
subclass of: Restriction
  on property: has part
  some values from: molybdenum atom
id: CHEBI:25370
has_obo_namespace: chebi_ontology
has_related_synonym: molybdenum compounds
has_related_synonym: molybdenum molecular entities
imported from: chebi.owl

monocarboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: monocarboxylic acid anion
definition: An oxoacid containing a single carboxy group.
id: CHEBI:25384
has_obo_namespace: chebi_ontology
has_exact_synonym: monocarboxylic acid
has_related_synonym: monocarboxylic acids
imported from: chebi.owl

monohydroxybenzoate
type: Class
subclass of: hydroxybenzoate
definition: A hydroxybenzoate carrying a single hydroxy substituent at unspecified position.
id: CHEBI:25388
has_obo_namespace: chebi_ontology
has_related_synonym: monohydroxybenzoates
imported from: chebi.owl

monohydroxybenzoic acid
type: Class
subclass of: hydroxybenzoic acid
definition: Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring.
id: CHEBI:25389
has_obo_namespace: chebi_ontology
has_related_synonym: monohydroxybenzoic acids
imported from: chebi.owl

monoterpene ketone
type: Class
subclass of: terpene ketone
definition: A terpene ketone derived from a monoterpene.
id: CHEBI:25408
has_obo_namespace: chebi_ontology
has_related_synonym: monoterpene ketones
imported from: chebi.owl

monoterpenoid
type: Class
subclass of: terpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: monoterpene
definition: Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
id: CHEBI:25409
database_cross_reference: LIPID_MAPS_class:LMPR0102
has_obo_namespace: chebi_ontology
has_related_synonym: monoterpenoids
imported from: chebi.owl

monoterpenols
type: Class
subclass of: terpenol
id: CHEBI:25411
database_cross_reference: KEGG:C00863
has_obo_namespace: chebi_ontology
has_exact_synonym: monoterpenols
imported from: chebi.owl

monounsaturated fatty acid
type: Class
subclass of: unsaturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: monounsaturated fatty acid anion
definition: Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment.
id: CHEBI:25413
has_related_synonym: MUFA
has_related_synonym: MUFAs
database_cross_reference: PMID:10584045
database_cross_reference: PMID:12936956
has_obo_namespace: chebi_ontology
has_related_synonym: monounsaturated fatty acids
imported from: chebi.owl

monoatomic monocation
type: Class
subclass of: monoatomic cation
has_related_synonym: 0.00000
id: CHEBI:25414
has_related_synonym: [*+]
has_obo_namespace: chebi_ontology
has_related_synonym: monoatomic monocations
has_related_synonym: monovalent cation
has_related_synonym: monovalent inorganic cations
imported from: chebi.owl

morphinane alkaloid
type: Class
subclass of: isoquinoline alkaloid
definition: An isoquinoline alkaloid based on a morphinan skeleton and its substituted derivatives.
id: CHEBI:25418
has_obo_namespace: chebi_ontology
has_related_synonym: morphinane alkaloids
imported from: chebi.owl

monoatomic polycation
type: Class
subclass of: monoatomic cation
id: CHEBI:25430
has_obo_namespace: chebi_ontology
has_related_synonym: monoatomic polycations
has_related_synonym: multivalent inorganic cations
imported from: chebi.owl

mutagen
type: Class
subclass of: genotoxin
definition: An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
id: CHEBI:25435
database_cross_reference: Wikipedia:Mutagen
has_obo_namespace: chebi_ontology
has_related_synonym: mutagene
has_related_synonym: mutagenes
has_related_synonym: mutagenic agent
has_related_synonym: mutageno
has_related_synonym: mutagenos
has_related_synonym: mutagens
imported from: chebi.owl

naphthalenes
type: Class
subclass of: benzenoid aromatic compound
subclass of: carbobicyclic compound
definition: Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings.
id: CHEBI:25477
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nematicide
type: Class
subclass of: pesticide
definition: A substance used to destroy pests of the phylum Nematoda (roundworms).
id: CHEBI:25491
database_cross_reference: Wikipedia:Nematicide
has_obo_namespace: chebi_ontology
has_related_synonym: nematicides
has_related_synonym: nematocide
imported from: chebi.owl

neohesperidoside
type: Class
subclass of: glycoside
subclass of: Restriction
  on property: has functional parent
  some values from: alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose
definition: A glycoside containing alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue as the sugar unit.
id: CHEBI:25495
has_obo_namespace: chebi_ontology
has_exact_synonym: neohesperidoside
has_related_synonym: neohesperidosides
imported from: chebi.owl

neurotransmitter
type: Class
subclass of: molecular messenger
definition: An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
id: CHEBI:25512
database_cross_reference: Wikipedia:Neurotransmitter
has_obo_namespace: chebi_ontology
has_related_synonym: neurotransmitters
imported from: chebi.owl

nickel cation
type: Class
subclass of: transition element cation
subclass of: nickel ion
id: CHEBI:25516
has_related_synonym: Ni
has_related_synonym: Ni cation
has_obo_namespace: chebi_ontology
has_exact_synonym: nickel cation
has_related_synonym: nickel cations
imported from: chebi.owl

nitrogen atom
type: Class
subclass of: nonmetal atom
subclass of: pnictogen
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 7N
id: CHEBI:25555
has_related_synonym: N
has_related_synonym: Stickstoff
database_cross_reference: WebElements:N
has_related_synonym: azote
has_obo_namespace: chebi_ontology
has_related_synonym: nitrogen
has_exact_synonym: nitrogen
has_related_synonym: nitrogeno
imported from: chebi.owl

nonaprenol
type: Class
subclass of: polyprenol
definition: Any polyprenol composed of at least nine isoprene units.
id: CHEBI:25582
has_obo_namespace: chebi_ontology
has_related_synonym: nonaprenols
imported from: chebi.owl

nonmetal atom
type: Class
subclass of: atom
id: CHEBI:25585
has_related_synonym: Nichtmetall
has_related_synonym: Nichtmetalle
has_obo_namespace: chebi_ontology
has_related_synonym: no metal
has_related_synonym: no metales
has_related_synonym: non-metal
has_related_synonym: non-metaux
has_exact_synonym: nonmetal
has_related_synonym: nonmetal
has_related_synonym: nonmetals
imported from: chebi.owl

nucleoside phosphate
type: Class
subclass of: organic phosphate
subclass of: phosphoric ester
subclass of: nucleobase-containing molecular entity
subclass of: Restriction
  on property: has functional parent
  some values from: nucleoside
definition: A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates.
id: CHEBI:25608
database_cross_reference: KEGG:C01329
has_related_synonym: NMP
has_related_synonym: Nucleoside monophosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside phosphates
imported from: chebi.owl

octadecadienoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: polyunsaturated fatty acid anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: octadecadienoic acid
has_related_synonym: 279.4393
definition: A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3.
has_related_synonym: C18H31O2
id: CHEBI:25626
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: octadecadienoate
imported from: chebi.owl

octadecadienoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: polyunsaturated fatty acid
subclass of: olefinic fatty acid
subclass of: straight-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: octadecadienoate
has_related_synonym: 18:2
definition: Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds.
has_related_synonym: C18:2
has_related_synonym: C18H32O2
database_cross_reference: CAS:26764-25-0
id: CHEBI:25627
has_related_synonym: FA (18:2)
database_cross_reference: PMID:6794350
has_obo_namespace: chebi_ontology
has_exact_synonym: octadecadienoic acid
imported from: chebi.owl

stearate
type: Class
subclass of: long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 18:0
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: stearic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 283.46930
definition: A fatty acid anion 18:0 that is the conjugate base of stearic acid. Stearates have a variety of uses in the pharmaceutical industry.
database_cross_reference: Beilstein:3590530
has_related_synonym: C18H35O2
database_cross_reference: CAS:646-29-7
has_related_synonym: CCCCCCCCCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]16-COO(-)
has_alternative_id: CHEBI:231588
id: CHEBI:25629
database_cross_reference: Gmelin:344065
has_related_synonym: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1
database_cross_reference: KEGG:C01530
database_cross_reference: MetaCyc:STEARIC_ACID
database_cross_reference: PMID:16401590
database_cross_reference: PMID:19184617
database_cross_reference: PMID:3180776
database_cross_reference: PMID:7452460
has_related_synonym: QIQXTHQIDYTFRH-UHFFFAOYSA-M
database_cross_reference: Reaxys:3590530
has_exact_synonym: Stearate
has_obo_namespace: chebi_ontology
has_related_synonym: octadecanoate
has_exact_synonym: octadecanoate
has_related_synonym: octadecanoic acid, ion(1-)
has_exact_synonym: stearate
has_related_synonym: stearic acid, ion(1-)
imported from: chebi.owl

octadecenoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: monounsaturated fatty acid
subclass of: olefinic fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: octadecenoate
definition: Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain.
has_related_synonym: C18H34O2
id: CHEBI:25634
database_cross_reference: PMID:18832207
database_cross_reference: PMID:19106329
database_cross_reference: PMID:7276754
has_obo_namespace: chebi_ontology
has_exact_synonym: octadecenoic acid
imported from: chebi.owl

octadienol
type: Class
subclass of: primary alcohol
subclass of: alkenyl alcohol
definition: A primary alcohol that is octanol consisting of two double bonds at unspecified positions.
id: CHEBI:25639
has_obo_namespace: chebi_ontology
has_related_synonym: octadienols
imported from: chebi.owl

octanoate
type: Class
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 8:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: octanoic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 1-heptanecarboxylate
has_related_synonym: 143.204
definition: A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.
database_cross_reference: Beilstein:3588079
has_related_synonym: C(CCCCCC)C(=O)[O-]
has_related_synonym: C8H15O2
database_cross_reference: CAS:74-81-7
has_related_synonym: CH3-[CH2]6-COO(-)
id: CHEBI:25646
database_cross_reference: Gmelin:329219
has_related_synonym: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
database_cross_reference: PMID:11983812
database_cross_reference: Reaxys:3588079
database_cross_reference: UM-BBD_compID:c0047
has_related_synonym: WWZKQHOCKIZLMA-UHFFFAOYSA-M
has_related_synonym: caprilate
has_related_synonym: caprylate
has_obo_namespace: chebi_ontology
has_related_synonym: n-caprylate
has_related_synonym: n-octanoate
has_related_synonym: n-octoate
has_related_synonym: n-octylate
has_exact_synonym: octanoate
has_related_synonym: octanoic acid, ion(1-)
has_related_synonym: octylate
imported from: chebi.owl

organic heteromonocyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: heteromonocyclic compound
id: CHEBI:25693
has_obo_namespace: chebi_ontology
has_related_synonym: organic heteromonocyclic compounds
imported from: chebi.owl

organic anion
type: Class
subclass of: anion
subclass of: organic ion
id: CHEBI:25696
has_obo_namespace: chebi_ontology
has_related_synonym: organic anions
imported from: chebi.owl

organic cation
type: Class
subclass of: organic ion
subclass of: cation
definition: Any organic ion with a net positive charge.
id: CHEBI:25697
has_obo_namespace: chebi_ontology
has_related_synonym: organic cations
imported from: chebi.owl

ether
type: Class
subclass of: organooxygen compound
has_related_synonym: 15.99940
definition: An organooxygen compound with formula ROR, where R is not hydrogen.
id: CHEBI:25698
has_related_synonym: OR2
has_related_synonym: [*]O[*]
has_obo_namespace: chebi_ontology
has_exact_synonym: ether
has_related_synonym: ethers
has_exact_synonym: ethers
imported from: chebi.owl

organic ion
type: Class
subclass of: ion
subclass of: organic molecular entity
id: CHEBI:25699
has_obo_namespace: chebi_ontology
has_related_synonym: organic ions
imported from: chebi.owl

organic phosphate
type: Class
subclass of: organophosphorus compound
subclass of: phosphate
id: CHEBI:25703
has_obo_namespace: chebi_ontology
has_exact_synonym: organic phosphate
has_related_synonym: organic phosphate ester
has_related_synonym: organic phosphate esters
has_related_synonym: organic phosphates
has_related_synonym: organophosphate ester
has_related_synonym: organophosphate esters
imported from: chebi.owl

aliphatic alcohol
type: Class
subclass of: alcohol
has_related_synonym: 17.007
has_exact_synonym: Aliphatic alcohol
definition: An alcohol derived from an aliphatic compound.
id: CHEBI:2571
has_related_synonym: HOR
database_cross_reference: KEGG:C02525
has_related_synonym: aliphatic alcohols
has_related_synonym: an aliphatic alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organophosphorus compound
type: Class
subclass of: phosphorus molecular entity
subclass of: heteroorganic entity
definition: An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters.
id: CHEBI:25710
has_obo_namespace: chebi_ontology
has_exact_synonym: organophosphorus compound
has_related_synonym: organophosphorus compounds
imported from: chebi.owl

osmolyte
type: Class
subclass of: biological role
definition: A solute used by a cell under water stress to maintain cell volume.
id: CHEBI:25728
has_obo_namespace: chebi_ontology
has_related_synonym: osmolytes
imported from: chebi.owl

oxide
type: Class
subclass of: oxygen molecular entity
subclass of: heteroatomic molecular entity
definition: An oxide is a chemical compound of oxygen with other chemical elements.
id: CHEBI:25741
has_obo_namespace: chebi_ontology
has_exact_synonym: oxide
has_related_synonym: oxides
imported from: chebi.owl

oxo carboxylic acid
type: Class
subclass of: carboxylic acid
definition: Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule.
id: CHEBI:25754
has_obo_namespace: chebi_ontology
has_related_synonym: oxo acids
has_related_synonym: oxo carboxylic acids
has_exact_synonym: oxo carboxylic acids
imported from: chebi.owl

unsaturated fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: unsaturated fatty acid
definition: Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety.
id: CHEBI:2580
has_related_synonym: an unsaturated fatty acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oxygen atom
type: Class
subclass of: nonmetal atom
subclass of: chalcogen
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 15.99940
has_related_synonym: 8O
definition: A chalcogen that has formula O.
id: CHEBI:25805
has_related_synonym: InChI=1S/O
database_cross_reference: KEGG:C00007
has_related_synonym: O
has_related_synonym: QVGXLLKOCUKJST-UHFFFAOYSA-N
has_related_synonym: Sauerstoff
database_cross_reference: WebElements:O
has_related_synonym: [O]
has_obo_namespace: chebi_ontology
has_related_synonym: oxigeno
has_exact_synonym: oxygen
has_related_synonym: oxygen
has_related_synonym: oxygene
imported from: chebi.owl

oxygen molecular entity
type: Class
subclass of: chalcogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: oxygen atom
id: CHEBI:25806
has_obo_namespace: chebi_ontology
has_related_synonym: oxygen molecular entities
has_exact_synonym: oxygen molecular entity
imported from: chebi.owl

p-menthane
type: Class
subclass of: monoterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 1-isopropyl-4-methylcyclohexane
has_related_synonym: 1-methyl-4-(1-methylethyl)-cyclohexane
has_exact_synonym: 1-methyl-4-(propan-2-yl)cyclohexane
has_related_synonym: 140.26580
definition: A monoterpene that has formula C10H20.
database_cross_reference: Beilstein:1900617
has_related_synonym: C10H20
database_cross_reference: CAS:99-82-1
has_related_synonym: CC1CCC(CC1)C(C)C
has_related_synonym: CFJYNSNXFXLKNS-UHFFFAOYSA-N
id: CHEBI:25826
has_related_synonym: InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
database_cross_reference: LIPID_MAPS_instance:LMPR0102090000
has_obo_namespace: chebi_ontology
has_related_synonym: p-Menthan
has_exact_synonym: p-menthane
has_related_synonym: para-menthane
imported from: chebi.owl

hexadecanoate ester
type: Class
subclass of: fatty acid ester
subclass of: Restriction
  on property: has functional parent
  some values from: hexadecanoic acid
definition: A fatty acid ester obtained by condensation of the carboxy group of palmitic acid with a hydroxy group of an alcohol or phenol.
has_related_synonym: C(CCCCCCCCCC)CCCCC(O*)=O
has_related_synonym: C16H31O2R
id: CHEBI:25835
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadecanoate ester
has_related_synonym: hexadecanoate esters
has_related_synonym: palmitate ester
has_related_synonym: palmitate esters
has_related_synonym: palmitic acid ester
has_related_synonym: palmitic acid esters
imported from: chebi.owl

pentacyclic triterpenoid
type: Class
subclass of: triterpenoid
subclass of: organic polycyclic compound
id: CHEBI:25872
has_obo_namespace: chebi_ontology
has_related_synonym: pentacyclic triterpenoids
imported from: chebi.owl

pentahydroxyflavone
type: Class
subclass of: hydroxyflavone
definition: A hydroxyflavone substituted by five hydroxy groups.
id: CHEBI:25883
has_obo_namespace: chebi_ontology
has_related_synonym: pentahydroxyflavones
imported from: chebi.owl

aldopentose phosphate
type: Class
subclass of: aldose phosphate
subclass of: pentose phosphate
id: CHEBI:25900
has_exact_synonym: aldopentose phosphate
has_related_synonym: aldopentose phosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pentose
type: Class
subclass of: monosaccharide
definition: A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose).
id: CHEBI:25901
has_obo_namespace: chebi_ontology
has_exact_synonym: pentose
has_related_synonym: pentoses
imported from: chebi.owl

pesticide
type: Class
subclass of: application
id: CHEBI:25944
has_related_synonym: Pestizid
has_related_synonym: Pestizide
definition: Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
database_cross_reference: Wikipedia:Pesticide
has_obo_namespace: chebi_ontology
has_exact_synonym: pesticide
has_related_synonym: pesticides
imported from: chebi.owl

3-phenyllactic acid
type: Class
subclass of: 2-hydroxy monocarboxylic acid
subclass of: Restriction
  on property: has functional parent
  some values from: rac-lactic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-phenyllactate
has_related_synonym: 166.17390
has_exact_synonym: 2-hydroxy-3-phenylpropanoic acid
has_related_synonym: 2-hydroxy-3-phenylpropionic acid
definition: A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group.
has_related_synonym: C9H10O3
database_cross_reference: CAS:828-01-3
id: CHEBI:25998
has_related_synonym: DL-3-phenyllactic acid
has_related_synonym: DL-beta-phenyllactic acid
database_cross_reference: HMDB:HMDB00779
has_related_synonym: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
database_cross_reference: MetaCyc:CPD-7999
has_related_synonym: OC(Cc1ccccc1)C(O)=O
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:2209791
has_related_synonym: VOXXWSYKYCBWHO-UHFFFAOYSA-N
has_related_synonym: beta-phenyllactic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phenylpropanoid
type: Class
subclass of: organic aromatic compound
definition: Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin.
id: CHEBI:26004
database_cross_reference: Wikipedia:Phenylpropanoid
has_obo_namespace: chebi_ontology
has_related_synonym: phenylpropanoids
imported from: chebi.owl

pheromone
type: Class
subclass of: semiochemical
definition: A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
id: CHEBI:26013
database_cross_reference: PMID:23988175
database_cross_reference: Wikipedia:Pheromone
has_obo_namespace: chebi_ontology
has_related_synonym: ectohormone
has_related_synonym: feromone
has_exact_synonym: pheromone
has_related_synonym: pheromones
imported from: chebi.owl

phosphate
type: Class
subclass of: phosphoric acid derivative
id: CHEBI:26020
definition: Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom.
has_obo_namespace: chebi_ontology
has_related_synonym: phosphates
has_exact_synonym: phosphates
imported from: chebi.owl

phosphoric acid
type: Class
subclass of: phosphoric acids
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: solvent
subclass of: Restriction
  on property: has role
  some values from: fertilizer
subclass of: Restriction
  on property: is conjugate acid of
  some values from: dihydrogenphosphate
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phosphate ion
has_related_synonym: 97.99520
definition: A phosphorus oxoacid that consits of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.
database_cross_reference: Beilstein:1921286
database_cross_reference: CAS:7664-38-2
id: CHEBI:26078
database_cross_reference: Gmelin:2000
has_related_synonym: H3O4P
has_related_synonym: H3PO4
database_cross_reference: HMDB:HMDB02142
has_related_synonym: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
database_cross_reference: KEGG:C00009
database_cross_reference: KEGG:D05467
database_cross_reference: KNApSAcK:C00007408
has_related_synonym: NBIIXXVUZAFLBC-UHFFFAOYSA-N
has_related_synonym: Orthophosphoric acid
database_cross_reference: PMID:11455380
database_cross_reference: PMID:15630224
database_cross_reference: PMID:17439666
database_cross_reference: PMID:17518491
database_cross_reference: PMID:22282755
database_cross_reference: PMID:22333268
database_cross_reference: PMID:22381614
database_cross_reference: PMID:22401268
has_related_synonym: Phosphate
has_exact_synonym: Phosphoric acid
has_related_synonym: Phosphorsaeure
has_related_synonym: Phosphorsaeureloesungen
database_cross_reference: Reaxys:1921286
database_cross_reference: Wikipedia:Phosphoric_Acid
has_related_synonym: [H]OP(=O)(O[H])O[H]
has_related_synonym: [PO(OH)3]
has_related_synonym: acide phosphorique
has_related_synonym: acidum phosphoricum
has_obo_namespace: chebi_ontology
has_related_synonym: orthophosphoric acid
has_exact_synonym: phosphoric acid
has_exact_synonym: tetraoxophosphoric acid
has_exact_synonym: trihydrogen tetraoxophosphate(3-)
has_exact_synonym: trihydroxidooxidophosphorus
imported from: chebi.owl

phosphoric acid derivative
type: Class
subclass of: phosphorus oxoacid derivative
subclass of: Restriction
  on property: has functional parent
  some values from: phosphoric acid
id: CHEBI:26079
has_obo_namespace: chebi_ontology
has_related_synonym: phosphoric acid derivatives
has_related_synonym: phosphoric acids
imported from: chebi.owl

phosphorus molecular entity
type: Class
subclass of: pnictogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: phosphorus atom
id: CHEBI:26082
has_obo_namespace: chebi_ontology
has_related_synonym: phosphorus molecular entities
imported from: chebi.owl

phthalate
type: Class
subclass of: benzenes
subclass of: dicarboxylic acid dianion
subclass of: Restriction
  on property: is conjugate base of
  some values from: phthalic acid
id: CHEBI:26092
has_obo_namespace: chebi_ontology
has_related_synonym: phthalates
imported from: chebi.owl

benzenedicarboxylic acid
type: Class
subclass of: benzoic acids
subclass of: dicarboxylic acid
definition: A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups.
has_related_synonym: C8H6O4
id: CHEBI:26094
has_exact_synonym: benzenedicarboxylic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phytosteroid
type: Class
subclass of: hydroxy steroid
id: CHEBI:26124
has_obo_namespace: chebi_ontology
has_related_synonym: phytosteroids
imported from: chebi.owl

phytosterols
type: Class
subclass of: sterol
subclass of: phytosteroid
id: CHEBI:26125
definition: Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.
database_cross_reference: Wikipedia:Phytosterol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

biological pigment
type: Class
subclass of: biophysical role
definition: An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
id: CHEBI:26130
has_obo_namespace: chebi_ontology
has_related_synonym: pigments
imported from: chebi.owl

piperidinemonocarboxylic acid
type: Class
subclass of: monocarboxylic acid
subclass of: piperidines
id: CHEBI:26148
has_obo_namespace: chebi_ontology
has_related_synonym: piperidinemonocarboxylic acids
imported from: chebi.owl

piperidines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
id: CHEBI:26151
has_obo_namespace: chebi_ontology
imported from: chebi.owl

plant growth regulator
type: Class
subclass of: growth regulator
definition: A chemical, natural or artificial, that can affect the rate of growth of a plant.
id: CHEBI:26155
has_obo_namespace: chebi_ontology
has_related_synonym: plant growth regulators
imported from: chebi.owl

polar amino acid
type: Class
subclass of: amino acid
id: CHEBI:26167
has_alternative_id: CHEBI:8283
database_cross_reference: KEGG:C06699
has_exact_synonym: Polar amino acid
has_obo_namespace: chebi_ontology
has_related_synonym: polar amino acids
imported from: chebi.owl

polyketide
type: Class
subclass of: organooxygen compound
id: CHEBI:26188
definition: Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides.
has_obo_namespace: chebi_ontology
has_exact_synonym: polyketide
has_related_synonym: polyketides
imported from: chebi.owl

polyol
type: Class
subclass of: organic hydroxy compound
definition: A compound that contains two or more hydroxy groups.
id: CHEBI:26191
has_obo_namespace: chebi_ontology
has_related_synonym: polyols
imported from: chebi.owl

polyphenol
type: Class
subclass of: phenols
id: CHEBI:26195
definition: Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group.
database_cross_reference: Wikipedia:Polyphenol
has_obo_namespace: chebi_ontology
has_related_synonym: polyphenols
imported from: chebi.owl

polyprenol
type: Class
subclass of: prenols
has_related_synonym: (C5H8)nC10H18O
has_related_synonym: 0.0
definition: Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units.
id: CHEBI:26199
has_alternative_id: CHEBI:8317
database_cross_reference: KEGG:C06081
has_obo_namespace: chebi_ontology
has_related_synonym: polyprenols
imported from: chebi.owl

polyunsaturated fatty acid
type: Class
subclass of: unsaturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: polyunsaturated fatty acid anion
definition: Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome.
id: CHEBI:26208
database_cross_reference: PMID:14977874
database_cross_reference: PMID:16380690
database_cross_reference: PMID:17891522
has_related_synonym: PUFA
has_related_synonym: PUFAs
has_obo_namespace: chebi_ontology
has_related_synonym: polyunsaturated fatty acids
imported from: chebi.owl

porphyrins
type: Class
subclass of: cyclic tetrapyrrole
subclass of: Restriction
  on property: has role
  some values from: cofactor
id: CHEBI:26214
definition: Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
database_cross_reference: Wikipedia:Porphyrin
has_obo_namespace: chebi_ontology
has_exact_synonym: porphyrins
imported from: chebi.owl

potassium atom
type: Class
subclass of: alkali metal atom
subclass of: Restriction
  on property: has role
  some values from: macronutrient
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 19K
has_related_synonym: 39.09830
definition: An alkali metal atom that has formula K.
database_cross_reference: CAS:7440-09-7
id: CHEBI:26216
database_cross_reference: DrugBank:DB01345
has_related_synonym: InChI=1S/K
has_related_synonym: K
database_cross_reference: KEGG:C00238
has_related_synonym: Kalium
database_cross_reference: WebElements:K
has_related_synonym: ZLMJMSJWJFRBEC-UHFFFAOYSA-N
has_related_synonym: [K]
has_obo_namespace: chebi_ontology
has_related_synonym: kalium
has_related_synonym: potasio
has_exact_synonym: potassium
has_related_synonym: potassium
imported from: chebi.owl

potassium molecular entity
type: Class
subclass of: alkali metal molecular entity
subclass of: Restriction
  on property: has part
  some values from: potassium atom
id: CHEBI:26217
has_obo_namespace: chebi_ontology
has_related_synonym: potassium molecular entities
has_exact_synonym: potassium molecular entity
imported from: chebi.owl

prenols
type: Class
subclass of: isoprenoid
subclass of: alcohol
definition: Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids).
id: CHEBI:26244
database_cross_reference: PMID:3113948
database_cross_reference: PMID:4207873
has_obo_namespace: chebi_ontology
has_exact_synonym: prenols
imported from: chebi.owl

proanthocyanidin
type: Class
subclass of: tannin
subclass of: flavonoid oligomer
subclass of: Restriction
  on property: has functional parent
  some values from: hydroxyflavan
definition: A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans.
id: CHEBI:26267
database_cross_reference: Wikipedia:Proanthocyanidin
has_obo_namespace: chebi_ontology
has_related_synonym: condensed tannins
has_related_synonym: polyflavonoid tannins
has_related_synonym: proanthocyanidins
imported from: chebi.owl

proline
type: Class
subclass of: alpha-amino acid
subclass of: pyrrolidines
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: prolinate
subclass of: Restriction
  on property: is conjugate base of
  some values from: prolinium
has_related_synonym: 115.13050
definition: An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.
database_cross_reference: Beilstein:80809
has_related_synonym: C5H9NO2
database_cross_reference: CAS:609-36-9
id: CHEBI:26271
has_related_synonym: DL-Proline
database_cross_reference: Gmelin:26927
has_related_synonym: Hpro
has_related_synonym: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
database_cross_reference: KEGG:C16435
has_related_synonym: OC(=O)C1CCCN1
has_related_synonym: ONIBWKKTOPOVIA-UHFFFAOYSA-N
database_cross_reference: PMID:16534801
database_cross_reference: PMID:21400017
database_cross_reference: PMID:21903295
database_cross_reference: PMID:22264337
database_cross_reference: PMID:22280966
database_cross_reference: PMID:22770225
has_related_synonym: Prolin
database_cross_reference: Reaxys:80809
database_cross_reference: Wikipedia:Proline
has_obo_namespace: chebi_ontology
has_related_synonym: prolina
has_exact_synonym: proline
has_related_synonym: pyrrolidine-2-carboxylic acid
imported from: chebi.owl

propane-1,2-diols
type: Class
subclass of: propanediol
id: CHEBI:26284
has_obo_namespace: chebi_ontology
has_exact_synonym: propane-1,2-diols
imported from: chebi.owl

propanediol
type: Class
subclass of: glycol
id: CHEBI:26288
has_obo_namespace: chebi_ontology
has_related_synonym: propanediols
imported from: chebi.owl

psoralens
type: Class
subclass of: furanocoumarin
definition: A furanocoumarin with a 7H-furo[3,2-g]chromen-7-one skeleton and its substituted derivatives thereof.
id: CHEBI:26369
has_obo_namespace: chebi_ontology
has_related_synonym: psoralenes
imported from: chebi.owl

pterocarpans
type: Class
subclass of: benzofurochromene
subclass of: flavonoids
has_related_synonym: 212.15930
has_related_synonym: C15O2R12
id: CHEBI:26377
has_alternative_id: CHEBI:60953
definition: Members of the class of benzofurochromene with a 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They generally bear structural resemblance to isoflavanoids that possess antibiotic activity and are produced by plant tissues in response to infection. They are the 3,4-dihydroderivatives of coumestans.
database_cross_reference: MetaCyc:PTEROCARPANS
database_cross_reference: Wikipedia:Pterocarpan
has_obo_namespace: chebi_ontology
has_related_synonym: isoflavonoid phytoalexin
has_related_synonym: isoflavonoid phytoalexins
imported from: chebi.owl

purine nucleobase
type: Class
subclass of: nucleobase
subclass of: purines
id: CHEBI:26386
database_cross_reference: KEGG:C15587
has_obo_namespace: chebi_ontology
has_related_synonym: purine bases
has_exact_synonym: purine nucleobase
has_related_synonym: purine nucleobases
imported from: chebi.owl

purine nucleoside diphosphate
type: Class
subclass of: nucleoside diphosphate
id: CHEBI:26391
has_obo_namespace: chebi_ontology
has_related_synonym: purine nucleoside diphosphates
imported from: chebi.owl

purine nucleoside monophosphate
type: Class
subclass of: nucleoside 5'-monophosphate
id: CHEBI:26392
has_obo_namespace: chebi_ontology
has_related_synonym: purine nucleoside monophosphates
imported from: chebi.owl

purine nucleoside
type: Class
subclass of: purines
subclass of: nucleoside
id: CHEBI:26394
has_obo_namespace: chebi_ontology
has_exact_synonym: purine nucleoside
has_related_synonym: purine nucleosides
imported from: chebi.owl

purine nucleotide
type: Class
subclass of: purines
subclass of: nucleotide
definition: Any nucleotide that has a purine nucleobase.
id: CHEBI:26395
has_obo_namespace: chebi_ontology
has_related_synonym: purine nucleotides
imported from: chebi.owl

purine ribonucleoside diphosphate
type: Class
subclass of: ribonucleoside diphosphate
subclass of: purine nucleoside diphosphate
id: CHEBI:26396
has_obo_namespace: chebi_ontology
has_related_synonym: purine ribonucleoside diphosphates
imported from: chebi.owl

purine ribonucleoside monophosphate
type: Class
subclass of: purine nucleoside monophosphate
subclass of: ribonucleoside monophosphate
id: CHEBI:26397
has_obo_namespace: chebi_ontology
has_related_synonym: purine ribonucleoside monophosphates
imported from: chebi.owl

purine ribonucleoside
type: Class
subclass of: ribonucleoside
subclass of: purine nucleoside
id: CHEBI:26399
has_obo_namespace: chebi_ontology
has_related_synonym: purine ribonucleosides
imported from: chebi.owl

purine ribonucleotide
type: Class
subclass of: purine nucleotide
subclass of: ribonucleotide
definition: Any ribonucleotide that has a purine nucleobase.
id: CHEBI:26400
has_obo_namespace: chebi_ontology
has_related_synonym: purine ribonucleotides
imported from: chebi.owl

purines
type: Class
subclass of: imidazopyrimidine
definition: A class of imidazopyrimidines that consists of purine and its substituted derivatives.
has_alternative_id: CHEBI:13678
id: CHEBI:26401
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pyrans
type: Class
subclass of: organic heteromonocyclic compound
subclass of: oxacycle
id: CHEBI:26407
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pyridine alkaloid
type: Class
subclass of: alkaloid
subclass of: pyridines
id: CHEBI:26416
has_obo_namespace: chebi_ontology
has_related_synonym: pyridine alkaloids
imported from: chebi.owl

pyridinemonocarboxylic acid
type: Class
subclass of: monocarboxylic acid
subclass of: pyridines
subclass of: aromatic carboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: pyridinemonocarboxylate
definition: A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring.
id: CHEBI:26420
has_obo_namespace: chebi_ontology
has_related_synonym: pyridinemonocarboxylic acids
imported from: chebi.owl

pyridines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
definition: Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
id: CHEBI:26421
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pyrimidine nucleobase
type: Class
subclass of: nucleobase
subclass of: pyrimidines
id: CHEBI:26432
has_obo_namespace: chebi_ontology
has_related_synonym: pyrimidine bases
has_exact_synonym: pyrimidine nucleobase
has_related_synonym: pyrimidine nucleobases
imported from: chebi.owl

pyrimidine nucleoside
type: Class
subclass of: nucleoside
subclass of: pyrimidines
id: CHEBI:26440
database_cross_reference: KEGG:C03169
has_related_synonym: N-D-Ribosylpyrimidine
has_obo_namespace: chebi_ontology
has_related_synonym: pyrimidine nucleosides
imported from: chebi.owl

quaternary nitrogen compound
type: Class
subclass of: organonitrogen compound
subclass of: Restriction
  on property: has part
  some values from: quaternary ammonium ion
definition: A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen.
id: CHEBI:26469
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quinate
type: Class
subclass of: cyclitol carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: quinic acid
definition: A cyclitol carboxylic acid anion that is conjugate base of quinic acid.
id: CHEBI:26490
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quinic acid
type: Class
subclass of: cyclitol carboxylic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: quinate
definition: A cyclitol carboxylic acid.
id: CHEBI:26493
database_cross_reference: PMID:15589483
database_cross_reference: PMID:19952409
database_cross_reference: PMID:23590498
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quinoline alkaloid
type: Class
subclass of: alkaloid
id: CHEBI:26509
has_obo_namespace: chebi_ontology
has_related_synonym: quinoline alkaloids
imported from: chebi.owl

retinals
type: Class
subclass of: aldehyde
subclass of: retinoid
id: CHEBI:26534
has_obo_namespace: chebi_ontology
imported from: chebi.owl

retinoic acid
type: Class
subclass of: retinoid
subclass of: alpha,beta-unsaturated monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: retinoate
has_exact_synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
has_related_synonym: 300.43512
definition: A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).
has_related_synonym: C20H28O2
id: CHEBI:26536
has_related_synonym: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)
database_cross_reference: LINCS:LSM-2135
database_cross_reference: PMID:24506204
has_related_synonym: SHGAZHPCJJPHSC-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

retinoid
type: Class
subclass of: diterpenoid
id: CHEBI:26537
definition: Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
has_obo_namespace: chebi_ontology
has_exact_synonym: retinoid
has_related_synonym: retinoids
has_exact_synonym: retinoids
imported from: chebi.owl

rhamnose
type: Class
subclass of: deoxymannose
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: bacterial metabolite
definition: A deoxymannose sugar that is the 6-deoxy derivative of hexose.
has_related_synonym: C6H12O5
id: CHEBI:26546
database_cross_reference: PMID:24211429
database_cross_reference: PMID:24831810
has_obo_namespace: chebi_ontology
has_related_synonym: ramnose
has_exact_synonym: rhamnose
imported from: chebi.owl

rhamnoside
type: Class
subclass of: deoxy hexoside
id: CHEBI:26547
has_obo_namespace: chebi_ontology
has_exact_synonym: rhamnoside
has_related_synonym: rhamnosides
imported from: chebi.owl

rhamnosylglucoside
type: Class
subclass of: glycoside
id: CHEBI:26548
has_obo_namespace: chebi_ontology
has_exact_synonym: rhamnosylglucoside
has_related_synonym: rhamnosylglucosides
imported from: chebi.owl

ribonucleoside monophosphate
type: Class
subclass of: nucleoside 5'-monophosphate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: ribonucleoside monophosphate oxoanion
id: CHEBI:26558
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleoside monophosphates
imported from: chebi.owl

ribonucleotide
type: Class
subclass of: ribose phosphate
subclass of: nucleotide
id: CHEBI:26561
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleotides
imported from: chebi.owl

ribose phosphate
type: Class
subclass of: aldopentose phosphate
id: CHEBI:26562
has_obo_namespace: chebi_ontology
has_exact_synonym: ribose phosphate
has_related_synonym: ribose phosphates
imported from: chebi.owl

rutinoside
type: Class
subclass of: rhamnosylglucoside
id: CHEBI:26587
has_obo_namespace: chebi_ontology
has_exact_synonym: rutinoside
has_related_synonym: rutinosides
imported from: chebi.owl

saponin
type: Class
subclass of: glycoside
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: sapogenin
definition: A glycoside that is a compound containing one or more hydrophilic glycoside moieties combined with a lipophilic triterpenoid or steroid derivative. Found in particular abundance in plant species.
id: CHEBI:26605
has_alternative_id: CHEBI:60583
has_obo_namespace: chebi_ontology
has_related_synonym: sapogenin glycoside
has_related_synonym: sapogenin glycosides
has_related_synonym: saponins
imported from: chebi.owl

sapogenin
type: Class
subclass of: organic polycyclic compound
definition: Any organic polycyclic compound that is the aglycon moiety of a saponin; sapogenins may be steroids or triterpenoids.
id: CHEBI:26606
has_obo_namespace: chebi_ontology
has_exact_synonym: sapogenin
has_related_synonym: sapogenins
imported from: chebi.owl

saturated fatty acid
type: Class
subclass of: fatty acid
definition: Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess.
id: CHEBI:26607
database_cross_reference: PMID:16492686
database_cross_reference: PMID:19763019
database_cross_reference: PMID:20237329
has_related_synonym: SFA
has_related_synonym: SFAs
has_obo_namespace: chebi_ontology
has_exact_synonym: saturated fatty acid
has_related_synonym: saturated fatty acids
imported from: chebi.owl

selenium molecular entity
type: Class
subclass of: chalcogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: selenium atom
id: CHEBI:26628
has_obo_namespace: chebi_ontology
has_related_synonym: selenium molecular entities
has_exact_synonym: selenium molecular entity
imported from: chebi.owl

semiochemical
type: Class
subclass of: molecular messenger
definition: A molecular messenger released by an organism that affects the behaviour within or between species.
id: CHEBI:26645
database_cross_reference: Wikipedia:Semiochemical
has_obo_namespace: chebi_ontology
has_related_synonym: semiochemicals
imported from: chebi.owl

serine family amino acid
type: Class
subclass of: L-alpha-amino acid
subclass of: proteinogenic amino acid
has_related_synonym: 3-phosphoglycerate family amino acid
has_related_synonym: 3-phosphoglycerate family amino acids
definition: An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class.
id: CHEBI:26650
database_cross_reference: PMID:20709681
has_obo_namespace: chebi_ontology
has_related_synonym: serine family amino acids
imported from: chebi.owl

sesquiterpene alkaloid
type: Class
subclass of: sesquiterpenoid
subclass of: terpene alkaloid
id: CHEBI:26657
has_obo_namespace: chebi_ontology
has_related_synonym: sesquiterpene alkaloids
imported from: chebi.owl

sesquiterpenoid
type: Class
subclass of: terpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: sesquiterpene
definition: Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
id: CHEBI:26658
database_cross_reference: LIPID_MAPS_class:LMPR0103
has_obo_namespace: chebi_ontology
has_related_synonym: sesquiterpenoides
has_related_synonym: sesquiterpenoids
imported from: chebi.owl

short-chain fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: short-chain fatty acid anion
definition: An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid.
has_related_synonym: CH2OR
id: CHEBI:26666
has_related_synonym: OC([*])=O
database_cross_reference: PMID:16633129
database_cross_reference: PMID:16870803
database_cross_reference: PMID:18203540
database_cross_reference: PMID:20148677
has_related_synonym: SCFA
has_related_synonym: SCFAs
has_obo_namespace: chebi_ontology
has_related_synonym: short-chain fatty acids
imported from: chebi.owl

silicon molecular entity
type: Class
subclass of: carbon group molecular entity
subclass of: Restriction
  on property: has part
  some values from: silicon atom
id: CHEBI:26677
has_obo_namespace: chebi_ontology
has_related_synonym: silicon compounds
has_related_synonym: silicon molecular entities
has_exact_synonym: silicon molecular entity
imported from: chebi.owl

solanesol
type: Class
subclass of: primary alcohol
subclass of: nonaprenol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
has_related_synonym: 631.06850
definition: A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer).
has_related_synonym: AFPLNGZPBSKHHQ-MEGGAXOGSA-N
has_related_synonym: C45H74O
database_cross_reference: CAS:13190-97-1
id: CHEBI:26718
database_cross_reference: Reaxys:1717721
has_obo_namespace: chebi_ontology
imported from: chebi.owl

stigmastane
type: Class
subclass of: steroid fundamental parent
has_related_synonym: 400.72318
definition: A steroid fundamental parent that has formula C29H52.
database_cross_reference: Beilstein:8170826
has_related_synonym: C29H52
id: CHEBI:26773
has_related_synonym: GKBHKNPLNHLYHT-LWQAOISPSA-N
has_related_synonym: InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1
database_cross_reference: LIPID_MAPS_instance:LMST01040000
has_obo_namespace: chebi_ontology
has_exact_synonym: stigmastane
imported from: chebi.owl

styrenes
type: Class
subclass of: benzenes
id: CHEBI:26799
has_obo_namespace: chebi_ontology
imported from: chebi.owl

succinate
type: Class
subclass of: dicarboxylic acid anion
definition: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of succinic acid.
id: CHEBI:26806
has_obo_namespace: chebi_ontology
has_related_synonym: succinate anion
has_related_synonym: succinates
has_related_synonym: succinic acid anion
imported from: chebi.owl

carbohydrate phosphate
type: Class
subclass of: organic phosphate
subclass of: phosphoric ester
subclass of: carbohydrate derivative
id: CHEBI:26816
has_related_synonym: carbohydrate phosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sulfur atom
type: Class
subclass of: nonmetal atom
subclass of: chalcogen
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 16S
has_related_synonym: 32.06600
definition: A chalcogen that has formula S.
database_cross_reference: CAS:7704-34-9
id: CHEBI:26833
has_related_synonym: Elemental sulfur
has_related_synonym: InChI=1S/S
database_cross_reference: KEGG:C00087
database_cross_reference: KEGG:D06527
has_related_synonym: NINIDFKCEFEMDL-UHFFFAOYSA-N
has_related_synonym: S
has_related_synonym: Schwefel
database_cross_reference: WebElements:S
has_related_synonym: [S]
has_related_synonym: azufre
has_obo_namespace: chebi_ontology
has_related_synonym: soufre
has_exact_synonym: sulfur
has_related_synonym: sulfur
has_related_synonym: sulphur
has_related_synonym: theion
imported from: chebi.owl

sulfur-containing amino acid
type: Class
subclass of: sulfur-containing carboxylic acid
subclass of: amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: sulfur-containing amino-acid anion
id: CHEBI:26834
has_obo_namespace: chebi_ontology
has_related_synonym: sulfur-containing amino acids
imported from: chebi.owl

sulfur molecular entity
type: Class
subclass of: chalcogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: sulfur atom
id: CHEBI:26835
has_obo_namespace: chebi_ontology
has_related_synonym: sulfur molecular entities
has_exact_synonym: sulfur molecular entity
imported from: chebi.owl

tannin
type: Class
subclass of: polyphenol
subclass of: Restriction
  on property: has role
  some values from: astringent
definition: Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol.
id: CHEBI:26848
database_cross_reference: Wikipedia:Tannin
has_obo_namespace: chebi_ontology
has_related_synonym: tannins
imported from: chebi.owl

tartaric acid
type: Class
subclass of: 2,3-dihydroxybutanedioic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: tartrate(1-)
has_related_synonym: (2R,3R)-rel-2,3-dihydroxybutanedioic acid
has_related_synonym: (2RS,3RS)-tartaric acid
has_related_synonym: (R*,R*)-(+-)-2,3-dihydroxybutanedioic acid
has_related_synonym: (R*,R*)-2,3-dihydroxybutanedioic acid
has_related_synonym: 150.08684
database_cross_reference: Beilstein:1725148
database_cross_reference: Beilstein:6270431
has_related_synonym: C4H6O6
database_cross_reference: CAS:133-37-9
id: CHEBI:26849
has_related_synonym: DL-tartaric acid
database_cross_reference: Gmelin:82691
database_cross_reference: PMID:24507823
database_cross_reference: PMID:24556732
has_related_synonym: Traubensaeure
has_related_synonym: Vogesensaeure
database_cross_reference: YMDB:YMDB01788
has_related_synonym: acide tartrique
has_related_synonym: acido tartarico
has_obo_namespace: chebi_ontology
has_related_synonym: dl-tartaric acid
has_related_synonym: para-Weinsaeure
has_related_synonym: paratartaric acid
has_related_synonym: racemic acid
has_related_synonym: racemic tartaric acid
has_related_synonym: racemische Weinsaeure
has_exact_synonym: rel-(2R,3R)-2,3-dihydroxybutanedioic acid
has_related_synonym: resolvable tartaric acid
has_related_synonym: uvic acid
imported from: chebi.owl

terpene alkaloid
type: Class
subclass of: alkaloid
subclass of: terpenoid
id: CHEBI:26871
has_obo_namespace: chebi_ontology
has_related_synonym: terpene alkaloids
imported from: chebi.owl

terpene ketone
type: Class
subclass of: ketone
subclass of: terpenoid
definition: Any terpenoid which contains a keto group.
id: CHEBI:26872
has_obo_namespace: chebi_ontology
imported from: chebi.owl

terpenoid
type: Class
subclass of: isoprenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: terpene
definition: Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group.
id: CHEBI:26873
has_exact_synonym: Terpenoid
database_cross_reference: Wikipedia:Terpenoid
has_obo_namespace: chebi_ontology
has_related_synonym: terpenoide
has_related_synonym: terpenoides
has_exact_synonym: terpenoids
imported from: chebi.owl

terpenol
type: Class
subclass of: primary alcohol
id: CHEBI:26874
has_obo_namespace: chebi_ontology
has_related_synonym: terpenols
imported from: chebi.owl

terpineol
type: Class
subclass of: p-menthane monoterpenoid
subclass of: monoterpenols
definition: A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent.
id: CHEBI:26876
database_cross_reference: Wikipedia:Terpineol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tertiary alcohol
type: Class
subclass of: alcohol
has_related_synonym: 71.09780
definition: A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
has_related_synonym: C4H7OR3
id: CHEBI:26878
has_related_synonym: OC(C[*])(C[*])C[*]
has_obo_namespace: chebi_ontology
has_exact_synonym: tertiary alcohol
has_related_synonym: tertiary alcohols
imported from: chebi.owl

oxolanes
type: Class
subclass of: organic heteromonocyclic compound
subclass of: oxacycle
definition: Any oxacycle having an oxolane (tetrahydrofuran) skeleton.
id: CHEBI:26912
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetrapyrrole
type: Class
subclass of: heteroarene
subclass of: polypyrrole
definition: A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.
id: CHEBI:26932
has_obo_namespace: chebi_ontology
has_exact_synonym: tetrapyrrole
has_exact_synonym: tetrapyrroles
imported from: chebi.owl

tetraric acid
type: Class
subclass of: aldaric acid
subclass of: C4-dicarboxylic acid
id: CHEBI:26933
has_obo_namespace: chebi_ontology
has_related_synonym: tetraric acids
imported from: chebi.owl

tetraterpenoid
type: Class
subclass of: terpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: tetraterpene
definition: Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
has_related_synonym: C40 isoprenoids
id: CHEBI:26935
database_cross_reference: LIPID_MAPS_class:LMPR0107
has_obo_namespace: chebi_ontology
has_related_synonym: tetraterpenoides
has_exact_synonym: tetraterpenoids
imported from: chebi.owl

monoatomic tetracation
type: Class
subclass of: monoatomic polycation
has_related_synonym: 0.00000
id: CHEBI:26937
has_related_synonym: [*+4]
has_obo_namespace: chebi_ontology
has_related_synonym: monoatomic tetracations
has_related_synonym: tetravalent inorganic cations
imported from: chebi.owl

thiocarboxylic ester
type: Class
subclass of: organosulfur compound
subclass of: ester
definition: An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur.
id: CHEBI:26959
has_obo_namespace: chebi_ontology
has_related_synonym: thiocarboxylic esters
imported from: chebi.owl

organic heterotricyclic compound
type: Class
subclass of: heterotricyclic compound
subclass of: organic heteropolycyclic compound
subclass of: organic tricyclic compound
definition: An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
id: CHEBI:26979
has_obo_namespace: chebi_ontology
has_related_synonym: heterotricyclic compounds
has_related_synonym: organic heterotricyclic compounds
imported from: chebi.owl

threonine
type: Class
subclass of: 2-amino-3-hydroxybutanoic acid
subclass of: Restriction
  on property: is conjugate base of
  some values from: threoninium
subclass of: Restriction
  on property: is conjugate acid of
  some values from: threoninate
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has part
  some values from: 1-hydroxyethyl group
definition: An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.
database_cross_reference: Beilstein:8204750
has_related_synonym: C4H9NO3
database_cross_reference: CAS:80-68-2
id: CHEBI:26986
database_cross_reference: PMID:11379295
database_cross_reference: PMID:15221503
database_cross_reference: PMID:22264337
has_related_synonym: Threonin
database_cross_reference: Wikipedia:Threonine
has_obo_namespace: chebi_ontology
has_exact_synonym: threonine
imported from: chebi.owl

toluenes
type: Class
subclass of: benzenes
definition: Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group.
id: CHEBI:27024
has_obo_namespace: chebi_ontology
imported from: chebi.owl

toxin
type: Class
subclass of: metabolite
subclass of: poison
id: CHEBI:27026
definition: Poisonous substance produced by a biological organism such as a microbe, animal or plant.
database_cross_reference: Wikipedia:Toxin
has_obo_namespace: chebi_ontology
has_exact_synonym: toxin
has_related_synonym: toxins
imported from: chebi.owl

micronutrient
type: Class
subclass of: nutrient
id: CHEBI:27027
has_obo_namespace: chebi_ontology
has_related_synonym: micronutrients
has_related_synonym: trace elements
imported from: chebi.owl

transition element atom
type: Class
subclass of: metal atom
definition: An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell.
id: CHEBI:27081
has_related_synonym: Uebergangselement
has_related_synonym: Uebergangsmetalle
has_obo_namespace: chebi_ontology
has_related_synonym: metal de transicion
has_related_synonym: metal de transition
has_related_synonym: metales de transicion
has_related_synonym: metaux de transition
has_related_synonym: transition element
has_exact_synonym: transition element
has_related_synonym: transition elements
has_related_synonym: transition metal
has_related_synonym: transition metals
imported from: chebi.owl

tricarboxylic acid trianion
type: Class
subclass of: tricarboxylic acid anion
subclass of: carboxylic acid trianion
id: CHEBI:27092
has_obo_namespace: chebi_ontology
has_related_synonym: tricarboxylate
has_related_synonym: tricarboxylates
has_related_synonym: tricarboxylic acid trianions
imported from: chebi.owl

tricarboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: tricarboxylic acid anion
definition: An oxoacid containing three carboxy groups.
has_related_synonym: C3H3O6R
id: CHEBI:27093
has_related_synonym: Tricarbonsaeure
has_related_synonym: Trikarbonsaeure
database_cross_reference: Wikipedia:Tricarboxylic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: tricarboxylic acids
imported from: chebi.owl

trihydroxybenzoic acid
type: Class
subclass of: hydroxybenzoic acid
id: CHEBI:27115
has_obo_namespace: chebi_ontology
has_related_synonym: trihydroxybenzoic acids
imported from: chebi.owl

trihydroxyflavone
type: Class
subclass of: hydroxyflavone
definition: Any hydroxyflavone carrying three hydroxy groups at unspecified positions.
id: CHEBI:27116
has_obo_namespace: chebi_ontology
has_related_synonym: trihydroxyflavones
imported from: chebi.owl

triol
type: Class
subclass of: polyol
definition: A chemical compound containing three hydroxy groups.
id: CHEBI:27136
has_obo_namespace: chebi_ontology
has_related_synonym: triols
imported from: chebi.owl

tryptamines
type: Class
subclass of: indoles
id: CHEBI:27162
definition: Tryptamine and its substitution derivatives.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic heterobicyclic compound
type: Class
subclass of: heterobicyclic compound
subclass of: organic heteropolycyclic compound
id: CHEBI:27171
has_obo_namespace: chebi_ontology
has_related_synonym: heterobicyclic compounds
has_related_synonym: organic heterobicyclic compounds
imported from: chebi.owl

univalent carboacyl group
type: Class
subclass of: carboacyl group
definition: A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid.
id: CHEBI:27207
has_obo_namespace: chebi_ontology
has_related_synonym: univalent acyl group
has_related_synonym: univalent carboacyl groups
has_related_synonym: univalent carboxylic acyl groups
imported from: chebi.owl

unsaturated fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: unsaturated fatty acid anion
definition: Any fatty acid containing at least one C=C or C#C bond.
id: CHEBI:27208
database_cross_reference: LIPID_MAPS_class:LMFA0103
database_cross_reference: PMID:5322381
has_related_synonym: alkene acid
has_obo_namespace: chebi_ontology
has_related_synonym: olefinic acid
has_related_synonym: unsaturated fatty acids
imported from: chebi.owl

uridines
type: Class
subclass of: pyrimidine ribonucleosides
subclass of: Restriction
  on property: has functional parent
  some values from: uracil
id: CHEBI:27242
has_obo_namespace: chebi_ontology
imported from: chebi.owl

valine
type: Class
subclass of: branched-chain amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: valinate
subclass of: Restriction
  on property: is conjugate base of
  some values from: valinium
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has part
  some values from: isopropyl group
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
has_related_synonym: 117.14638
has_related_synonym: 2-amino-3-methylbutanoic acid
definition: A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.
database_cross_reference: Beilstein:506689
has_related_synonym: C5H11NO2
database_cross_reference: CAS:516-06-3
has_related_synonym: CC(C)C(N)C(O)=O
id: CHEBI:27266
has_related_synonym: DL-valine
database_cross_reference: Gmelin:49877
has_related_synonym: Hval
has_related_synonym: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
database_cross_reference: KEGG:C16436
has_related_synonym: KZSNJWFQEVHDMF-UHFFFAOYSA-N
database_cross_reference: PMID:17190852
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:506689
has_related_synonym: Valin
database_cross_reference: Wikipedia:Valine
has_obo_namespace: chebi_ontology
has_related_synonym: valina
has_exact_synonym: valine
imported from: chebi.owl

very long-chain fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: very long-chain fatty acid anion
definition: A fatty acid which has a chain length greater than C22.
has_related_synonym: CH2OR
id: CHEBI:27283
database_cross_reference: LIPID_MAPS_instance:LMFA01010025
has_related_synonym: OC([*])=O
has_related_synonym: VLCFA
has_related_synonym: VLCFAs
has_obo_namespace: chebi_ontology
has_related_synonym: higher fatty acid
has_related_synonym: very long-chain fatty acids
imported from: chebi.owl

vitamin D
type: Class
subclass of: hydroxy seco-steroid
subclass of: Restriction
  on property: has role
  some values from: fat-soluble vitamin
id: CHEBI:27300
has_related_synonym: D vitamins
definition: Vitamin D is a group of fat-soluble prohormones, which can be obtained from sun exposure, food and supplements. Vitamin D is biologically inactive and converted to the biologically active calcitriol via double hydroxylation in the body.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

volatile oil component
type: Class
subclass of: metabolite
definition: Any metabolite that is found naturally as a component of a volatile oil.
id: CHEBI:27311
database_cross_reference: Wikipedia:Essential_oil
has_obo_namespace: chebi_ontology
has_related_synonym: essential oil component
has_related_synonym: essential oil components
has_related_synonym: ethereal oil component
has_related_synonym: ethereal oil components
has_related_synonym: volatile oil components
imported from: chebi.owl

water-soluble vitamin
type: Class
subclass of: vitamin
id: CHEBI:27314
has_obo_namespace: chebi_ontology
has_related_synonym: wasserloesliche Vitamine
has_related_synonym: water-soluble vitamins
imported from: chebi.owl

xanthophyll
type: Class
subclass of: carotenoid
definition: A subclass of carotenoids consisting of the oxygenated carotenes.
id: CHEBI:27325
database_cross_reference: DrugBank:DB00137
has_obo_namespace: chebi_ontology
has_exact_synonym: xanthophylls
has_related_synonym: xanthophylls
imported from: chebi.owl

xylene
type: Class
subclass of: methylbenzene
has_related_synonym: C8H10
database_cross_reference: CAS:1330-20-7
id: CHEBI:27338
has_related_synonym: Dimethylbenzol
database_cross_reference: KEGG:C19551
database_cross_reference: Wikipedia:Xylene
has_related_synonym: Xylol
has_related_synonym: Xylole
has_obo_namespace: chebi_ontology
has_related_synonym: dimethylbenzene
has_related_synonym: methyl toluene
has_related_synonym: methyltoluene
has_related_synonym: xileno
has_related_synonym: xilenos
has_exact_synonym: xylene
has_related_synonym: xylenes
imported from: chebi.owl

zinc atom
type: Class
subclass of: zinc group element atom
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 30Zn
has_related_synonym: 65.39000
definition: A zinc group element atom that has formula Zn.
database_cross_reference: CAS:7440-66-6
id: CHEBI:27363
database_cross_reference: Gmelin:16321
has_related_synonym: HCHKCACWOHOZIP-UHFFFAOYSA-N
has_related_synonym: InChI=1S/Zn
database_cross_reference: KEGG:C00038
database_cross_reference: PDBeChem:ZN
database_cross_reference: WebElements:Zn
has_related_synonym: Zink
has_related_synonym: Zn
has_related_synonym: Zn(II)
has_related_synonym: Zn2+
has_related_synonym: [Zn]
has_obo_namespace: chebi_ontology
has_related_synonym: cinc
has_related_synonym: zinc
has_exact_synonym: zinc
has_related_synonym: zincum
imported from: chebi.owl

zinc molecular entity
type: Class
subclass of: zinc group molecular entity
subclass of: Restriction
  on property: has part
  some values from: zinc atom
id: CHEBI:27364
has_obo_namespace: chebi_ontology
has_related_synonym: zinc compounds
has_related_synonym: zinc molecular entities
imported from: chebi.owl

zinc ion
type: Class
subclass of: monoatomic ion
subclass of: elemental zinc
id: CHEBI:27365
has_obo_namespace: chebi_ontology
has_exact_synonym: zinc ion
has_related_synonym: zinc ions
imported from: chebi.owl

zwitterion
type: Class
subclass of: dipolar compound
definition: A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer).
id: CHEBI:27369
has_obo_namespace: chebi_ontology
has_related_synonym: compose zwitterionique
has_related_synonym: compuestos zwitterionicos
has_exact_synonym: zwitterion
has_related_synonym: zwitteriones
has_related_synonym: zwitterionic compounds
has_exact_synonym: zwitterions
imported from: chebi.owl

cinnamic acid
type: Class
subclass of: cinnamic acids
subclass of: styrenes
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cinnamate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 148.15862
has_related_synonym: 3-phenyl-2-propenoic acid
has_related_synonym: 3-phenylacrylic acid
has_exact_synonym: 3-phenylprop-2-enoic acid
has_related_synonym: 3-phenylpropenoic acid
definition: A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.
database_cross_reference: Beilstein:507757
has_related_synonym: C9H8O2
database_cross_reference: CAS:621-82-9
has_alternative_id: CHEBI:23250
id: CHEBI:27386
has_alternative_id: CHEBI:3710
has_exact_synonym: Cinnamic acid
database_cross_reference: Gmelin:328659
database_cross_reference: HMDB:HMDB00567
has_related_synonym: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
database_cross_reference: KEGG:C10438
database_cross_reference: PMID:19238838
database_cross_reference: PMID:24636064
database_cross_reference: PMID:24868863
database_cross_reference: PMID:7628877
has_related_synonym: PhCH=CHCO2H
database_cross_reference: Reaxys:507757
has_related_synonym: WBYWAXJHAXSJNI-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Cinnamic_acid
has_related_synonym: Zimtsaeure
has_related_synonym: [H]C(=Cc1ccccc1)C(O)=O
has_related_synonym: benzenepropenoic acid
has_related_synonym: benzylideneacetic acid
has_related_synonym: beta-phenylacrylic acid
has_obo_namespace: chebi_ontology
has_related_synonym: phenylacrylic acid
imported from: chebi.owl

p-xylene
type: Class
subclass of: xylene
has_related_synonym: 1,4-Dimethylbenzene
has_related_synonym: 1,4-Dimethylbenzol
has_exact_synonym: 1,4-xylene
has_related_synonym: 106.16500
has_related_synonym: 4-methyltoluene
has_related_synonym: 4-xylene
definition: A xylene with methyl groups at positions 1 and 4.
database_cross_reference: Beilstein:1901563
has_related_synonym: C8H10
database_cross_reference: CAS:106-42-3
has_alternative_id: CHEBI:10633
has_alternative_id: CHEBI:25832
id: CHEBI:27417
has_alternative_id: CHEBI:45248
has_related_synonym: Cc1ccc(C)cc1
database_cross_reference: DrugBank:DB03463
database_cross_reference: Gmelin:2697
database_cross_reference: HMDB:HMDB59924
has_related_synonym: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
database_cross_reference: KEGG:C06756
database_cross_reference: MetaCyc:CPD-1422
has_related_synonym: PARA-XYLENE
database_cross_reference: PDBeChem:PXY
database_cross_reference: PMID:23316419
database_cross_reference: PMID:24028095
database_cross_reference: Reaxys:1901563
database_cross_reference: UM-BBD_compID:c0083
has_related_synonym: URLKBWYHVLBVBO-UHFFFAOYSA-N
database_cross_reference: Wikipedia:P-Xylene
has_obo_namespace: chebi_ontology
has_related_synonym: p-Methyltoluene
has_exact_synonym: p-Xylene
has_related_synonym: p-Xylol
has_related_synonym: p-dimethylbenzene
has_related_synonym: para-xylene
imported from: chebi.owl

umbelliferone
type: Class
subclass of: hydroxycoumarin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: fluorescent probe
subclass of: Restriction
  on property: has role
  some values from: food component
has_related_synonym: 162.14210
has_related_synonym: 7-Hydroxycoumarin
has_related_synonym: 7-hydroxy-2H-1-benzopyran-2-one
has_exact_synonym: 7-hydroxy-2H-chromen-2-one
definition: A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.
database_cross_reference: Beilstein:127683
has_related_synonym: C9H6O3
database_cross_reference: CAS:93-35-6
has_alternative_id: CHEBI:27187
has_alternative_id: CHEBI:27188
id: CHEBI:27510
has_alternative_id: CHEBI:9858
database_cross_reference: Gmelin:1220112
has_related_synonym: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
database_cross_reference: KEGG:C09315
database_cross_reference: KNApSAcK:C00002503
database_cross_reference: LINCS:LSM-3960
has_related_synonym: ORHBXUUXSCNDEV-UHFFFAOYSA-N
has_related_synonym: Oc1ccc2ccc(=O)oc2c1
has_exact_synonym: Umbelliferone
has_related_synonym: beta-umbelliferone
has_obo_namespace: chebi_ontology
has_related_synonym: hydrangin
has_related_synonym: skimmetin
imported from: chebi.owl

boron atom
type: Class
subclass of: nonmetal atom
subclass of: boron group element atom
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 10.81100
has_related_synonym: 5B
definition: A boron group element atom that has formula B.
has_related_synonym: B
has_related_synonym: Bor
has_related_synonym: Boron
database_cross_reference: CAS:7440-42-8
has_alternative_id: CHEBI:22915
id: CHEBI:27560
has_alternative_id: CHEBI:3152
has_related_synonym: InChI=1S/B
database_cross_reference: KEGG:C06266
database_cross_reference: WebElements:B
has_related_synonym: ZOXJGFHDIHLPTG-UHFFFAOYSA-N
has_related_synonym: [B]
has_related_synonym: boracium
has_related_synonym: bore
has_related_synonym: boro
has_related_synonym: boron
has_exact_synonym: boron
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oxirane
type: Class
subclass of: saturated organic heteromonocyclic parent
subclass of: oxacycle
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: mutagen
has_related_synonym: 1,2-Epoxyaethan
has_related_synonym: 1,2-epoxyethane
has_related_synonym: 44.05256
definition: A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.
has_related_synonym: Aethylenoxid
has_related_synonym: Amprolene
has_related_synonym: Anprolene
has_related_synonym: Anproline
database_cross_reference: Beilstein:102378
has_related_synonym: C1CO1
has_related_synonym: C2H4O
database_cross_reference: CAS:75-21-8
has_alternative_id: CHEBI:24001
id: CHEBI:27561
has_alternative_id: CHEBI:4900
has_related_synonym: Dihydrooxirene
has_related_synonym: Dimethylene oxide
has_related_synonym: ETO
has_related_synonym: Ethylene oxide
database_cross_reference: Gmelin:676
database_cross_reference: HMDB:HMDB31305
has_related_synonym: IAYPIBMASNFSPL-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C2H4O/c1-2-3-1/h1-2H2
database_cross_reference: KEGG:C06548
database_cross_reference: KEGG:D03474
has_related_synonym: Oxacyclopropane
has_related_synonym: Oxane
has_related_synonym: Oxidoethane
has_related_synonym: Oxyfume
database_cross_reference: PMID:11437638
database_cross_reference: PMID:24313866
database_cross_reference: PMID:24882394
database_cross_reference: PMID:25005741
database_cross_reference: PMID:3932500
database_cross_reference: Reaxys:102378
database_cross_reference: UM-BBD_compID:c0527
database_cross_reference: Wikipedia:Oxirane
has_obo_namespace: chebi_ontology
has_related_synonym: epoxyethane
has_related_synonym: ethene oxide
has_exact_synonym: oxirane
has_related_synonym: oxyde d'ethylene
imported from: chebi.owl

selenium atom
type: Class
subclass of: nonmetal atom
subclass of: chalcogen
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 34Se
has_related_synonym: 78.96000
definition: A chalcogen that has formula Se.
has_related_synonym: BUGBHKTXTAQXES-UHFFFAOYSA-N
database_cross_reference: CAS:7782-49-2
has_alternative_id: CHEBI:26627
id: CHEBI:27568
has_alternative_id: CHEBI:9091
has_related_synonym: InChI=1S/Se
database_cross_reference: KEGG:C01529
has_related_synonym: Se
has_related_synonym: Selen
has_related_synonym: Selenium
database_cross_reference: WebElements:Se
has_related_synonym: [Se]
has_obo_namespace: chebi_ontology
has_related_synonym: selenio
has_related_synonym: selenium
has_exact_synonym: selenium
imported from: chebi.owl

histidine
type: Class
subclass of: imidazoles
subclass of: alpha-amino acid
subclass of: Restriction
  on property: is conjugate base of
  some values from: histidinium(1+)
subclass of: Restriction
  on property: has part
  some values from: 1H-imidazol-4-ylmethyl group
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: histidinate(1-)
has_related_synonym: 155.15468
has_exact_synonym: 2-amino-3-(1H-imidazol-4-yl)propanoic acid
definition: An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.
database_cross_reference: Beilstein:84087
has_related_synonym: C6H9N3O2
database_cross_reference: CAS:4998-57-6
has_alternative_id: CHEBI:24598
id: CHEBI:27570
has_alternative_id: CHEBI:43118
has_alternative_id: CHEBI:5733
has_related_synonym: DL-Histidine
database_cross_reference: Gmelin:3656
has_related_synonym: HNDVDQJCIGZPNO-UHFFFAOYSA-N
has_related_synonym: Histidin
has_exact_synonym: Histidine
has_related_synonym: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
database_cross_reference: KEGG:C00768
database_cross_reference: KNApSAcK:C00001363
has_related_synonym: NC(Cc1c[nH]cn1)C(O)=O
database_cross_reference: PMID:17190852
database_cross_reference: PMID:22264337
database_cross_reference: PMID:22770225
database_cross_reference: Reaxys:84087
database_cross_reference: Wikipedia:Histidine
has_related_synonym: alpha-Amino-1H-imidazole-4-propionic acid
has_obo_namespace: chebi_ontology
has_related_synonym: histidina
has_exact_synonym: histidine
imported from: chebi.owl

silicon atom
type: Class
subclass of: nonmetal atom
subclass of: carbon group element atom
has_related_synonym: 14Si
has_related_synonym: 28.08550
definition: A carbon group element atom that has formula Si.
database_cross_reference: CAS:7440-21-3
has_alternative_id: CHEBI:26676
id: CHEBI:27573
has_alternative_id: CHEBI:9140
has_related_synonym: InChI=1S/Si
database_cross_reference: KEGG:C06263
has_related_synonym: Si
has_related_synonym: Silicon
has_related_synonym: Silizium
database_cross_reference: WebElements:Si
has_related_synonym: XUIMIQQOPSSXEZ-UHFFFAOYSA-N
has_related_synonym: [Si]
has_obo_namespace: chebi_ontology
has_related_synonym: silicio
has_related_synonym: silicium
has_exact_synonym: silicon
has_related_synonym: silicon
imported from: chebi.owl

procyanidin B4
type: Class
subclass of: proanthocyanidin
subclass of: hydroxyflavan
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has functional parent
  some values from: (-)-epicatechin
subclass of: Restriction
  on property: has functional parent
  some values from: (+)-catechin
subclass of: Restriction
  on property: has role
  some values from: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
has_exact_synonym: (2R,2'R,3S,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol
has_related_synonym: 578.52020
definition: A proanthocyanidin obtained by the condensation of (-)-epicatechin and (+)-catechin units.
has_related_synonym: C30H26O12
database_cross_reference: CAS:29106-51-2
has_alternative_id: CHEBI:26268
id: CHEBI:27589
has_alternative_id: CHEBI:8447
database_cross_reference: HMDB:HMDB13690
has_related_synonym: InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1
database_cross_reference: KEGG:C10238
database_cross_reference: KNApSAcK:C00002935
database_cross_reference: LIPID_MAPS_instance:LMPK12030004
database_cross_reference: PMID:17638329
database_cross_reference: PMID:17851427
database_cross_reference: PMID:22253995
database_cross_reference: PMID:22320845
database_cross_reference: Patent:US2010047372
database_cross_reference: Patent:WO2010021935
has_exact_synonym: Procyanidin B4
database_cross_reference: Reaxys:3647174
database_cross_reference: Wikipedia:Procyanidin_B4
has_related_synonym: XFZJEEAOWLFHDH-VUGKQVTMSA-N
has_related_synonym: catechin-(4alpha->8)-epicatechin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbon atom
type: Class
subclass of: nonmetal atom
subclass of: carbon group element atom
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 12.01070
has_related_synonym: 6C
definition: A carbon group element atom that has formula C.
has_related_synonym: C
database_cross_reference: CAS:7440-44-0
has_alternative_id: CHEBI:23009
id: CHEBI:27594
has_alternative_id: CHEBI:3399
has_related_synonym: Carbon
has_related_synonym: InChI=1S/C
database_cross_reference: KEGG:C06265
has_related_synonym: Kohlenstoff
has_related_synonym: OKTJSMMVPCPJKN-UHFFFAOYSA-N
database_cross_reference: WebElements:C
has_related_synonym: [C]
has_related_synonym: carbon
has_exact_synonym: carbon
has_related_synonym: carbone
has_related_synonym: carbonium
has_related_synonym: carbono
has_obo_namespace: chebi_ontology
imported from: chebi.owl

psoralen
type: Class
subclass of: psoralens
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 186.16350
has_related_synonym: 186.16354
has_related_synonym: 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone
has_related_synonym: 6,7-furanocoumarin
has_related_synonym: 6-hydroxy-5-benzofuranacrylic acid delta-lactone
has_related_synonym: 7H-furo[3,2-g][1]benzopyran-7-one
has_exact_synonym: 7H-furo[3,2-g]chromen-7-one
database_cross_reference: Beilstein:152784
has_related_synonym: C11H6O3
database_cross_reference: CAS:66-97-7
has_alternative_id: CHEBI:26368
id: CHEBI:27616
has_alternative_id: CHEBI:378534
has_alternative_id: CHEBI:8615
has_related_synonym: Ficusin
has_related_synonym: InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
database_cross_reference: KEGG:C09305
database_cross_reference: KEGG:D08450
database_cross_reference: KNApSAcK:C00000297
has_related_synonym: Manaderm
has_related_synonym: O=c1ccc2cc3ccoc3cc2o1
database_cross_reference: PMID:20196083
database_cross_reference: PMID:21468912
has_exact_synonym: Psoralen
database_cross_reference: Reaxys:152784
definition: The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.
database_cross_reference: Wikipedia:Psoralen
has_related_synonym: ZCCUUQDIBDJBTK-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: furo[2',3':7,6]coumarin
has_related_synonym: furo[4',5':6,7]coumarin
has_related_synonym: furocoumarin
has_exact_synonym: psoralen
has_related_synonym: psoralene
imported from: chebi.owl

beta-D-galactose
type: Class
subclass of: D-galactopyranose
subclass of: Restriction
  on property: is enantiomer of
  some values from: beta-L-galactose
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: epitope
has_related_synonym: 180.15590
definition: A D-galactopyranose having beta-configuration at the anomeric centre.
has_exact_synonym: BETA-D-GALACTOSE
database_cross_reference: Beilstein:1680744
has_related_synonym: C6H12O6
database_cross_reference: CAS:7296-64-2
has_alternative_id: CHEBI:10383
has_alternative_id: CHEBI:22774
id: CHEBI:27667
has_alternative_id: CHEBI:42776
has_alternative_id: CHEBI:42889
has_related_synonym: Gal-beta
database_cross_reference: Gmelin:648639
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
database_cross_reference: KEGG:C00962
database_cross_reference: PDBeChem:GLB
database_cross_reference: PMID:17991151
database_cross_reference: PMID:19443021
database_cross_reference: PMID:25568069
database_cross_reference: Reaxys:1680744
has_related_synonym: WQZGKKKJIJFFOK-FPRJBGLDSA-N
has_related_synonym: beta-D-Gal
has_exact_synonym: beta-D-Galactose
has_exact_synonym: beta-D-galactopyranose
has_exact_synonym: beta-D-galactose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

decanoate
type: Class
subclass of: straight-chain saturated fatty acid anion
subclass of: medium-chain fatty acid anion
subclass of: fatty acid anion 10:0
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: decanoic acid
has_related_synonym: 1-nonanecarboxylate
has_related_synonym: 171.25670
definition: A fatty acid anion 10:0 that is the conjugate base of decanoic acid.
database_cross_reference: Beilstein:3538146
has_related_synonym: C10H19O2
has_related_synonym: CCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]8-COO(-)
has_alternative_id: CHEBI:125804
has_alternative_id: CHEBI:23570
id: CHEBI:27689
has_related_synonym: GHVNFZFCNZKVNT-UHFFFAOYSA-M
database_cross_reference: Gmelin:330643
has_related_synonym: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1
database_cross_reference: KEGG:C01571
database_cross_reference: MetaCyc:CPD-3617
database_cross_reference: Reaxys:3538146
has_related_synonym: caprate
has_related_synonym: caprinate
has_related_synonym: caprynate
has_obo_namespace: chebi_ontology
has_exact_synonym: decanoate
has_related_synonym: decanoic acid anion
has_related_synonym: decoate
has_related_synonym: decylate
has_related_synonym: n-caprate
has_related_synonym: n-decanoate
has_related_synonym: n-decoate
has_related_synonym: n-decylate
has_related_synonym: nC9H19CO2 anion
imported from: chebi.owl

sitosterol
type: Class
subclass of: stigmastane sterol
subclass of: phytosterols
subclass of: 3beta-sterol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: stigmastane
subclass of: Restriction
  on property: has role
  some values from: sterol methyltransferase inhibitor
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: anticholesteremic drug
has_related_synonym: (-)-beta-Sitosterol
has_related_synonym: (24R)-Ethylcholest-5-en-3beta-ol
has_related_synonym: (24R)-Stigmast-5-en-3beta-ol
has_related_synonym: (24R)-ethylcholest-5-en-3beta-ol
has_related_synonym: (3beta)-Stigmast-5-en-3-ol
has_related_synonym: 22,23-Dihydrostigmasterol
has_related_synonym: 24alpha-Ethylcholesterol
has_related_synonym: 414.70670
definition: A phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.
has_related_synonym: Azuprostat
database_cross_reference: Beilstein:1916156
has_related_synonym: C29H50O
database_cross_reference: CAS:83-46-5
has_alternative_id: CHEBI:26692
id: CHEBI:27693
has_alternative_id: CHEBI:9170
has_related_synonym: Cupreol
has_related_synonym: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
database_cross_reference: KEGG:C01753
database_cross_reference: KEGG:D08518
database_cross_reference: KNApSAcK:C00003672
database_cross_reference: KNApSAcK:C00023770
has_related_synonym: KZJWDPNRJALLNS-VJSFXXLFSA-N
database_cross_reference: LIPID_MAPS_instance:LMST01040129
has_related_synonym: Nimbosterol
database_cross_reference: PMID:20525330
database_cross_reference: PMID:23199991
database_cross_reference: PMID:23215694
database_cross_reference: PMID:23250922
database_cross_reference: PMID:23266618
database_cross_reference: PMID:23516045
database_cross_reference: PMID:23624268
has_exact_synonym: Sitosterol
has_related_synonym: Triastonal
has_related_synonym: alpha-Dihydrofucosterol
has_related_synonym: beta-Sitosterin
has_related_synonym: beta-Sitosterol
has_obo_namespace: chebi_ontology
has_exact_synonym: stigmast-5-en-3beta-ol
imported from: chebi.owl

3'-hydroxyflavonoid
type: Class
subclass of: hydroxyflavone
has_related_synonym: 229.16660
has_exact_synonym: 3'-Hydroxyflavonoid
has_related_synonym: 3'-hydroxyflavones
has_exact_synonym: 3'-hydroxyflavonoid
has_related_synonym: 3'-hydroxyflavonoids
definition: Any hydroxyflavone with a hydroxy substituent at position 3'.
has_related_synonym: C15HO3R9
has_alternative_id: CHEBI:1346
has_alternative_id: CHEBI:13597
has_alternative_id: CHEBI:19851
id: CHEBI:27741
database_cross_reference: KEGG:C02790
has_obo_namespace: chebi_ontology
imported from: chebi.owl

isoferulic acid
type: Class
subclass of: ferulic acids
subclass of: Restriction
  on property: has role
  some values from: biomarker
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_exact_synonym: (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
has_related_synonym: 194.18400
has_related_synonym: 3-Hydroxy-4-methoxycinnamic acid
definition: A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.
has_related_synonym: C10H10O4
database_cross_reference: CAS:537-73-5
has_alternative_id: CHEBI:24888
id: CHEBI:27794
has_alternative_id: CHEBI:6010
has_related_synonym: COc1ccc(\C=C\C(O)=O)cc1O
database_cross_reference: DrugBank:DB07109
database_cross_reference: HMDB:HMDB00955
has_related_synonym: Hesperetic acid
has_related_synonym: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
database_cross_reference: KEGG:C10470
database_cross_reference: KNApSAcK:C00002752
database_cross_reference: PDBeChem:4FE
database_cross_reference: PMID:18314290
database_cross_reference: PMID:21937734
database_cross_reference: PMID:21941899
database_cross_reference: PMID:22770225
has_related_synonym: QURCVMIEKCOAJU-HWKANZROSA-N
database_cross_reference: Reaxys:2212760
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-L-rhamnoside
type: Class
subclass of: rhamnoside
has_related_synonym: 163.14850
has_exact_synonym: 6-deoxy-alpha-L-mannopyranoside
has_related_synonym: C6H11O5R
has_alternative_id: CHEBI:10294
has_alternative_id: CHEBI:22426
id: CHEBI:27848
database_cross_reference: KEGG:C02757
has_exact_synonym: alpha-L-Rhamnoside
has_related_synonym: alpha-L-rhamnosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

1,8-cineole
type: Class
subclass of: cineole
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
has_related_synonym: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE
has_exact_synonym: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
has_related_synonym: 1,8-Cineol
has_exact_synonym: 1,8-Cineole
has_exact_synonym: 1,8-cineole
has_related_synonym: 1,8-epoxy-p-menthane
has_related_synonym: 1,8-oxido-p-menthane
has_related_synonym: 154.24932
definition: A cineole that has formula C10H18O.
database_cross_reference: Beilstein:105109
database_cross_reference: Beilstein:5239941
has_related_synonym: C10H18O
database_cross_reference: CAS:470-82-6
has_alternative_id: CHEBI:18956
has_alternative_id: CHEBI:23242
id: CHEBI:27961
has_alternative_id: CHEBI:35814
has_alternative_id: CHEBI:41535
has_alternative_id: CHEBI:561
has_related_synonym: C[C@@]12CC[C@@H](CC1)C(C)(C)O2
database_cross_reference: DrugBank:DB03852
database_cross_reference: Gmelin:131076
has_related_synonym: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
database_cross_reference: KEGG:C09844
database_cross_reference: KEGG:D04115
database_cross_reference: KNApSAcK:C00000136
database_cross_reference: PDBeChem:CNL
has_related_synonym: WEEGYLXZBRQIMU-WAAGHKOSSA-N
database_cross_reference: Wikipedia:Eucalyptol
has_related_synonym: Zineol
has_related_synonym: cajeputol
has_obo_namespace: chebi_ontology
has_related_synonym: cineole
has_related_synonym: eucalyptol
imported from: chebi.owl

luteolin 7-O-beta-D-glucoside
type: Class
subclass of: beta-D-glucoside
subclass of: trihydroxyflavone
subclass of: glycosyloxyflavone
subclass of: monosaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has functional parent
  some values from: luteolin
subclass of: Restriction
  on property: is conjugate acid of
  some values from: luteolin 7-O-beta-D-glucoside(1-)
has_related_synonym: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
has_related_synonym: 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
has_related_synonym: 448.37690
has_exact_synonym: 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one
has_related_synonym: 7-Glucoluteolin
has_related_synonym: 7-Glucosylluteolin
has_related_synonym: 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone
definition: A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
has_related_synonym: C21H20O11
database_cross_reference: CAS:5373-11-5
has_alternative_id: CHEBI:12251
has_alternative_id: CHEBI:20779
has_alternative_id: CHEBI:25089
id: CHEBI:27994
has_alternative_id: CHEBI:29061
has_alternative_id: CHEBI:6582
has_related_synonym: Cinaroside
has_related_synonym: Cynaroside
database_cross_reference: HMDB:HMDB35588
has_related_synonym: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
database_cross_reference: KEGG:C03951
database_cross_reference: KNApSAcK:C00004266
database_cross_reference: LIPID_MAPS_instance:LMPK12110642
has_exact_synonym: Luteolin 7-O-beta-D-glucoside
has_related_synonym: Luteolin 7-O-glucopyranoside
has_related_synonym: Luteolin 7-O-glucoside
has_related_synonym: Luteolin 7-glucoside
has_related_synonym: Luteolin 7-monoglucoside
has_related_synonym: Luteolin-7-glucoside
has_related_synonym: Luteoloside
database_cross_reference: MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCOSIDE
has_related_synonym: PEFNSGRTCBGNAN-QNDFHXLGSA-N
database_cross_reference: PMID:20127879
database_cross_reference: PMID:22741463
database_cross_reference: PMID:23019878
database_cross_reference: PMID:7875536
database_cross_reference: Patent:CN101474196
database_cross_reference: Patent:US2011207684
database_cross_reference: Reaxys:66982
database_cross_reference: Wikipedia:Cynaroside
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-D-galactoside
type: Class
subclass of: D-galactoside
subclass of: Restriction
  on property: has functional parent
  some values from: beta-D-galactose
has_related_synonym: 179.14790
has_related_synonym: C6H11O6R
has_alternative_id: CHEBI:10384
has_alternative_id: CHEBI:22775
has_alternative_id: CHEBI:22776
id: CHEBI:28034
database_cross_reference: KEGG:C00602
has_related_synonym: a beta-D-galactoside
has_exact_synonym: beta-D-Galactoside
has_related_synonym: beta-D-galactopyranoside
has_related_synonym: beta-D-galactosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phenylalanine
type: Class
subclass of: alpha-amino acid
subclass of: aromatic amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phenylalaninate
subclass of: Restriction
  on property: is conjugate base of
  some values from: phenylalaninium
subclass of: Restriction
  on property: has part
  some values from: benzyl group
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
has_related_synonym: 165.18918
has_exact_synonym: 2-amino-3-phenylpropanoic acid
definition: An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.
database_cross_reference: Beilstein:1910407
has_related_synonym: C9H11NO2
database_cross_reference: CAS:150-30-1
has_alternative_id: CHEBI:25984
id: CHEBI:28044
has_alternative_id: CHEBI:8089
has_related_synonym: COLNVLDHVKWLRT-UHFFFAOYSA-N
has_related_synonym: DL-Phenylalanine
has_related_synonym: F
database_cross_reference: Gmelin:50836
has_related_synonym: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
database_cross_reference: KEGG:C02057
has_related_synonym: NC(Cc1ccccc1)C(O)=O
has_related_synonym: PHE
database_cross_reference: PMID:17439666
database_cross_reference: PMID:22264337
has_related_synonym: Phenylalanin
has_exact_synonym: Phenylalanine
database_cross_reference: Reaxys:1910407
database_cross_reference: Wikipedia:Phenylalanine
has_related_synonym: alpha-Amino-beta-phenylpropionic acid
has_obo_namespace: chebi_ontology
has_related_synonym: fenilalanina
has_exact_synonym: phenylalanine
imported from: chebi.owl

o-xylene
type: Class
subclass of: xylene
has_related_synonym: 1,2-Dimethylbenzol
has_related_synonym: 1,2-dimethylbenzene
has_exact_synonym: 1,2-xylene
has_related_synonym: 106.16500
has_related_synonym: 2-xylene
has_related_synonym: 3,4-xylene
definition: A xylene substituted by methyl groups at positions 1 and 3.
database_cross_reference: Beilstein:1815558
has_related_synonym: C8H10
database_cross_reference: CAS:95-47-6
has_alternative_id: CHEBI:10611
has_alternative_id: CHEBI:25623
id: CHEBI:28063
has_alternative_id: CHEBI:44697
has_related_synonym: CTQNGGLPUBDAKN-UHFFFAOYSA-N
has_related_synonym: Cc1ccccc1C
database_cross_reference: DrugBank:DB03029
database_cross_reference: Gmelin:67796
database_cross_reference: HMDB:HMDB59851
has_related_synonym: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
database_cross_reference: KEGG:C07212
database_cross_reference: MetaCyc:CPD-1421
has_related_synonym: ORTHO-XYLENE
database_cross_reference: PDBeChem:OXE
database_cross_reference: PMID:22960059
database_cross_reference: PMID:24246944
database_cross_reference: Reaxys:1815558
database_cross_reference: UM-BBD_compID:c0248
database_cross_reference: Wikipedia:O-Xylene
has_obo_namespace: chebi_ontology
has_related_synonym: o-Dimethylbenzene
has_related_synonym: o-Methyltoluene
has_exact_synonym: o-Xylene
has_related_synonym: o-Xylol
imported from: chebi.owl

gentiobiose
type: Class
subclass of: glycosylglucose
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 342.29648
has_related_synonym: 6-O-beta-D-glucopyranosyl-D-glucopyranose
has_related_synonym: 6-O-beta-D-glucopyranosyl-D-glucose
definition: A glycosylglucose consisting of two D-glucopyranose units connected by a beta-(1->6)-linkage.
has_related_synonym: C12H22O11
database_cross_reference: CAS:554-91-6
has_alternative_id: CHEBI:24214
id: CHEBI:28066
has_alternative_id: CHEBI:5318
has_alternative_id: CHEBI:60806
has_related_synonym: D-Glc(beta1->6)D-Glc
has_related_synonym: DLRVVLDZNNYCBX-CQUJWQHSSA-N
has_exact_synonym: Gentiobiose
has_related_synonym: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12-/m1/s1
database_cross_reference: KEGG:C08240
database_cross_reference: PMID:24274485
database_cross_reference: PMID:24338885
database_cross_reference: PMID:4640505
database_cross_reference: PMID:7536675
database_cross_reference: Reaxys:4875396
database_cross_reference: Wikipedia:Gentiobiose
has_related_synonym: beta-D-Glc-(1->6)-D-Glc
has_related_synonym: beta-D-Glcp-(1->6)-D-Glcp
has_exact_synonym: beta-D-glucopyranosyl-(1->6)-D-glucopyranose
has_related_synonym: beta-D-glucopyranosyl-(1->6)-D-glucose
has_related_synonym: beta-D-glucosyl-(1->6)-D-glucose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

genistein
type: Class
subclass of: 7-hydroxyisoflavones
subclass of: Restriction
  on property: is conjugate acid of
  some values from: genistein(1-)
subclass of: Restriction
  on property: has role
  some values from: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
subclass of: Restriction
  on property: has role
  some values from: tyrosine kinase inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: phytoestrogen
has_related_synonym: 270.23690
has_related_synonym: 4',5,7-trihydroxyisoflavone
has_related_synonym: 5,7,4'-Trihydroxyisoflavone
has_related_synonym: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
has_exact_synonym: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
definition: 7-Hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties.
database_cross_reference: Beilstein:263823
has_related_synonym: C15H10O5
database_cross_reference: CAS:446-72-0
has_alternative_id: CHEBI:24204
id: CHEBI:28088
has_alternative_id: CHEBI:42763
has_alternative_id: CHEBI:5302
database_cross_reference: DrugBank:DB01645
has_exact_synonym: GENISTEIN
has_exact_synonym: Genistein
has_related_synonym: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
database_cross_reference: KEGG:C06563
database_cross_reference: KNApSAcK:C00002526
database_cross_reference: LINCS:LSM-5549
database_cross_reference: MetaCyc:CPD-3141
has_related_synonym: Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
database_cross_reference: PDBeChem:GEN
database_cross_reference: PMID:10741415
database_cross_reference: PMID:11564287
database_cross_reference: PMID:18413741
database_cross_reference: PMID:18490856
database_cross_reference: PMID:18815740
database_cross_reference: PMID:19107852
database_cross_reference: PMID:19402570
database_cross_reference: PMID:22303062
database_cross_reference: PMID:24297371
database_cross_reference: PMID:24379139
has_related_synonym: Prunetol
database_cross_reference: Reaxys:263823
has_related_synonym: Sophoricol
has_related_synonym: TZBJGXHYKVUXJN-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Genistein
has_obo_namespace: chebi_ontology
imported from: chebi.owl

borneol
type: Class
subclass of: bornane monoterpenoid
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
has_related_synonym: 154.24932
definition: A bornane monoterpenoid that is 1,7,7-trimethylbicyclo[2.2.1]heptane substituted by a hydroxy group at position 2.
database_cross_reference: Beilstein:1903042
has_related_synonym: Borneo camphor
has_exact_synonym: Borneol
has_related_synonym: C10H18O
database_cross_reference: CAS:507-70-0
has_related_synonym: CC1(C)C2CCC1(C)C(O)C2
has_alternative_id: CHEBI:22913
id: CHEBI:28093
has_alternative_id: CHEBI:3150
has_related_synonym: DTGKSKDOIYIVQL-UHFFFAOYSA-N
database_cross_reference: Gmelin:185292
has_related_synonym: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
database_cross_reference: KEGG:C01411
database_cross_reference: KNApSAcK:C00003028
has_related_synonym: Sumatra camphor
has_related_synonym: bornyl alcohol
has_obo_namespace: chebi_ontology
has_related_synonym: endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
has_related_synonym: endo-2-bornanol
has_related_synonym: endo-2-camphanol
has_related_synonym: endo-2-hydroxycamphane
imported from: chebi.owl

benzamide
type: Class
subclass of: benzamides
has_related_synonym: 121.13662
definition: An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.
database_cross_reference: Beilstein:385876
has_exact_synonym: Benzamide
has_related_synonym: Benzenecarboxamide
has_related_synonym: Benzoic acid amide
has_related_synonym: Benzoylamide
has_related_synonym: C7H7NO
database_cross_reference: CAS:55-21-0
has_alternative_id: CHEBI:22701
id: CHEBI:28179
has_alternative_id: CHEBI:3021
has_alternative_id: CHEBI:46351
database_cross_reference: HMDB:HMDB04461
has_related_synonym: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
database_cross_reference: KEGG:C09815
has_related_synonym: KXDAEFPNCMNJSK-UHFFFAOYSA-N
has_related_synonym: NC(=O)c1ccccc1
database_cross_reference: PMID:20133863
has_related_synonym: PhC(=O)NH2
has_related_synonym: PhC(O)NH2
has_related_synonym: Phenylcarboxamide
has_related_synonym: Phenylcarboxyamide
database_cross_reference: Reaxys:385876
database_cross_reference: UM-BBD_compID:c0368
database_cross_reference: Wikipedia:Benzamide
has_exact_synonym: benzamide
has_obo_namespace: chebi_ontology
imported from: chebi.owl

daidzein
type: Class
subclass of: 7-hydroxyisoflavones
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: phytoestrogen
subclass of: Restriction
  on property: is conjugate acid of
  some values from: daidzein(1-)
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 3.2.1.20 (alpha-glucosidase) inhibitor
has_related_synonym: 254.23750
has_related_synonym: 4',7-dihydroxyisoflavone
has_related_synonym: 7,4'-dihydroxyisoflavone
has_related_synonym: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
has_related_synonym: 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
has_exact_synonym: 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
definition: A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'.
database_cross_reference: Beilstein:231523
has_related_synonym: C15H10O4
database_cross_reference: CAS:486-66-8
has_alternative_id: CHEBI:23558
id: CHEBI:28197
has_alternative_id: CHEBI:4306
has_exact_synonym: Daidzein
database_cross_reference: HMDB:HMDB03312
has_related_synonym: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
database_cross_reference: KEGG:C10208
database_cross_reference: KNApSAcK:C00009380
database_cross_reference: LINCS:LSM-2935
database_cross_reference: LIPID_MAPS_instance:LMPK12050038
database_cross_reference: MetaCyc:DAIDZEIN
has_related_synonym: Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
database_cross_reference: PMID:11193416
database_cross_reference: PMID:16802696
database_cross_reference: PMID:23267126
database_cross_reference: PMID:23337939
database_cross_reference: PMID:23342971
database_cross_reference: PMID:23439294
database_cross_reference: PMID:9544566
database_cross_reference: Reaxys:231523
database_cross_reference: Wikipedia:Daidzein
has_related_synonym: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: daidzeol
has_related_synonym: isoaurostatin
imported from: chebi.owl

hesperetin
type: Class
subclass of: monomethoxyflavanone
subclass of: trihydroxyflavanone
subclass of: 3'-hydroxyflavanones
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hesperetin(1-)
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: (-)-(S)-hesperetin
has_related_synonym: (-)-hesperetin
has_exact_synonym: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
has_related_synonym: (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
has_related_synonym: 3',5,7-Trihydroxy-4'-methoxyflavanone
has_related_synonym: 302.27880
definition: A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
has_related_synonym: AIONOLUJZLIMTK-AWEZNQCLSA-N
database_cross_reference: Beilstein:92705
has_related_synonym: C16H14O6
database_cross_reference: CAS:520-33-2
has_alternative_id: CHEBI:24529
id: CHEBI:28230
has_alternative_id: CHEBI:5681
database_cross_reference: DrugBank:DB01094
database_cross_reference: HMDB:HMDB05782
has_exact_synonym: Hesperetin
has_related_synonym: InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
database_cross_reference: KEGG:C01709
database_cross_reference: KNApSAcK:C00000968
database_cross_reference: LINCS:LSM-20933
database_cross_reference: LIPID_MAPS_instance:LMPK12140003
database_cross_reference: MetaCyc:CPD-7072
database_cross_reference: PMID:16964766
database_cross_reference: PMID:22409373
database_cross_reference: PMID:22794525
database_cross_reference: PMID:22899565
database_cross_reference: PMID:22903244
database_cross_reference: Reaxys:92705
database_cross_reference: Wikipedia:Hesperetin
has_obo_namespace: chebi_ontology
has_exact_synonym: hesperetin
imported from: chebi.owl

vomifoliol
type: Class
subclass of: fenchane monoterpenoid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (+/-)-6-Hydroxy-3-oxo-alpha-ionol
has_related_synonym: (+/-)-6-hydroxy-3-oxo-alpha-ionol
has_related_synonym: 224.29610
has_exact_synonym: 4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
definition: A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4.
database_cross_reference: Beilstein:2331902
has_related_synonym: C13H20O3
has_related_synonym: CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
has_alternative_id: CHEBI:11087
has_alternative_id: CHEBI:18464
id: CHEBI:28258
has_alternative_id: CHEBI:69
has_related_synonym: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+
database_cross_reference: KEGG:C04166
has_related_synonym: KPQMCAKZRXOZLB-AATRIKPKSA-N
database_cross_reference: PMID:24436000
database_cross_reference: PMID:24949478
database_cross_reference: PMID:25282893
database_cross_reference: PMID:25918779
database_cross_reference: Reaxys:2331902
has_exact_synonym: Vomifoliol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

galactose
type: Class
subclass of: aldohexose
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
definition: An aldohexose that is the C-4 epimer of glucose.
has_related_synonym: C6H12O6
database_cross_reference: CAS:26566-61-0
has_alternative_id: CHEBI:24162
id: CHEBI:28260
has_alternative_id: CHEBI:33933
has_alternative_id: CHEBI:5256
has_related_synonym: Gal
has_exact_synonym: Galactose
has_related_synonym: Galaktose
database_cross_reference: KEGG:C01582
database_cross_reference: Wikipedia:Galactose
has_obo_namespace: chebi_ontology
has_exact_synonym: galacto-hexose
has_exact_synonym: galactose
imported from: chebi.owl

rac-lactic acid
type: Class
subclass of: racemate
subclass of: Restriction
  on property: has part
  some values from: (R)-lactic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: lactate
subclass of: Restriction
  on property: has role
  some values from: food acidity regulator
subclass of: Restriction
  on property: has part
  some values from: (S)-lactic acid
has_related_synonym: (+-)-2-hydroxypropanoic acid
has_related_synonym: 2-Hydroxypropanoic acid
has_related_synonym: 2-Hydroxypropionic acid
definition: A racemate comprising equimolar amounts of (R)- and (S)-lactic acid.
database_cross_reference: Beilstein:1209341
has_related_synonym: C3H6O3
database_cross_reference: CAS:50-21-5
has_alternative_id: CHEBI:24998
id: CHEBI:28358
has_alternative_id: CHEBI:6351
database_cross_reference: DrugBank:DB04398
has_related_synonym: E270
database_cross_reference: KEGG:C01432
database_cross_reference: KEGG:D00111
database_cross_reference: LIPID_MAPS_instance:LMFA01050002
has_related_synonym: Lactic acid
has_related_synonym: Milchsaeure
database_cross_reference: PMID:17190852
database_cross_reference: Reaxys:1209341
database_cross_reference: Wikipedia:Lactic_acid
has_related_synonym: alpha-hydroxypropanoic acid
has_related_synonym: alpha-hydroxypropionic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: rac-2-hydroxypropanoic acid
imported from: chebi.owl

alpha,omega-dicarboxylic acid
type: Class
subclass of: dicarboxylic acid
has_alternative_id: CHEBI:10197
has_alternative_id: CHEBI:13780
has_alternative_id: CHEBI:22361
id: CHEBI:28383
database_cross_reference: KEGG:C04025
has_related_synonym: alpha(omega)-Dicarboxylic acid
has_exact_synonym: alpha,omega-Dicarboxylic acid
has_related_synonym: alpha,omega-dicarboxylic acids
has_related_synonym: alphaomega-dicarboxylic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triacontan-1-ol
type: Class
subclass of: long-chain primary fatty alcohol
subclass of: fatty alcohol 30:0
has_related_synonym: 1-Triacontanol
has_related_synonym: 438.81270
definition: A fatty alcohol 30:0 that has formula C30H62O.
database_cross_reference: Beilstein:1711965
has_related_synonym: C30H62O
database_cross_reference: CAS:593-50-0
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
has_alternative_id: CHEBI:27089
id: CHEBI:28409
has_alternative_id: CHEBI:9663
database_cross_reference: KEGG:C08392
database_cross_reference: KNApSAcK:C00001269
database_cross_reference: LIPID_MAPS_instance:LMFA05000006
has_related_synonym: Myricyl alcohol
has_related_synonym: REZQBEBOWJAQKS-UHFFFAOYSA-N
has_exact_synonym: Triacontan-1-ol
has_obo_namespace: chebi_ontology
has_related_synonym: melissyl alcohol
has_related_synonym: n-triacontanol
has_exact_synonym: triacontan-1-ol
has_related_synonym: triacontyl alcohol
imported from: chebi.owl

eriodictyol
type: Class
subclass of: tetrahydroxyflavanone
subclass of: 3'-hydroxyflavanones
has_exact_synonym: (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
has_related_synonym: (S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone
has_related_synonym: 288.25220
definition: A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.
database_cross_reference: Beilstein:92358
has_related_synonym: C15H12O6
database_cross_reference: CAS:552-58-9
has_alternative_id: CHEBI:23945
id: CHEBI:28412
has_alternative_id: CHEBI:4832
has_alternative_id: CHEBI:49606
has_related_synonym: Eriodictiol
has_exact_synonym: Eriodictyol
has_related_synonym: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
database_cross_reference: KEGG:C05631
database_cross_reference: KNApSAcK:C00000960
database_cross_reference: LIPID_MAPS_instance:LMPK12140002
database_cross_reference: LIPID_MAPS_instance:LMPK12140432
has_related_synonym: SBHXYTNGIZCORC-ZDUSSCGKSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-carotene
type: Class
subclass of: cyclic carotene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: provitamin A
has_related_synonym: 536.87264
definition: A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively.
has_related_synonym: ANVAOWXLWRTKGA-JLTXGRSLSA-N
database_cross_reference: Beilstein:2067408
database_cross_reference: Beilstein:3227599
has_related_synonym: C40H56
database_cross_reference: CAS:432-70-2
has_related_synonym: CC(\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
has_alternative_id: CHEBI:10215
has_alternative_id: CHEBI:22447
id: CHEBI:28425
database_cross_reference: HMDB:HMDB03993
database_cross_reference: KEGG:C05433
database_cross_reference: KNApSAcK:C00003765
database_cross_reference: LIPID_MAPS_instance:LMPR01070258
database_cross_reference: PMID:23620017
database_cross_reference: PMID:24169341
database_cross_reference: PMID:9408998
database_cross_reference: Reaxys:2682045
has_related_synonym: all-trans-alpha-carotene
has_exact_synonym: alpha-Carotene
has_exact_synonym: alpha-carotene
has_exact_synonym: beta,epsilon-carotene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

isovaleric acid
type: Class
subclass of: methylbutyric acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: isovalerate
subclass of: Restriction
  on property: has role
  some values from: mammalian metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 102.13170
has_related_synonym: 3-Methylbutanoic acid
has_related_synonym: 3-Methylbuttersaeure
has_related_synonym: 3-methyl-n-butyric acid
has_exact_synonym: 3-methylbutanoic acid
has_related_synonym: 3-methylbutyric acid
definition: A C5, branched-chain saturated fatty acid.
database_cross_reference: Beilstein:1098522
has_related_synonym: C5H10O2
database_cross_reference: CAS:503-74-2
has_related_synonym: CC(C)CC(O)=O
has_alternative_id: CHEBI:24930
id: CHEBI:28484
has_alternative_id: CHEBI:43426
has_alternative_id: CHEBI:6069
database_cross_reference: DrugBank:DB03750
has_related_synonym: GWYFCOCPABKNJV-UHFFFAOYSA-N
database_cross_reference: Gmelin:101117
has_exact_synonym: ISOVALERIC ACID
has_related_synonym: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
has_related_synonym: Isovalerate
has_related_synonym: Isovaleriansaeure
has_exact_synonym: Isovaleric acid
database_cross_reference: KEGG:C08262
database_cross_reference: KNApSAcK:C00001189
database_cross_reference: LIPID_MAPS_instance:LMFA01020181
database_cross_reference: PDBeChem:IVA
database_cross_reference: PMID:12743728
has_related_synonym: beta-methylbutyric acid
has_obo_namespace: chebi_ontology
has_related_synonym: delphinic acid
has_related_synonym: isobutylformic acid
has_related_synonym: isopentanoic acid
has_related_synonym: isopropylacetic acid
has_related_synonym: isovalerianic acid
imported from: chebi.owl

kaempferol
type: Class
subclass of: tetrahydroxyflavone
subclass of: 7-hydroxyflavonol
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: human urinary metabolite
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: is conjugate acid of
  some values from: kaempferol oxoanion
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human blood serum metabolite
has_related_synonym: 286.23630
has_related_synonym: 3,4',5,7-Tetrahydroxyflavone
has_exact_synonym: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
has_related_synonym: 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol
has_related_synonym: 5,7,4'-trihydroxyflavonol
definition: A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3, 5, 7 and 4'.
database_cross_reference: Beilstein:304401
has_related_synonym: C.I. 75640
has_related_synonym: C15H10O6
database_cross_reference: CAS:520-18-3
has_alternative_id: CHEBI:24944
id: CHEBI:28499
has_alternative_id: CHEBI:43598
has_alternative_id: CHEBI:6100
database_cross_reference: DrugBank:DB01852
database_cross_reference: HMDB:HMDB05801
has_related_synonym: IYRMWMYZSQPJKC-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
has_related_synonym: Indigo yellow
database_cross_reference: KEGG:C05903
database_cross_reference: KNApSAcK:C00004565
has_exact_synonym: Kaempferol
has_related_synonym: Kaempherol
has_related_synonym: Kampherol
has_related_synonym: Kempferol
database_cross_reference: LINCS:LSM-5304
database_cross_reference: LIPID_MAPS_instance:LMPK12110003
database_cross_reference: MetaCyc:CPD1F-90
has_related_synonym: Nimbecetin
has_related_synonym: Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
database_cross_reference: PDBeChem:KMP
database_cross_reference: PMID:12592675
database_cross_reference: PMID:15234754
database_cross_reference: PMID:17426744
has_related_synonym: Pelargidenolon
has_related_synonym: Populnetin
database_cross_reference: Reaxys:304401
has_related_synonym: Rhamnolutein
has_related_synonym: Rhamnolutin
has_related_synonym: Robigenin
has_related_synonym: Swartziol
has_related_synonym: Trifolitin
database_cross_reference: Wikipedia:kaempferol
has_related_synonym: campherol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

rutin
type: Class
subclass of: rutinoside
subclass of: tetrahydroxyflavone
subclass of: disaccharide derivative
subclass of: quercetin O-glucoside
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
has_related_synonym: 3-Rhamnoglucosylquercetin
has_related_synonym: 3-Rutinosyl quercetin
has_related_synonym: 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
has_related_synonym: 610.51750
definition: A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups.
database_cross_reference: Beilstein:75455
has_related_synonym: C27H30O16
database_cross_reference: CAS:153-18-4
has_alternative_id: CHEBI:26585
id: CHEBI:28527
has_alternative_id: CHEBI:45398
has_alternative_id: CHEBI:8923
database_cross_reference: DrugBank:DB01698
database_cross_reference: HMDB:HMDB03249
has_related_synonym: IKGXIBQEEMLURG-NVPNHPEKSA-N
has_related_synonym: InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
database_cross_reference: KEGG:C05625
database_cross_reference: KEGG:D00190
database_cross_reference: KEGG:D08499
database_cross_reference: KNApSAcK:C00005413
database_cross_reference: LINCS:LSM-2457
database_cross_reference: MetaCyc:RUTIN
database_cross_reference: PMID:15601236
database_cross_reference: PMID:20701244
has_related_synonym: Phytomelin
has_related_synonym: Quercetin 3-rutinoside
has_related_synonym: Quercetin-3-rutinoside
database_cross_reference: Reaxys:75455
has_exact_synonym: Rutin
has_related_synonym: Rutoside
database_cross_reference: Wikipedia:Rutin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

guaiacol
type: Class
subclass of: monomethoxybenzene
subclass of: phenols
subclass of: Restriction
  on property: has role
  some values from: EC 1.1.1.25 (shikimate dehydrogenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: catechol
subclass of: Restriction
  on property: has role
  some values from: disinfectant
subclass of: Restriction
  on property: has role
  some values from: expectorant
has_related_synonym: 1-Hydroxy-2-methoxybenzene
has_related_synonym: 124.13722
has_related_synonym: 2-Hydroxyanisole
has_exact_synonym: 2-methoxyphenol
has_related_synonym: 2-methoxyphenol
definition: A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.
has_related_synonym: C7H8O2
database_cross_reference: CAS:90-05-1
has_alternative_id: CHEBI:24434
id: CHEBI:28591
has_alternative_id: CHEBI:5549
has_related_synonym: COc1ccccc1O
has_related_synonym: Catechol monomethyl ether
has_exact_synonym: Guaiacol
database_cross_reference: HMDB:HMDB01398
has_related_synonym: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
database_cross_reference: KEGG:C01502
database_cross_reference: KEGG:C15572
database_cross_reference: KEGG:D00117
database_cross_reference: KNApSAcK:C00002654
database_cross_reference: KNApSAcK:C00029459
has_related_synonym: LHGVFZTZFXWLCP-UHFFFAOYSA-N
database_cross_reference: LINCS:LSM-6001
database_cross_reference: MetaCyc:CPD-400
database_cross_reference: PDBeChem:JZ3
database_cross_reference: PMID:22103597
database_cross_reference: PMID:23587706
database_cross_reference: PMID:24295708
database_cross_reference: Patent:RU94026717
database_cross_reference: Reaxys:508112
database_cross_reference: Wikipedia:Guaiacol
has_obo_namespace: chebi_ontology
has_related_synonym: o-Methoxyphenol
imported from: chebi.owl

carbamic acid
type: Class
subclass of: organonitrogen compound
subclass of: carbon oxoacid
subclass of: one-carbon compound
subclass of: Restriction
  on property: is conjugate acid of
  some values from: carbamate
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_related_synonym: 61.04006
definition: A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.
has_related_synonym: Aminoameisensaeure
has_related_synonym: Aminoformic acid
database_cross_reference: Beilstein:1734754
has_exact_synonym: CARBAMIC ACID
database_cross_reference: CAS:463-77-4
has_related_synonym: CH3NO2
has_alternative_id: CHEBI:22504
has_alternative_id: CHEBI:23002
id: CHEBI:28616
has_alternative_id: CHEBI:3386
has_alternative_id: CHEBI:44573
has_related_synonym: Carbamate
has_exact_synonym: Carbamic acid
has_related_synonym: Carbamidsaeure
database_cross_reference: DrugBank:DB04261
database_cross_reference: Gmelin:130345
has_related_synonym: InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
database_cross_reference: KEGG:C01563
has_related_synonym: KXDHJXZQYSOELW-UHFFFAOYSA-N
has_related_synonym: NC(O)=O
database_cross_reference: PDBeChem:OUT
database_cross_reference: Wikipedia:Carbamic_acid
has_exact_synonym: carbamic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

campesterol
type: Class
subclass of: phytosterols
subclass of: 3beta-sterol
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: campestane
has_related_synonym: (24R)ergost-5-en-3beta-ol
has_related_synonym: 400.68012
definition: A phytosterol that has formula C28H48O.
has_related_synonym: C28H48O
database_cross_reference: CAS:474-62-4
has_alternative_id: CHEBI:22994
id: CHEBI:28623
has_alternative_id: CHEBI:3342
has_exact_synonym: Campesterol
has_related_synonym: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
database_cross_reference: KEGG:C01789
database_cross_reference: KNApSAcK:C00003647
database_cross_reference: LIPID_MAPS_instance:LMST01030097
has_related_synonym: SGNBVLSWZMBQTH-PODYLUTMSA-N
has_exact_synonym: campest-5-en-3beta-ol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phosphorus atom
type: Class
subclass of: nonmetal atom
subclass of: pnictogen
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 15P
has_related_synonym: 30.97376
definition: A pnictogen that has formula P.
database_cross_reference: CAS:7723-14-0
has_alternative_id: CHEBI:26080
id: CHEBI:28659
has_alternative_id: CHEBI:8168
database_cross_reference: Gmelin:16235
has_related_synonym: InChI=1S/P
database_cross_reference: KEGG:C06262
has_related_synonym: OAICVXFJPJFONN-UHFFFAOYSA-N
has_related_synonym: P
has_related_synonym: Phosphor
has_related_synonym: Phosphorus
database_cross_reference: WebElements:P
has_related_synonym: [P]
has_obo_namespace: chebi_ontology
has_related_synonym: fosforo
has_related_synonym: phosphore
has_exact_synonym: phosphorus
has_related_synonym: phosphorus
imported from: chebi.owl

molybdenum atom
type: Class
subclass of: chromium group element atom
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 42Mo
has_related_synonym: 95.94000
definition: A chromium group element atom that has formula Mo.
database_cross_reference: CAS:7439-98-7
has_alternative_id: CHEBI:25369
id: CHEBI:28685
has_alternative_id: CHEBI:49750
has_alternative_id: CHEBI:6968
database_cross_reference: Gmelin:16205
has_related_synonym: InChI=1S/Mo
database_cross_reference: KEGG:C00150
has_related_synonym: Mo
has_related_synonym: Molybdaen
has_related_synonym: Molybdenum
database_cross_reference: WebElements:Mo
has_related_synonym: ZOKXTWBITQBERF-UHFFFAOYSA-N
has_related_synonym: [Mo]
has_obo_namespace: chebi_ontology
has_related_synonym: molibdeno
has_related_synonym: molybdene
has_related_synonym: molybdenum
has_exact_synonym: molybdenum
imported from: chebi.owl

copper atom
type: Class
subclass of: copper group element atom
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: micronutrient
has_related_synonym: 29Cu
has_related_synonym: 63.54600
definition: A copper group element atom that has formula Cu.
database_cross_reference: CAS:7440-50-8
has_alternative_id: CHEBI:23376
id: CHEBI:28694
has_alternative_id: CHEBI:3874
has_related_synonym: Copper
has_related_synonym: Cu
database_cross_reference: Gmelin:16269
has_related_synonym: InChI=1S/Cu
database_cross_reference: KEGG:C00070
has_related_synonym: Kupfer
has_related_synonym: RYGMFSIKBFXOCR-UHFFFAOYSA-N
database_cross_reference: WebElements:Cu
has_related_synonym: [Cu]
has_obo_namespace: chebi_ontology
has_related_synonym: cobre
has_exact_synonym: copper
has_related_synonym: copper
has_related_synonym: cuivre
has_related_synonym: cuprum
imported from: chebi.owl

liquiritigenin
type: Class
subclass of: dihydroxyflavanone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: hormone agonist
has_related_synonym: (-)-liquiritigenin
has_related_synonym: (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
has_exact_synonym: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
has_related_synonym: (2S)-liquiritigenin
has_related_synonym: 256.25340
has_related_synonym: 4',7-Dihydroxyflavanone
has_related_synonym: 7,4'-Dihydroxyflavanone
has_related_synonym: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
definition: A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta.
database_cross_reference: Beilstein:3593780
has_related_synonym: C15H12O4
database_cross_reference: CAS:578-86-9
has_alternative_id: CHEBI:25065
id: CHEBI:28777
has_alternative_id: CHEBI:42001
has_alternative_id: CHEBI:6501
has_related_synonym: FURUXTVZLHCCNA-AWEZNQCLSA-N
database_cross_reference: HMDB:HMDB29519
has_related_synonym: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
database_cross_reference: KEGG:C09762
database_cross_reference: KNApSAcK:C00000977
database_cross_reference: LIPID_MAPS_instance:LMPK12140061
has_exact_synonym: Liquiritigenin
has_related_synonym: Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1
database_cross_reference: PDBeChem:DFV
database_cross_reference: PMID:17950610
database_cross_reference: PMID:18177995
database_cross_reference: PMID:21866899
database_cross_reference: Reaxys:3593780
database_cross_reference: Wikipedia:Liquiritigenin
has_obo_namespace: chebi_ontology
has_exact_synonym: liquiritigenin
imported from: chebi.owl

coumarin
type: Class
subclass of: coumarins
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: fluorescent dye
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1,2-Benzopyrone
has_related_synonym: 146.14270
has_related_synonym: 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone
has_related_synonym: 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone
has_related_synonym: 2H-1-Benzopyran-2-one
has_related_synonym: 2H-benzo[b]pyran-2-one
has_exact_synonym: 2H-chromen-2-one
has_related_synonym: 5,6-Benzo-2-pyrone
definition: A chromenone having the keto group located at the 2-position.
database_cross_reference: Beilstein:383644
has_related_synonym: Benzo-a-pyrone
has_related_synonym: Benzo-alpha-pyrone
has_related_synonym: C9H6O2
database_cross_reference: CAS:91-64-5
has_alternative_id: CHEBI:101256
has_alternative_id: CHEBI:23402
id: CHEBI:28794
has_alternative_id: CHEBI:3906
has_alternative_id: CHEBI:41552
has_related_synonym: Coumarine
has_related_synonym: Coumarinic anhydride
has_related_synonym: Cumarin
database_cross_reference: DrugBank:DB04665
database_cross_reference: Gmelin:165222
database_cross_reference: HMDB:HMDB01218
has_related_synonym: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
database_cross_reference: KEGG:C05851
database_cross_reference: KEGG:D07751
database_cross_reference: KNApSAcK:C00002460
database_cross_reference: LINCS:LSM-2519
database_cross_reference: MetaCyc:COUMARIN
has_related_synonym: O=c1ccc2ccccc2o1
database_cross_reference: PMID:17988284
database_cross_reference: PMID:19025869
database_cross_reference: PMID:21046436
database_cross_reference: PMID:21462332
database_cross_reference: PMID:21798343
database_cross_reference: PMID:8735869
has_related_synonym: Rattex
database_cross_reference: Reaxys:383644
has_related_synonym: Tonka bean camphor
database_cross_reference: Wikipedia:Coumarin
has_related_synonym: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: cis-o-Coumarinic acid lactone
has_related_synonym: o-Hydroxycinnamic acid lactone
has_related_synonym: o-hydroxycinnamic acid delta-lactone
imported from: chebi.owl

flavonols
type: Class
subclass of: hydroxyflavone
subclass of: Restriction
  on property: is conjugate acid of
  some values from: flavonol oxoanion
has_related_synonym: 229.16660
has_related_synonym: 3-hydroxyflavones
definition: Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group.
has_related_synonym: C15HO3R9
has_alternative_id: CHEBI:13639
has_alternative_id: CHEBI:24052
id: CHEBI:28802
has_alternative_id: CHEBI:71969
database_cross_reference: MetaCyc:Flavonols
has_related_synonym: Oc1c(oc2c([*])c([*])c([*])c([*])c2c1=O)-c1c([*])c([*])c([*])c([*])c1[*]
database_cross_reference: Wikipedia:Flavonol
has_related_synonym: a flavonol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sinapyl alcohol
type: Class
subclass of: primary alcohol
subclass of: phenols
subclass of: dimethoxybenzene
subclass of: Restriction
  on property: has functional parent
  some values from: cinnamyl alcohol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 210.22650
has_exact_synonym: 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol
definition: A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5.
database_cross_reference: Beilstein:3084125
has_related_synonym: C11H14O4
database_cross_reference: CAS:537-33-7
has_alternative_id: CHEBI:26683
id: CHEBI:28813
has_alternative_id: CHEBI:9158
has_related_synonym: COc1cc(C=CCO)cc(OC)c1O
has_related_synonym: InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3
database_cross_reference: KEGG:C02325
has_related_synonym: LZFOPEXOUVTGJS-UHFFFAOYSA-N
database_cross_reference: PMID:22794913
database_cross_reference: PMID:23398235
database_cross_reference: PMID:24667164
database_cross_reference: Reaxys:3084125
has_related_synonym: Sinapic alcohol
has_related_synonym: Sinapoyl alcohol
has_exact_synonym: Sinapyl alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

dodecane
type: Class
subclass of: alkane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 170.33484
definition: A straight-chain alkane with 12 carbon atoms. It has been form the essential oils of various plants including Zingiber officinale (ginger).
database_cross_reference: Beilstein:1697175
has_related_synonym: Bihexyl
has_related_synonym: C12H26
database_cross_reference: CAS:112-40-3
has_related_synonym: CCCCCCCCCCCC
has_related_synonym: CH3-[CH2]10-CH3
has_alternative_id: CHEBI:25464
id: CHEBI:28817
has_alternative_id: CHEBI:41713
has_alternative_id: CHEBI:4675
has_exact_synonym: DODECANE
has_related_synonym: Dihexyl
has_exact_synonym: Dodecane
has_related_synonym: Dodekan
database_cross_reference: DrugBank:DB02771
database_cross_reference: Gmelin:201408
database_cross_reference: HMDB:HMDB31444
has_related_synonym: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
database_cross_reference: KEGG:C08374
database_cross_reference: KNApSAcK:C00001248
database_cross_reference: LIPID_MAPS_instance:LMFA11000004
database_cross_reference: MetaCyc:CPD-9290
database_cross_reference: PDBeChem:D12
database_cross_reference: PMID:24493301
database_cross_reference: Reaxys:1697175
has_related_synonym: SNRUBQQJIBEYMU-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Dodecane
has_obo_namespace: chebi_ontology
has_exact_synonym: dodecane
has_related_synonym: n-Dodecane
imported from: chebi.owl

naringin
type: Class
subclass of: neohesperidoside
subclass of: dihydroxyflavanone
subclass of: disaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has functional parent
  some values from: (S)-naringenin
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
has_related_synonym: 580.53460
definition: A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
database_cross_reference: Beilstein:102012
has_related_synonym: C27H32O14
database_cross_reference: CAS:10236-47-2
has_alternative_id: CHEBI:25486
id: CHEBI:28819
has_alternative_id: CHEBI:545774
has_alternative_id: CHEBI:566122
has_alternative_id: CHEBI:7485
has_related_synonym: DFPMSGMNTNDNHN-ZPHOTFPESA-N
database_cross_reference: HMDB:HMDB02927
has_related_synonym: InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
database_cross_reference: KEGG:C09789
database_cross_reference: KNApSAcK:C00000983
database_cross_reference: LINCS:LSM-2038
database_cross_reference: MetaCyc:NARINGIN
has_related_synonym: Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]
has_related_synonym: Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside
has_related_synonym: Naringenin 7-O-neohesperidoside
has_exact_synonym: Naringin
has_related_synonym: Naringoside
database_cross_reference: PMID:21636685
database_cross_reference: PMID:22847135
database_cross_reference: PMID:22965302
database_cross_reference: PMID:22985397
database_cross_reference: PMID:23111634
database_cross_reference: Reaxys:102012
database_cross_reference: Wikipedia:Naringin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

stigmasterol
type: Class
subclass of: stigmastane sterol
subclass of: phytosterols
subclass of: 3beta-sterol
subclass of: Restriction
  on property: has role
  some values from: vitamin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: stigmastane
has_exact_synonym: (22E)-stigmasta-5,22-dien-3beta-ol
has_related_synonym: (3beta,22E)-stigmasta-5,22-dien-3-ol
has_related_synonym: 412.69082
has_related_synonym: 5,22-Cholestadien-24-ethyl-3beta-ol
definition: A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions.
database_cross_reference: Beilstein:2568182
has_related_synonym: C29H48O
database_cross_reference: CAS:83-48-7
has_alternative_id: CHEBI:26774
id: CHEBI:28824
has_alternative_id: CHEBI:8195
has_related_synonym: HCXVJBMSMIARIN-PHZDYDNGSA-N
database_cross_reference: HMDB:HMDB00937
has_related_synonym: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
database_cross_reference: KEGG:C05442
database_cross_reference: KNApSAcK:C00003674
database_cross_reference: KNApSAcK:C00023774
database_cross_reference: LIPID_MAPS_instance:LMST01040123
database_cross_reference: PMID:13318319
database_cross_reference: PMID:13547565
database_cross_reference: Reaxys:2568182
has_exact_synonym: Stigmasterol
database_cross_reference: Wikipedia:Stigmasterol
has_related_synonym: beta-stigmasterol
has_obo_namespace: chebi_ontology
has_related_synonym: phytosterol
has_related_synonym: poriferasterol
has_related_synonym: stigmasta-5,22-dien-3beta-ol
has_exact_synonym: stigmasterol
imported from: chebi.owl

octanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: is conjugate acid of
  some values from: octanoate
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 1-heptanecarboxylic acid
has_related_synonym: 144.21140
has_related_synonym: 8:0
definition: A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.
has_related_synonym: Acide octanoique
has_related_synonym: Acido octanoico
has_related_synonym: Acidum octanocium
database_cross_reference: Beilstein:1747180
has_related_synonym: C8:0
has_related_synonym: C8H16O2
database_cross_reference: CAS:124-07-2
has_related_synonym: CCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]6-COOH
has_alternative_id: CHEBI:25648
id: CHEBI:28837
has_alternative_id: CHEBI:3373
has_alternative_id: CHEBI:44501
has_related_synonym: Caprylic acid
database_cross_reference: DrugBank:DB04519
database_cross_reference: Gmelin:142966
database_cross_reference: HMDB:HMDB00482
has_related_synonym: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
database_cross_reference: KEGG:C06423
database_cross_reference: KEGG:D05220
database_cross_reference: KNApSAcK:C00001231
has_related_synonym: Kaprylsaeure
database_cross_reference: LIPID_MAPS_instance:LMFA01010008
database_cross_reference: MetaCyc:CPD-195
has_related_synonym: OCTANOIC ACID (CAPRYLIC ACID)
has_exact_synonym: Octanoic acid
has_related_synonym: Octansaeure
has_related_synonym: Octylic acid
database_cross_reference: PDBeChem:OCA
database_cross_reference: PMID:16162522
database_cross_reference: PMID:16872526
database_cross_reference: PMID:19096058
database_cross_reference: Reaxys:1747180
has_related_synonym: WWZKQHOCKIZLMA-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Caprylic_acid
has_related_synonym: acide octanoique
has_related_synonym: acido octanoico
has_related_synonym: acidum octanoicum
has_obo_namespace: chebi_ontology
has_related_synonym: n-caprylic acid
has_related_synonym: n-octanoic acid
has_related_synonym: n-octoic acid
has_related_synonym: n-octylic acid
has_related_synonym: octanoic acid
has_exact_synonym: octanoic acid
has_related_synonym: octoic acid
imported from: chebi.owl

lutein
type: Class
subclass of: carotenol
subclass of: Restriction
  on property: has role
  some values from: food colouring
subclass of: Restriction
  on property: has parent hydride
  some values from: (6'R)-beta,epsilon-carotene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol
has_related_synonym: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
has_related_synonym: 568.87144
definition: A carotenol that has formula C40H56O2.
database_cross_reference: Beilstein:2068550
has_related_synonym: Bo-Xan
has_related_synonym: C40H56O2
database_cross_reference: CAS:127-40-2
has_alternative_id: CHEBI:27324
id: CHEBI:28838
has_alternative_id: CHEBI:43817
has_alternative_id: CHEBI:6576
database_cross_reference: DrugBank:DB00137
has_related_synonym: E 161b
database_cross_reference: HMDB:HMDB03233
has_related_synonym: KBPHJBAIARWVSC-RGZFRNHPSA-N
database_cross_reference: KEGG:C08601
database_cross_reference: KNApSAcK:C00003776
database_cross_reference: LIPID_MAPS_instance:LMPR01070274
has_exact_synonym: Lutein
database_cross_reference: MetaCyc:CPD1F-119
database_cross_reference: PDBeChem:LUT
database_cross_reference: PMID:10714278
database_cross_reference: PMID:14670087
database_cross_reference: PMID:23543147
database_cross_reference: PMID:24451312
database_cross_reference: Reaxys:2068550
database_cross_reference: Wikipedia:Lutein
has_related_synonym: Xanthophyll
has_obo_namespace: chebi_ontology
has_exact_synonym: lutein
imported from: chebi.owl

stearic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: has parent hydride
  some values from: octadecane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: stearate
has_related_synonym: 18:0
has_related_synonym: 284.478
definition: A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.
database_cross_reference: Beilstein:608585
has_related_synonym: C(CCCCCCCCCC)CCCCCCC(=O)O
has_related_synonym: C18:0
has_related_synonym: C18H36O2
database_cross_reference: CAS:57-11-4
has_related_synonym: CH3-[CH2]16-COOH
has_alternative_id: CHEBI:25631
id: CHEBI:28842
has_alternative_id: CHEBI:45710
database_cross_reference: DrugBank:DB03193
database_cross_reference: Gmelin:11738
database_cross_reference: HMDB:HMDB00827
has_related_synonym: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
database_cross_reference: KEGG:C01530
database_cross_reference: KEGG:D00119
database_cross_reference: KNApSAcK:C00001238
database_cross_reference: LIPID_MAPS_instance:LMFA01010018
database_cross_reference: MetaCyc:STEARIC_ACID
has_related_synonym: Octadecanoic acid
has_related_synonym: Octadecansaeure
has_related_synonym: Oktadekansaeure
database_cross_reference: PDBeChem:STE
database_cross_reference: PMID:11425337
database_cross_reference: PMID:16448636
database_cross_reference: PMID:17439666
database_cross_reference: PMID:18982377
database_cross_reference: PMID:19468063
database_cross_reference: PMID:19838949
database_cross_reference: PMID:22735334
database_cross_reference: PMID:26884207
database_cross_reference: PMID:7763343
has_related_synonym: QIQXTHQIDYTFRH-UHFFFAOYSA-N
database_cross_reference: Reaxys:608585
has_exact_synonym: STEARIC ACID
has_related_synonym: Stearate
has_related_synonym: Stearinsaeure
database_cross_reference: Wikipedia:Stearic_acid
has_related_synonym: acide octadecanoique
has_related_synonym: acide stearique
has_obo_namespace: chebi_ontology
has_related_synonym: n-octadecanoic acid
has_exact_synonym: octadecanoic acid
has_related_synonym: octadecoic acid
imported from: chebi.owl

(Z)-hex-3-en-1-ol
type: Class
subclass of: primary alcohol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: insect attractant
has_related_synonym: (3Z)-3-Hexen-1-ol
has_related_synonym: (3Z)-hex-3-en-1-ol
has_exact_synonym: (3Z)-hex-3-en-1-ol
has_related_synonym: 100.159
has_related_synonym: 3-Hexen-1-ol, (Z)-
definition: A primary alcohol that consists of (3Z)-hex-3-ene substituted by a hydroxy group at position 1.
has_related_synonym: Blatteralkohol
has_related_synonym: C6H12O
database_cross_reference: CAS:928-96-1
has_related_synonym: CC/C=C\CCO
has_alternative_id: CHEBI:20029
id: CHEBI:28857
has_alternative_id: CHEBI:6398
database_cross_reference: HMDB:HMDB30003
has_related_synonym: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
database_cross_reference: KEGG:C08492
database_cross_reference: KNApSAcK:C00000356
database_cross_reference: LIPID_MAPS_instance:LMFA05000059
has_related_synonym: Leaf alcohol
database_cross_reference: MetaCyc:CIS-3-HEXENOL
database_cross_reference: PMID:23678819
database_cross_reference: PMID:23749439
database_cross_reference: PMID:23923622
database_cross_reference: PMID:24301200
database_cross_reference: Reaxys:1719712
has_related_synonym: UFLHIIWVXFIJGU-ARJAWSKDSA-N
database_cross_reference: Wikipedia:Cis-3-Hexen-1-ol
has_obo_namespace: chebi_ontology
has_related_synonym: cis-3-Hexen-1-ol
imported from: chebi.owl

flavanones
type: Class
subclass of: flavans
subclass of: cyclic ketone
has_related_synonym: 2,3-dihydroflavones
has_related_synonym: 212.15930
has_related_synonym: C15O2R12
has_alternative_id: CHEBI:13636
has_alternative_id: CHEBI:24038
has_alternative_id: CHEBI:24054
id: CHEBI:28863
definition: Members of the class of flavans with a 3,4-dihydro-2-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives.
database_cross_reference: MetaCyc:FLAVANONES
database_cross_reference: Wikipedia:Flavanone
has_related_synonym: a flavanone
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetracosanoic acid
type: Class
subclass of: very long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: lignocerate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia tenebrosa metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: 368.63670
definition: A C24 straight-chain saturated fatty acid.
database_cross_reference: Beilstein:1728237
has_related_synonym: C24H48O2
database_cross_reference: CAS:557-59-5
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]22-COOH
has_alternative_id: CHEBI:25467
has_alternative_id: CHEBI:26892
id: CHEBI:28866
has_alternative_id: CHEBI:6458
database_cross_reference: Gmelin:107095
database_cross_reference: HMDB:HMDB02003
database_cross_reference: KEGG:C08320
database_cross_reference: KNApSAcK:C00001223
database_cross_reference: LIPID_MAPS_instance:LMFA01010024
has_related_synonym: Lignoceric acid
has_related_synonym: Lignozerinsaeure
database_cross_reference: MetaCyc:TETRACOSANOATE
database_cross_reference: PMID:21781003
database_cross_reference: PMID:23019902
database_cross_reference: PMID:23157011
database_cross_reference: PMID:23394615
database_cross_reference: PMID:23871298
database_cross_reference: PMID:24491713
database_cross_reference: PMID:3174658
has_related_synonym: QZZGJDVWLFXDLK-UHFFFAOYSA-N
database_cross_reference: Reaxys:1728237
has_exact_synonym: Tetracosanoic acid
has_related_synonym: Tetracosansaeure
database_cross_reference: Wikipedia:Lignoceric_acid
has_obo_namespace: chebi_ontology
has_related_synonym: n-tetracosanoic acid
has_related_synonym: tetracosanic acid
has_exact_synonym: tetracosanoic acid
has_related_synonym: tetracosoic acid
has_related_synonym: tetraeicosanoic acid
has_related_synonym: tetraicosanoic acid
imported from: chebi.owl

fatty acid anion
type: Class
subclass of: lipid
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: fatty acid
has_related_synonym: 44.00950
has_related_synonym: Alkanate
has_alternative_id: CHEBI:13634
has_alternative_id: CHEBI:24022
id: CHEBI:28868
has_alternative_id: CHEBI:4985
has_related_synonym: CO2R
has_exact_synonym: Fatty acid anion
has_related_synonym: Fettsaeureanion
has_related_synonym: Fettsaeureanionen
database_cross_reference: KEGG:C02403
database_cross_reference: PMID:18628202
definition: The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid.
has_related_synonym: [O-]C([*])=O
has_related_synonym: a fatty acid
has_related_synonym: acido graso anionico
has_related_synonym: acidos grasos anionicos
has_related_synonym: anion de l'acide gras
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid anions
imported from: chebi.owl

tetradecanoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: tetradecanoate
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 3.1.1.1 (carboxylesterase) inhibitor
has_related_synonym: 1-tetradecanecarboxylic acid
has_related_synonym: 14
has_related_synonym: 14:0
has_related_synonym: 14:00
has_related_synonym: 228.37090
definition: A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.
database_cross_reference: Beilstein:508624
has_related_synonym: C14
has_related_synonym: C14H28O2
database_cross_reference: CAS:544-63-8
has_related_synonym: CCCCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]12-COOH
has_alternative_id: CHEBI:26897
has_alternative_id: CHEBI:278516
id: CHEBI:28875
has_alternative_id: CHEBI:44232
has_alternative_id: CHEBI:7056
has_alternative_id: CHEBI:73168
database_cross_reference: DrugBank:DB08231
database_cross_reference: Gmelin:242115
database_cross_reference: HMDB:HMDB00806
has_related_synonym: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
database_cross_reference: KEGG:C06424
database_cross_reference: KNApSAcK:C00001228
database_cross_reference: LIPID_MAPS_instance:LMFA01010014
has_related_synonym: MYRISTIC ACID
database_cross_reference: MetaCyc:CPD-7836
has_related_synonym: Myristic acid
has_related_synonym: Myristinsaeure
database_cross_reference: PDBeChem:MYR
database_cross_reference: PMID:13129458
database_cross_reference: PMID:15149689
database_cross_reference: PMID:16509590
database_cross_reference: PMID:16554156
database_cross_reference: PMID:19154695
database_cross_reference: PMID:19761868
database_cross_reference: PMID:19786012
database_cross_reference: PMID:19902021
database_cross_reference: PMID:19955401
database_cross_reference: PMID:20634506
database_cross_reference: PMID:20920594
database_cross_reference: PMID:21955528
database_cross_reference: PMID:22030224
database_cross_reference: PMID:27206979
database_cross_reference: PMID:6802973
database_cross_reference: Reaxys:508624
has_related_synonym: TUNFSRHWOTWDNC-UHFFFAOYSA-N
has_exact_synonym: Tetradecanoic acid
database_cross_reference: Wikipedia:Myristic_acid
has_related_synonym: acide tetradecanoique
has_obo_namespace: chebi_ontology
has_exact_synonym: myristic acid
has_related_synonym: n-Tetradecan-1-oic acid
has_related_synonym: n-Tetradecoic acid
has_related_synonym: n-tetradecanoic acid
has_related_synonym: tetradecoic acid
imported from: chebi.owl

butan-1-ol
type: Class
subclass of: primary alcohol
subclass of: alkyl alcohol
subclass of: Restriction
  on property: has role
  some values from: protic solvent
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 1-BUTANOL
has_related_synonym: 1-Butanol
has_related_synonym: 1-butyl alcohol
has_related_synonym: 1-hydroxybutane
has_related_synonym: 74.12160
definition: A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.
database_cross_reference: Beilstein:969148
has_related_synonym: BuOH
has_related_synonym: C4H10O
database_cross_reference: CAS:71-36-3
has_related_synonym: CCCCO
has_alternative_id: CHEBI:22936
id: CHEBI:28885
has_alternative_id: CHEBI:39632
has_alternative_id: CHEBI:612
database_cross_reference: DrugBank:DB02145
database_cross_reference: Gmelin:25753
database_cross_reference: HMDB:HMDB04327
has_related_synonym: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
database_cross_reference: KEGG:C06142
database_cross_reference: KEGG:D03200
has_related_synonym: LRHPLDYGYMQRHN-UHFFFAOYSA-N
database_cross_reference: MetaCyc:BUTANOL
database_cross_reference: PDBeChem:1BO
database_cross_reference: PMID:23980702
database_cross_reference: PMID:7096503
database_cross_reference: Reaxys:969148
database_cross_reference: Wikipedia:N-Butanol
has_exact_synonym: butan-1-ol
has_obo_namespace: chebi_ontology
has_related_synonym: n-Butanol
has_related_synonym: n-Butylalkohol
has_related_synonym: n-butan-1-ol
has_related_synonym: n-butyl alcohol
has_related_synonym: propyl carbinol
imported from: chebi.owl

pentadecane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: animal metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: 212.41458
definition: A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae.
database_cross_reference: Beilstein:1698194
has_related_synonym: C15H32
database_cross_reference: CAS:629-62-9
has_related_synonym: CCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]13-CH3
has_alternative_id: CHEBI:25466
id: CHEBI:28897
has_alternative_id: CHEBI:44175
has_alternative_id: CHEBI:7973
database_cross_reference: DrugBank:DB03715
database_cross_reference: HMDB:HMDB59886
has_related_synonym: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
database_cross_reference: KEGG:C08388
database_cross_reference: KNApSAcK:C00001265
database_cross_reference: LIPID_MAPS_instance:LMFA11000006
database_cross_reference: MetaCyc:CPD-7946
database_cross_reference: PDBeChem:MYS
has_exact_synonym: PENTADECANE
database_cross_reference: PMID:14598162
database_cross_reference: PMID:15330541
database_cross_reference: PMID:23847066
database_cross_reference: PMID:23973758
has_exact_synonym: Pentadecane
has_related_synonym: Pentadekan
database_cross_reference: Reaxys:1698194
database_cross_reference: Wikipedia:Pentadecane
has_related_synonym: YCOZIPAWZNQLMR-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: n-Pentadecane
imported from: chebi.owl

decan-1-ol
type: Class
subclass of: primary alcohol
subclass of: fatty alcohol
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: protic solvent
has_related_synonym: 1-Decanol
has_related_synonym: 158.281
definition: A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms.
database_cross_reference: Beilstein:1735221
has_related_synonym: C(CCCCCCC)CCO
has_related_synonym: C10H22O
database_cross_reference: CAS:112-30-1
has_alternative_id: CHEBI:10605
has_alternative_id: CHEBI:132855
has_alternative_id: CHEBI:23569
id: CHEBI:28903
has_alternative_id: CHEBI:41909
has_related_synonym: Decyl alcohol
database_cross_reference: Gmelin:218613
database_cross_reference: HMDB:HMDB11624
has_related_synonym: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
database_cross_reference: KEGG:C01633
database_cross_reference: KNApSAcK:C00030100
database_cross_reference: LIPID_MAPS_instance:LMFA05000062
has_related_synonym: MWKFXSUHUHTGQN-UHFFFAOYSA-N
database_cross_reference: PDBeChem:DE1
database_cross_reference: PMID:17314143
database_cross_reference: PMID:18597345
database_cross_reference: PMID:18601223
database_cross_reference: PMID:27471068
database_cross_reference: PMID:5485018
database_cross_reference: Reaxys:1735221
database_cross_reference: Wikipedia:1-Decanol
has_related_synonym: capric alcohol
has_related_synonym: caprinic alcohol
has_obo_namespace: chebi_ontology
has_exact_synonym: decan-1-ol
has_related_synonym: n-Decanol
has_related_synonym: n-decan-1-ol
has_related_synonym: n-decyl alcohol
has_related_synonym: nonylcarbinol
imported from: chebi.owl

protoanemonin
type: Class
subclass of: butenolide
has_related_synonym: 4-Methylenebut-2-en-4-olide
has_related_synonym: 5-methylene-2(5H)-furanone
has_exact_synonym: 5-methylenefuran-2(5H)-one
has_related_synonym: 96.08406
definition: A butenolide that has formula C5H4O2.
database_cross_reference: Beilstein:105670
has_related_synonym: C5H4O2
has_related_synonym: C=C1OC(=O)C=C1
database_cross_reference: CAS:108-28-1
has_alternative_id: CHEBI:20447
id: CHEBI:28906
has_alternative_id: CHEBI:8585
has_related_synonym: InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2
database_cross_reference: KEGG:C07090
database_cross_reference: KNApSAcK:C00000301
has_exact_synonym: Protoanemonin
has_related_synonym: RNYZJZKPGHQTJR-UHFFFAOYSA-N
database_cross_reference: UM-BBD_compID:c0298
has_obo_namespace: chebi_ontology
has_related_synonym: cis-4-Methylenebut-2-en-4-olide
imported from: chebi.owl

ammonium
type: Class
subclass of: nitrogen hydride
subclass of: ammonium ion
subclass of: onium cation
subclass of: monovalent inorganic cation
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: ammonia
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 18.03850
has_related_synonym: AMMONIUM ION
has_related_synonym: Ammonium(1+)
definition: An onium cation obtained by protonation of ammonia.
database_cross_reference: CAS:14798-03-9
has_alternative_id: CHEBI:22534
id: CHEBI:28938
has_alternative_id: CHEBI:49783
has_alternative_id: CHEBI:7435
database_cross_reference: Gmelin:84
has_related_synonym: H4N
has_related_synonym: InChI=1S/H3N/h1H3/p+1
database_cross_reference: KEGG:C01342
database_cross_reference: MetaCyc:AMMONIUM
database_cross_reference: MolBase:929
has_related_synonym: NH4(+)
has_related_synonym: NH4+
database_cross_reference: PDBeChem:NH4
database_cross_reference: PMID:11319011
database_cross_reference: PMID:11341317
database_cross_reference: PMID:12096804
database_cross_reference: PMID:14512268
database_cross_reference: PMID:14879753
database_cross_reference: PMID:16345391
database_cross_reference: PMID:16903292
database_cross_reference: PMID:17392693
database_cross_reference: PMID:18515490
database_cross_reference: PMID:19199063
database_cross_reference: PMID:19596600
database_cross_reference: PMID:19682559
database_cross_reference: PMID:19716251
database_cross_reference: PMID:21993530
database_cross_reference: PMID:22265469
database_cross_reference: PMID:22524020
database_cross_reference: PMID:22562341
database_cross_reference: PMID:22631217
has_related_synonym: QGZKDVFQNNGYKY-UHFFFAOYSA-O
database_cross_reference: Reaxys:16093784
database_cross_reference: Wikipedia:Ammonium
has_related_synonym: [H][N+]([H])([H])[H]
has_related_synonym: [NH4](+)
has_exact_synonym: ammonium
has_exact_synonym: azanium
has_obo_namespace: chebi_ontology
imported from: chebi.owl

behenic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: behenate
has_related_synonym: 1-docosanoic acid
has_related_synonym: 340.58360
definition: A straight-chain, C22, long-chain saturated fatty acid.
has_exact_synonym: Behenic acid
has_related_synonym: Behensaeure
database_cross_reference: Beilstein:1792887
has_related_synonym: C22H44O2
database_cross_reference: CAS:112-85-6
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]20-COOH
has_alternative_id: CHEBI:25463
id: CHEBI:28941
has_alternative_id: CHEBI:3003
has_related_synonym: Docosanoate
has_related_synonym: Docosanoic acid
has_related_synonym: Docosansaeure
has_related_synonym: Dokosansaeure
database_cross_reference: Gmelin:232293
has_related_synonym: Heneicosansaeure
database_cross_reference: KEGG:C08281
database_cross_reference: KNApSAcK:C00001211
database_cross_reference: LIPID_MAPS_instance:LMFA01010022
database_cross_reference: PMID:11124748
database_cross_reference: PMID:12357383
database_cross_reference: PMID:15716582
database_cross_reference: PMID:20565070
database_cross_reference: Reaxys:1792887
has_related_synonym: UKMSUNONTOPOIO-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: docosanic acid
has_exact_synonym: docosanoic acid
has_related_synonym: docosoic acid
has_related_synonym: n-docosanoic acid
imported from: chebi.owl

amino sugar
type: Class
subclass of: carbohydrate derivative
has_related_synonym: Aminosugars
definition: Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups.
has_alternative_id: CHEBI:22481
has_alternative_id: CHEBI:22530
has_alternative_id: CHEBI:2662
id: CHEBI:28963
database_cross_reference: KEGG:C05383
database_cross_reference: PMID:18424273
database_cross_reference: PMID:9056391
has_related_synonym: amino sugars
has_related_synonym: aminosugar
has_obo_namespace: chebi_ontology
imported from: chebi.owl

dicarboxylic acid dianion
type: Class
subclass of: dicarboxylic acid anion
subclass of: carboxylic acid dianion
definition: A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid.
has_related_synonym: C2O4R
has_alternative_id: CHEBI:13632
has_alternative_id: CHEBI:23688
has_alternative_id: CHEBI:23689
id: CHEBI:28965
has_alternative_id: CHEBI:38711
has_related_synonym: [O-]C(=O)[*]C([O-])=O
has_related_synonym: a dicarboxylate
has_obo_namespace: chebi_ontology
has_related_synonym: dicarboxylate
has_related_synonym: dicarboxylates
has_exact_synonym: dicarboxylic acid dianion
has_related_synonym: dicarboxylic acid dianions
imported from: chebi.owl

chlorophyll
type: Class
subclass of: magnesium porphyrin
database_cross_reference: CAS:1406-65-1
has_alternative_id: CHEBI:13973
has_alternative_id: CHEBI:23161
id: CHEBI:28966
has_alternative_id: CHEBI:3630
has_alternative_id: CHEBI:3635
database_cross_reference: COMe:MOL000012
has_exact_synonym: Chlorophyll
database_cross_reference: KEGG:C01793
has_related_synonym: a chlorophyll
has_obo_namespace: chebi_ontology
has_exact_synonym: chlorophyll
has_exact_synonym: chlorophylls
imported from: chebi.owl

(R)-propane-1,2-diol
type: Class
subclass of: propane-1,2-diol
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (S)-propane-1,2-diol
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_exact_synonym: (2R)-propane-1,2-diol
has_related_synonym: (R)-1,2-Propanediol
has_exact_synonym: (R)-Propane-1,2-diol
has_related_synonym: (R)-Propylene glycol
has_exact_synonym: (R)-propane-1,2-diol
has_related_synonym: 76.09442
definition: A propane-1,2-diol that has formula C3H8O2.
has_related_synonym: C3H8O2
database_cross_reference: CAS:4254-14-2
has_alternative_id: CHEBI:18705
id: CHEBI:28972
has_alternative_id: CHEBI:352
has_alternative_id: CHEBI:44863
has_related_synonym: C[C@@H](O)CO
has_related_synonym: DNIAPMSPPWPWGF-GSVOUGTGSA-N
database_cross_reference: DrugBank:DB02159
has_related_synonym: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
database_cross_reference: KEGG:C02912
database_cross_reference: PDBeChem:PGR
has_related_synonym: R-1,2-PROPANEDIOL
has_obo_namespace: chebi_ontology
imported from: chebi.owl

strychnine
type: Class
subclass of: organic heteroheptacyclic compound
subclass of: monoterpenoid indole alkaloid
subclass of: Restriction
  on property: has parent hydride
  some values from: strychnidine
has_related_synonym: 334.41160
definition: A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.
database_cross_reference: Beilstein:52979
has_related_synonym: C21H22N2O2
database_cross_reference: CAS:57-24-9
has_alternative_id: CHEBI:26795
id: CHEBI:28973
has_alternative_id: CHEBI:9293
database_cross_reference: Gmelin:117894
has_related_synonym: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
database_cross_reference: KEGG:C06522
database_cross_reference: KNApSAcK:C00001770
database_cross_reference: KNApSAcK:C00025213
database_cross_reference: PDBeChem:SY9
database_cross_reference: PMID:10471592
database_cross_reference: PMID:10821054
database_cross_reference: PMID:11024105
database_cross_reference: PMID:11157095
database_cross_reference: PMID:11324564
database_cross_reference: PMID:11327524
database_cross_reference: PMID:11453337
database_cross_reference: PMID:11516560
database_cross_reference: PMID:11900860
database_cross_reference: PMID:12611967
database_cross_reference: PMID:12718443
database_cross_reference: PMID:12742643
database_cross_reference: PMID:12757728
database_cross_reference: PMID:14530208
database_cross_reference: PMID:14552874
database_cross_reference: PMID:14575889
database_cross_reference: PMID:15046720
database_cross_reference: PMID:15275654
database_cross_reference: PMID:15302677
database_cross_reference: PMID:15601738
database_cross_reference: PMID:15610168
database_cross_reference: PMID:16075189
database_cross_reference: PMID:16171972
database_cross_reference: PMID:16887371
database_cross_reference: PMID:16950410
database_cross_reference: PMID:17145135
database_cross_reference: PMID:17365101
database_cross_reference: PMID:17449162
database_cross_reference: PMID:17595105
database_cross_reference: PMID:17827655
database_cross_reference: PMID:17900376
database_cross_reference: PMID:18199816
database_cross_reference: PMID:19071748
database_cross_reference: PMID:19194159
database_cross_reference: PMID:19200346
database_cross_reference: PMID:19394327
database_cross_reference: PMID:19445923
database_cross_reference: PMID:19617896
database_cross_reference: PMID:19628662
database_cross_reference: PMID:20534469
database_cross_reference: PMID:20810461
database_cross_reference: PMID:20837125
database_cross_reference: PMID:21042643
database_cross_reference: PMID:21109870
database_cross_reference: PMID:21468359
database_cross_reference: PMID:21506420
database_cross_reference: PMID:21532268
database_cross_reference: PMID:21616062
database_cross_reference: PMID:21618309
database_cross_reference: PMID:21666516
database_cross_reference: PMID:21726589
database_cross_reference: PMID:22168233
database_cross_reference: PMID:22417832
database_cross_reference: PMID:23395890
database_cross_reference: PMID:25702781
database_cross_reference: PMID:25877308
database_cross_reference: PMID:25958869
database_cross_reference: PMID:26028680
database_cross_reference: PMID:26173662
database_cross_reference: PMID:26223366
database_cross_reference: PMID:26330182
database_cross_reference: PMID:26416729

carbonic acid
type: Class
subclass of: carbon oxoacid
subclass of: chalcocarbonic acid
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hydrogencarbonate
has_related_synonym: 62.02478
definition: A chalcocarbonic acid that has formula CH2O3.
has_related_synonym: BVKZGUZCCUSVTD-UHFFFAOYSA-N
database_cross_reference: CAS:463-79-6
has_related_synonym: CH2O3
has_alternative_id: CHEBI:13351
has_alternative_id: CHEBI:23017
has_alternative_id: CHEBI:23744
id: CHEBI:28976
has_alternative_id: CHEBI:3401
has_exact_synonym: Carbonic acid
has_related_synonym: Dihydrogen carbonate
database_cross_reference: Gmelin:25554
has_related_synonym: H2CO3
has_related_synonym: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
database_cross_reference: KEGG:C01353
has_related_synonym: Koehlensaeure
has_related_synonym: OC(O)=O
database_cross_reference: PDBeChem:CO3
has_related_synonym: [CO(OH)2]
has_exact_synonym: carbonic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydroxidooxidocarbon
imported from: chebi.owl

(S)-propane-1,2-diol
type: Class
subclass of: propane-1,2-diol
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (R)-propane-1,2-diol
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
has_exact_synonym: (2S)-propane-1,2-diol
has_related_synonym: (S)-1,2-Propanediol
has_exact_synonym: (S)-Propane-1,2-diol
has_related_synonym: (S)-Propylene glycol
has_exact_synonym: (S)-propane-1,2-diol
has_related_synonym: 76.09442
definition: A propane-1,2-diol that has formula C3H8O2.
has_related_synonym: C3H8O2
has_alternative_id: CHEBI:18799
id: CHEBI:29002
has_alternative_id: CHEBI:440
has_alternative_id: CHEBI:45065
has_related_synonym: C[C@H](O)CO
has_related_synonym: DNIAPMSPPWPWGF-VKHMYHEASA-N
database_cross_reference: DrugBank:DB04349
has_related_synonym: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
database_cross_reference: KEGG:C02917
database_cross_reference: PDBeChem:PGO
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclohexane
type: Class
subclass of: cycloalkane
subclass of: Restriction
  on property: has role
  some values from: non-polar solvent
has_related_synonym: 84.15948
definition: An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.
database_cross_reference: Beilstein:1900225
has_related_synonym: C1CCCCC1
has_related_synonym: C6H12
database_cross_reference: CAS:110-82-7
has_alternative_id: CHEBI:23472
id: CHEBI:29005
has_alternative_id: CHEBI:4009
has_alternative_id: CHEBI:41506
has_exact_synonym: CYCLOHEXANE
has_related_synonym: Cyclohexan
has_exact_synonym: Cyclohexane
database_cross_reference: DrugBank:DB03561
database_cross_reference: Gmelin:1662
database_cross_reference: HMDB:HMDB29597
has_related_synonym: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
database_cross_reference: KEGG:C11249
database_cross_reference: MetaCyc:CPD-8923
database_cross_reference: PDBeChem:CHX
database_cross_reference: PMID:11234809
database_cross_reference: PMID:24334480
database_cross_reference: Reaxys:1900225
database_cross_reference: Wikipedia:Cyclohexane
has_related_synonym: XDTMQSROBMDMFD-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclohexane
has_related_synonym: hexahydrobenzene
has_related_synonym: hexamethylene
has_related_synonym: hexanaphthene
imported from: chebi.owl

arginine
type: Class
subclass of: guanidines
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: argininium(1+)
subclass of: Restriction
  on property: is conjugate acid of
  some values from: argininate
subclass of: Restriction
  on property: has part
  some values from: 3-carbamimidamidopropyl group
has_related_synonym: 174.20112
has_related_synonym: 2-Amino-5-guanidinovaleric acid
has_related_synonym: 2-amino-5-(carbamimidamido)pentanoic acid
has_related_synonym: 2-amino-5-guanidinopentanoic acid
definition: An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.
has_related_synonym: Arginin
has_exact_synonym: Arginine
database_cross_reference: Beilstein:1725411
has_related_synonym: C6H14N4O2
database_cross_reference: CAS:7200-25-1
has_alternative_id: CHEBI:22616
has_alternative_id: CHEBI:2643
id: CHEBI:29016
has_related_synonym: Harg
has_related_synonym: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
database_cross_reference: KEGG:C02385
has_related_synonym: NC(CCCNC(N)=N)C(O)=O
has_related_synonym: ODKSFYDXXFIFQN-UHFFFAOYSA-N
database_cross_reference: PMID:10848923
database_cross_reference: Reaxys:1725411
database_cross_reference: Wikipedia:L-Arginine
has_exact_synonym: arginine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nonanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: nonane
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: nonanoate
subclass of: Restriction
  on property: has role
  some values from: antifeedant
has_related_synonym: 1-nonanoic acid
has_related_synonym: 1-octanecarboxylic acid
has_related_synonym: 158.23800
definition: A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers.
database_cross_reference: Beilstein:1752351
has_related_synonym: C9H18O2
database_cross_reference: CAS:112-05-0
has_related_synonym: CCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]7-COOH
has_alternative_id: CHEBI:25861
id: CHEBI:29019
has_alternative_id: CHEBI:7616
has_related_synonym: FBUKVWPVBMHYJY-UHFFFAOYSA-N
database_cross_reference: Gmelin:185341
has_related_synonym: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
database_cross_reference: KEGG:C01601
database_cross_reference: KNApSAcK:C00030829
database_cross_reference: LIPID_MAPS_instance:LMFA01010009
database_cross_reference: MetaCyc:CPD-8505
has_related_synonym: Nonanoate
has_exact_synonym: Nonanoic acid
has_related_synonym: Nonansaeure
database_cross_reference: PMID:11413921
database_cross_reference: PMID:16124228
database_cross_reference: PMID:19274268
database_cross_reference: PMID:20673187
has_related_synonym: Pelargonic acid
has_related_synonym: Pelargonsaeure
database_cross_reference: Reaxys:1752351
database_cross_reference: Wikipedia:Nonanoic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: n-nonanoic acid
has_exact_synonym: nonanoic acid
has_related_synonym: nonoic acid
has_related_synonym: nonylic acid
has_related_synonym: pelargic acid
has_related_synonym: pelargon
has_related_synonym: pergonic acid
imported from: chebi.owl

iron(2+)
type: Class
subclass of: iron cation
subclass of: monoatomic dication
subclass of: divalent metal cation
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 55.84500
definition: An iron cation that has formula Fe.
database_cross_reference: CAS:15438-31-0
has_alternative_id: CHEBI:13319
has_alternative_id: CHEBI:13321
has_alternative_id: CHEBI:21129
has_alternative_id: CHEBI:24876
id: CHEBI:29033
has_alternative_id: CHEBI:34754
has_alternative_id: CHEBI:49599
has_related_synonym: CWYNVVGOOAEACU-UHFFFAOYSA-N
has_related_synonym: FE (II) ION
has_related_synonym: Fe
has_related_synonym: Fe(2+)
has_related_synonym: Fe(II)
has_related_synonym: Fe2+
has_related_synonym: Ferrous ion
database_cross_reference: Gmelin:6845
has_related_synonym: InChI=1S/Fe/q+2
has_exact_synonym: Iron(2+)
database_cross_reference: KEGG:C14818
database_cross_reference: PDBeChem:FE2
has_related_synonym: [Fe++]
has_obo_namespace: chebi_ontology
has_related_synonym: iron ion(2+)
has_exact_synonym: iron(2+)
has_exact_synonym: iron(2+) ion
has_exact_synonym: iron(II) cation
imported from: chebi.owl

manganese(2+)
type: Class
subclass of: manganese cation
subclass of: monoatomic dication
subclass of: divalent metal cation
has_related_synonym: 54.93805
definition: A divalent metal cation in which the metal is manganese.
database_cross_reference: CAS:16397-91-4
has_alternative_id: CHEBI:21435
has_alternative_id: CHEBI:25156
id: CHEBI:29035
has_alternative_id: CHEBI:49749
database_cross_reference: Gmelin:6858
has_related_synonym: InChI=1S/Mn/q+2
has_related_synonym: MANGANESE (II) ION
has_related_synonym: Mn
has_related_synonym: Mn(2+)
has_related_synonym: Mn(II)
has_related_synonym: Mn2+
database_cross_reference: PDBeChem:MN
has_related_synonym: WAEMQWOKJMHJLA-UHFFFAOYSA-N
has_related_synonym: [Mn++]
has_obo_namespace: chebi_ontology
has_exact_synonym: manganese(2+)
has_exact_synonym: manganese(2+) ion
has_related_synonym: manganese(II)
has_exact_synonym: manganese(II) cation
has_related_synonym: manganese, ion (Mn2+)
has_related_synonym: manganous ion
imported from: chebi.owl

copper(2+)
type: Class
subclass of: copper cation
subclass of: monoatomic dication
subclass of: divalent metal cation
has_related_synonym: 63.54600
definition: An ion of copper carrying a double positive charge.
database_cross_reference: CAS:15158-11-9
has_alternative_id: CHEBI:20882
has_alternative_id: CHEBI:23380
id: CHEBI:29036
has_alternative_id: CHEBI:49550
has_related_synonym: COPPER (II) ION
has_related_synonym: Cu
has_related_synonym: Cu(2+)
has_related_synonym: Cu(II)
has_related_synonym: Cu2+
database_cross_reference: Gmelin:6855
has_related_synonym: InChI=1S/Cu/q+2
has_related_synonym: JPVYNHNXODAKFH-UHFFFAOYSA-N
database_cross_reference: PDBeChem:CU
database_cross_reference: PMID:23900424
database_cross_reference: PMID:24168430
database_cross_reference: Reaxys:3587177
has_related_synonym: [Cu++]
has_obo_namespace: chebi_ontology
has_exact_synonym: copper(2+)
has_exact_synonym: copper(2+) ion
has_related_synonym: copper(II) cation
has_exact_synonym: copper(II) cation
has_related_synonym: copper, ion (Cu2+)
has_related_synonym: cupric ion
imported from: chebi.owl

carboxylic acid anion
type: Class
subclass of: organic anion
subclass of: oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: carboxylic acid
has_related_synonym: 44.00950
has_alternative_id: CHEBI:13626
has_alternative_id: CHEBI:13945
has_alternative_id: CHEBI:23026
id: CHEBI:29067
has_alternative_id: CHEBI:58657
has_related_synonym: CO2R
definition: The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated.
has_related_synonym: [O-]C([*])=O
has_related_synonym: a carboxylate
has_related_synonym: carboxylic acid anions
has_related_synonym: carboxylic anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phthalic acid
type: Class
subclass of: benzenedicarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phthalate(1-)
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phthalate
has_related_synonym: 1,2-Benzenedicarboxylic acid
has_related_synonym: 166.13084
definition: A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.
database_cross_reference: Beilstein:608199
has_related_synonym: C8H6O4
database_cross_reference: CAS:88-99-3
has_alternative_id: CHEBI:14832
has_alternative_id: CHEBI:26093
id: CHEBI:29069
has_alternative_id: CHEBI:44902
has_alternative_id: CHEBI:8174
database_cross_reference: DrugBank:DB02746
database_cross_reference: Gmelin:27343
has_related_synonym: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
database_cross_reference: KEGG:C01606
has_related_synonym: OC(=O)c1ccccc1C(O)=O
database_cross_reference: PDBeChem:PHT
has_exact_synonym: PHTHALIC ACID
database_cross_reference: PMID:10682108
database_cross_reference: PMID:15016950
database_cross_reference: PMID:16804812
database_cross_reference: PMID:9838120
has_exact_synonym: Phthalic acid
database_cross_reference: Reaxys:608199
database_cross_reference: Wikipedia:Phthalic_acid
has_related_synonym: XNGIFLGASWRNHJ-UHFFFAOYSA-N
has_exact_synonym: benzene-1,2-dicarboxylic acid
has_obo_namespace: chebi_ontology
has_related_synonym: o-benzenedicarboxylic acid
has_related_synonym: ortho-phthalic acid
has_exact_synonym: phthalic acid
imported from: chebi.owl

mononucleotide
type: Class
subclass of: nucleotide
has_related_synonym: 213.103
has_related_synonym: C5H10O7PR
has_alternative_id: CHEBI:14616
has_alternative_id: CHEBI:25404
id: CHEBI:29075
has_alternative_id: CHEBI:6983
database_cross_reference: KEGG:C02171
has_exact_synonym: Mononucleotide
has_obo_namespace: chebi_ontology
has_exact_synonym: mononucleotide
has_related_synonym: mononucleotides
imported from: chebi.owl

potassium(1+)
type: Class
subclass of: monoatomic monocation
subclass of: alkali metal cation
subclass of: elemental potassium
subclass of: monovalent inorganic cation
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 39.09830
definition: A monoatomic monocation obtained from potassium.
database_cross_reference: CAS:24203-36-9
has_alternative_id: CHEBI:26219
id: CHEBI:29103
has_alternative_id: CHEBI:49685
has_alternative_id: CHEBI:8345
database_cross_reference: Gmelin:15203
has_related_synonym: InChI=1S/K/q+1
has_related_synonym: K
has_related_synonym: K(+)
has_related_synonym: K+
database_cross_reference: KEGG:C00238
database_cross_reference: KEGG:D08403
has_related_synonym: NPYPAHLBTDXSSS-UHFFFAOYSA-N
database_cross_reference: PDBeChem:K
has_related_synonym: POTASSIUM ION
has_related_synonym: [K+]
has_obo_namespace: chebi_ontology
has_exact_synonym: potassium cation
has_exact_synonym: potassium(1+)
has_exact_synonym: potassium(1+) ion
has_exact_synonym: potassium(I) cation
imported from: chebi.owl

zinc(2+)
type: Class
subclass of: monoatomic dication
subclass of: divalent metal cation
subclass of: zinc cation
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 65.39000
definition: A zinc cation that has formula Zn.
database_cross_reference: CAS:23713-49-7
has_alternative_id: CHEBI:10113
has_alternative_id: CHEBI:27368
id: CHEBI:29105
has_alternative_id: CHEBI:49972
has_alternative_id: CHEBI:49982
database_cross_reference: Gmelin:6869
has_related_synonym: InChI=1S/Zn/q+2
database_cross_reference: KEGG:C00038
database_cross_reference: PDBeChem:ZN
has_related_synonym: PTFCDOFLOPIGGS-UHFFFAOYSA-N
has_related_synonym: ZINC ION
has_related_synonym: Zn
has_related_synonym: Zn(2+)
has_related_synonym: Zn(II)
has_related_synonym: Zn2+
has_related_synonym: [Zn++]
has_obo_namespace: chebi_ontology
has_related_synonym: dietary zinc
has_related_synonym: zinc cation
has_exact_synonym: zinc(2+)
has_exact_synonym: zinc(2+) ion
has_exact_synonym: zinc(II) cation
has_related_synonym: zinc, ion (Zn2+)
imported from: chebi.owl

calcium(2+)
type: Class
subclass of: monoatomic dication
subclass of: calcium cation
subclass of: divalent metal cation
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 40.07800
definition: A calcium cation that has formula Ca.
has_related_synonym: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
has_related_synonym: CALCIUM ION
database_cross_reference: CAS:14127-61-8
has_alternative_id: CHEBI:22988
id: CHEBI:29108
has_alternative_id: CHEBI:3308
has_alternative_id: CHEBI:48760
has_related_synonym: Ca
has_related_synonym: Ca(2+)
has_related_synonym: Ca2+
database_cross_reference: Gmelin:6850
has_related_synonym: InChI=1S/Ca/q+2
database_cross_reference: KEGG:C00076
database_cross_reference: PDBeChem:CA
has_related_synonym: [Ca++]
has_exact_synonym: calcium(2+)
has_exact_synonym: calcium(2+) ion
has_exact_synonym: calcium(II) cation
has_related_synonym: calcium, doubly charged positive ion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

azanide
type: Class
subclass of: nitrogen hydride
subclass of: monovalent inorganic anion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hydridonitrate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: ammonia
has_related_synonym: 16.02262
definition: A nitrogen hydride that has formula H2N.
id: CHEBI:29337
has_related_synonym: H2N
has_related_synonym: HYGWNUKOUCZBND-UHFFFAOYSA-N
has_related_synonym: InChI=1S/H2N/h1H2/q-1
has_related_synonym: NH2(-)
has_related_synonym: [H][N-][H]
has_exact_synonym: amide
has_exact_synonym: azanide
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydridonitrate(1-)
imported from: chebi.owl

hydridonitrate(2-)
type: Class
subclass of: nitrogen hydride
subclass of: divalent inorganic anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: azanide
has_related_synonym: 15.01468
definition: A divalent inorganic anion resulting from the removal of two protons from ammonia.
id: CHEBI:29340
has_related_synonym: DZQYTNGKSBCIOE-UHFFFAOYSA-N
has_related_synonym: HN
has_related_synonym: InChI=1S/HN/h1H/q-2
has_related_synonym: NH(2-)
has_related_synonym: [N--][H]
has_exact_synonym: azanediide
has_obo_namespace: chebi_ontology
has_exact_synonym: hydridonitrate(2-)
has_related_synonym: imide
imported from: chebi.owl

monocarboxylic acid amide
type: Class
subclass of: carboxamide
has_related_synonym: 42.01680
definition: A carboxamide derived from a monocarboxylic acid.
has_alternative_id: CHEBI:13211
has_alternative_id: CHEBI:22207
has_alternative_id: CHEBI:25383
id: CHEBI:29347
has_alternative_id: CHEBI:6977
has_related_synonym: CNOR3
has_related_synonym: [*]N([*])C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: monocarboxylic acid amides
imported from: chebi.owl

fatty amide
type: Class
subclass of: lipid
subclass of: monocarboxylic acid amide
subclass of: fatty acid derivative
subclass of: Restriction
  on property: has functional parent
  some values from: fatty acid
definition: A monocarboxylic acid amide derived from a fatty acid.
has_related_synonym: Aliphatic amide
has_alternative_id: CHEBI:13247
has_alternative_id: CHEBI:22310
has_alternative_id: CHEBI:22330
has_alternative_id: CHEBI:2572
id: CHEBI:29348
has_alternative_id: CHEBI:35749
has_alternative_id: CHEBI:38838
has_related_synonym: CHNOR2
database_cross_reference: KEGG:C02244
database_cross_reference: LIPID_MAPS_class:LMFA08
has_obo_namespace: chebi_ontology
has_exact_synonym: fatty amide
has_related_synonym: fatty amides
imported from: chebi.owl

nerol
type: Class
subclass of: 3,7-dimethylocta-2,6-dien-1-ol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: (2Z)-3,7-dimethyl-2,6-octadien-1-ol
has_exact_synonym: (2Z)-3,7-dimethylocta-2,6-dien-1-ol
has_related_synonym: (Z)-3,7-Dimethylocta-2,6-dien-1-ol
has_related_synonym: (Z)-3,7-dimethyl-2,6-octadien-1-ol
has_related_synonym: (Z)-geraniol
has_related_synonym: 154.24932
has_related_synonym: 2-cis-3,7-dimethyl-2,6-octadien-1-ol
database_cross_reference: Beilstein:1722454
database_cross_reference: Beilstein:1722455
has_related_synonym: C10H18O
database_cross_reference: CAS:106-25-2
has_related_synonym: CC(C)=CCC\C(C)=C/CO
has_alternative_id: CHEBI:24220
id: CHEBI:29452
has_alternative_id: CHEBI:7523
has_related_synonym: GLZPCOQZEFWAFX-YFHOEESVSA-N
has_related_synonym: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
database_cross_reference: KEGG:C09871
database_cross_reference: KNApSAcK:C00000855
database_cross_reference: LIPID_MAPS_instance:LMPR0102010010
database_cross_reference: MetaCyc:CPD-7978
has_exact_synonym: Nerol
database_cross_reference: PMID:23999034
database_cross_reference: PMID:24269775
database_cross_reference: PMID:24599108
database_cross_reference: Patent:CN103342627
database_cross_reference: Patent:MX2013000640
database_cross_reference: Reaxys:1722454
definition: The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass.
database_cross_reference: Wikipedia:Nerol
has_obo_namespace: chebi_ontology
has_related_synonym: cis-3,7-dimethyl-2,6-octadien-1-ol
has_related_synonym: cis-geraniol
has_related_synonym: neryl alcohol
imported from: chebi.owl

ferulate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: ferulic acid
has_exact_synonym: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
has_related_synonym: 193.17606
has_related_synonym: 3-methoxy-4-hydroxy-trans-cinnamate
definition: A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.
has_related_synonym: C10H9O4
has_alternative_id: CHEBI:11848
has_alternative_id: CHEBI:14259
has_alternative_id: CHEBI:24029
id: CHEBI:29749
has_related_synonym: COc1cc(\C=C\C([O-])=O)ccc1O
has_related_synonym: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+
has_related_synonym: KSEBMYQBYZTDHS-HWKANZROSA-M
database_cross_reference: MetaCyc:FERULIC-ACID
has_obo_namespace: chebi_ontology
has_exact_synonym: ferulate
imported from: chebi.owl

(-)-quinate
type: Class
subclass of: quinate
subclass of: Restriction
  on property: is conjugate base of
  some values from: (-)-quinic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (-)-quinate
has_exact_synonym: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate
has_related_synonym: 191.15864
has_exact_synonym: 1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate
definition: A quinate that is the conjugate base of (-)-quinic acid.
has_related_synonym: AAWZDTNXLSGCEK-WYWMIBKRSA-M
has_related_synonym: C7H11O6
has_alternative_id: CHEBI:15000
has_alternative_id: CHEBI:26489
id: CHEBI:29751
has_related_synonym: InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1/t3-,4-,5-,7+/m1/s1
database_cross_reference: KEGG:C00296
has_related_synonym: L-quinate
has_related_synonym: Quinate
database_cross_reference: Reaxys:5029142
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fumarate(2-)
type: Class
subclass of: butenedioate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: fumarate(1-)
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (2E)-but-2-enedioate
has_related_synonym: (2E)-but-2-enedioate
has_related_synonym: (E)-2-butenedioic acid, ion(2-)
has_related_synonym: 114.05628
definition: A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)
database_cross_reference: Beilstein:1861276
has_related_synonym: C4H2O4
database_cross_reference: CAS:142-42-7
has_alternative_id: CHEBI:14284
has_alternative_id: CHEBI:24122
id: CHEBI:29806
has_alternative_id: CHEBI:42511
database_cross_reference: DrugBank:DB01677
has_related_synonym: FUMARATE
database_cross_reference: Gmelin:325288
has_related_synonym: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+
database_cross_reference: KEGG:C00122
database_cross_reference: MetaCyc:FUM
database_cross_reference: PDBeChem:FMR
database_cross_reference: PMID:15618158
database_cross_reference: PMID:16857679
database_cross_reference: PMID:17190852
database_cross_reference: PMID:22052553
database_cross_reference: PMID:22405071
database_cross_reference: Reaxys:1861276
database_cross_reference: UM-BBD_compID:c0111
has_related_synonym: VZCYOOQTPOCHFL-OWOJBTEDSA-L
has_related_synonym: [O-]C(=O)\C=C\C([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fumarate
imported from: chebi.owl

glutamate(2-)
type: Class
subclass of: dicarboxylic acid dianion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: glutamate(1-)
has_related_synonym: 145.11342
has_exact_synonym: 2-aminopentanedioate
definition: A dicarboxylic acid dianion that is the conjugate base of glutamate(1-).
database_cross_reference: Beilstein:4134100
has_related_synonym: C5H7NO4
id: CHEBI:29987
database_cross_reference: Gmelin:327903
has_related_synonym: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
has_related_synonym: NC(CCC([O-])=O)C([O-])=O
database_cross_reference: Reaxys:4134100
has_related_synonym: WHUUTDBJXJRKMK-UHFFFAOYSA-L
has_obo_namespace: chebi_ontology
has_exact_synonym: glutamate
has_exact_synonym: glutamate(2-)
has_related_synonym: glutamic acid dianion
imported from: chebi.owl

D-aspartate(1-)
type: Class
subclass of: aspartate(1-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: D-aspartic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: D-aspartate(2-)
subclass of: Restriction
  on property: is enantiomer of
  some values from: L-aspartate(1-)
has_related_synonym: (2R)-2-ammoniobutanedioate
has_related_synonym: (2R)-2-ammoniosuccinate
has_related_synonym: 132.09478
definition: An aspartate(1-) that is the conjugate base of D-aspartic acid.
database_cross_reference: Beilstein:8316944
has_related_synonym: C4H6NO4
has_alternative_id: CHEBI:12918
has_alternative_id: CHEBI:20919
id: CHEBI:29990
has_related_synonym: CKLJMWTZIZZHCS-UWTATZPHSA-M
has_related_synonym: D-aspartate
has_exact_synonym: D-aspartate(1-)
has_related_synonym: D-aspartic acid monoanion
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m1/s1
database_cross_reference: Reaxys:8316944
has_related_synonym: [NH3+][C@H](CC([O-])=O)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: hydrogen D-aspartate
imported from: chebi.owl

L-aspartate(1-)
type: Class
subclass of: aspartate(1-)
subclass of: polar amino acid zwitterion
subclass of: Restriction
  on property: is conjugate base of
  some values from: L-aspartic acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: L-aspartate(2-)
subclass of: Restriction
  on property: is enantiomer of
  some values from: D-aspartate(1-)
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: (2S)-2-ammoniobutanedioate
has_related_synonym: (2S)-2-ammoniosuccinate
has_related_synonym: 132.09478
definition: An aspartate(1-) that is the conjugate base of L-aspartic acid.
has_related_synonym: C4H6NO4
has_alternative_id: CHEBI:13085
has_alternative_id: CHEBI:21244
id: CHEBI:29991
has_related_synonym: CKLJMWTZIZZHCS-REOHCLBHSA-M
database_cross_reference: Gmelin:327374
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1
has_related_synonym: L-aspartate
has_exact_synonym: L-aspartate(1-)
has_related_synonym: L-aspartic acid monoanion
database_cross_reference: Reaxys:15801578
has_related_synonym: [NH3+][C@@H](CC([O-])=O)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: hydrogen L-aspartate
imported from: chebi.owl

L-aspartate(2-)
type: Class
subclass of: aspartate(2-)
subclass of: L-alpha-amino acid anion
subclass of: Restriction
  on property: is enantiomer of
  some values from: D-aspartate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: L-aspartate(1-)
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_exact_synonym: (2S)-2-aminobutanedioate
has_related_synonym: (2S)-2-aminosuccinate
has_related_synonym: 131.08684
definition: An aspartate(2-) that is the conjugate base of L-aspartate(1-).
database_cross_reference: Beilstein:4133557
has_related_synonym: C4H5NO4
id: CHEBI:29993
has_related_synonym: CKLJMWTZIZZHCS-REOHCLBHSA-L
database_cross_reference: Gmelin:327367
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
has_exact_synonym: L-aspartate
has_exact_synonym: L-aspartate(2-)
has_related_synonym: L-aspartic acid dianion
has_related_synonym: N[C@@H](CC([O-])=O)C([O-])=O
database_cross_reference: Reaxys:4133557
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-aspartate(2-)
type: Class
subclass of: aspartate(2-)
subclass of: Restriction
  on property: is enantiomer of
  some values from: L-aspartate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: D-aspartate(1-)
has_exact_synonym: (2R)-2-aminobutanedioate
has_related_synonym: (2R)-2-aminosuccinate
has_related_synonym: 131.08684
definition: An aspartate(2-) that is the conjugate base of D-aspartate(1-).
has_related_synonym: C4H5NO4
id: CHEBI:29994
has_related_synonym: CKLJMWTZIZZHCS-UWTATZPHSA-L
has_exact_synonym: D-aspartate
has_exact_synonym: D-aspartate(2-)
has_related_synonym: D-aspartic acid dianion
database_cross_reference: Gmelin:327368
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1
has_related_synonym: N[C@H](CC([O-])=O)C([O-])=O
database_cross_reference: Reaxys:14495011
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aspartate(2-)
type: Class
subclass of: aspartate
subclass of: C4-dicarboxylate
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: aspartate(1-)
has_related_synonym: 131.08684
has_exact_synonym: 2-aminobutanedioate
has_related_synonym: 2-aminosuccinate
definition: A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid.
has_related_synonym: C4H5NO4
id: CHEBI:29995
has_related_synonym: CKLJMWTZIZZHCS-UHFFFAOYSA-L
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2
has_related_synonym: NC(CC([O-])=O)C([O-])=O
has_exact_synonym: aspartate
has_exact_synonym: aspartate(2-)
has_related_synonym: aspartic acid dianion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

succinate(2-)
type: Class
subclass of: succinate
subclass of: C4-dicarboxylate
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: succinate(1-)
has_related_synonym: (-)OOC-CH2-CH2-COO(-)
has_related_synonym: 116.07216
definition: A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid.
database_cross_reference: Beilstein:1863859
has_related_synonym: C4H4O4
database_cross_reference: CAS:56-14-4
has_alternative_id: CHEBI:15125
has_alternative_id: CHEBI:22941
has_alternative_id: CHEBI:26803
id: CHEBI:30031
database_cross_reference: Gmelin:240255
has_related_synonym: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2
has_related_synonym: KDYFGRWQOYBRFD-UHFFFAOYSA-L
database_cross_reference: MetaCyc:SUC
database_cross_reference: PMID:17190852
database_cross_reference: Reaxys:1863859
database_cross_reference: UM-BBD_compID:c0312
has_related_synonym: [O-]C(=O)CCC([O-])=O
has_exact_synonym: butanedioate
has_related_synonym: butanedioic acid, ion(2-)
has_obo_namespace: chebi_ontology
has_related_synonym: succinate
imported from: chebi.owl

acetate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: acetic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 59.04402
definition: A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid.
has_related_synonym: ACETATE ION
has_related_synonym: Azetat
database_cross_reference: Beilstein:1901470
has_related_synonym: C2H3O2
database_cross_reference: CAS:71-50-1
has_related_synonym: CC([O-])=O
has_related_synonym: CH3-COO(-)
has_alternative_id: CHEBI:13704
has_alternative_id: CHEBI:22165
id: CHEBI:30089
has_alternative_id: CHEBI:40480
database_cross_reference: DrugBank:DB03166
has_related_synonym: Ethanoat
database_cross_reference: Gmelin:1379
has_related_synonym: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
database_cross_reference: KEGG:C00033
has_related_synonym: MeCO2 anion
database_cross_reference: MetaCyc:ACET
database_cross_reference: PDBeChem:ACT
database_cross_reference: PMID:17190852
database_cross_reference: PMID:22211106
database_cross_reference: PMID:22371380
has_related_synonym: QTBSBXVTEAMEQO-UHFFFAOYSA-M
database_cross_reference: Reaxys:1901470
database_cross_reference: UM-BBD_compID:c0050
database_cross_reference: Wikipedia:Acetate
has_exact_synonym: acetate
has_related_synonym: acetic acid, ion(1-)
has_obo_namespace: chebi_ontology
has_related_synonym: ethanoate
imported from: chebi.owl

boron(1+)
type: Class
subclass of: monoatomic monocation
subclass of: monoatomic boron
has_related_synonym: 10.81100
definition: A monoatomic boron that has formula B.
has_related_synonym: B
has_related_synonym: B(+)
has_related_synonym: Boron cation
has_related_synonym: Boron, ion (B1+)
database_cross_reference: CAS:14594-80-0
id: CHEBI:30165
database_cross_reference: Gmelin:39354
has_related_synonym: HYFJXBYGHMZZPQ-UHFFFAOYSA-N
has_related_synonym: InChI=1S/B/q+1
has_related_synonym: [B+]
has_exact_synonym: boron(1+)
has_exact_synonym: boron(1+) ion
has_exact_synonym: boron(I) cation
has_obo_namespace: chebi_ontology
imported from: chebi.owl

kaempferol 3-O-beta-D-glucoside
type: Class
subclass of: beta-D-glucoside
subclass of: trihydroxyflavone
subclass of: monosaccharide derivative
subclass of: kaempferol O-glucoside
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: trypanocidal drug
has_related_synonym: 3,4',5,7-Tetrahydroxyflavone-3-glucoside
has_exact_synonym: 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
has_related_synonym: 448.378
has_related_synonym: 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
has_related_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
definition: A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage.
has_related_synonym: Astragalin
has_related_synonym: C21H20O11
database_cross_reference: CAS:480-10-4
has_alternative_id: CHEBI:132836
id: CHEBI:30200
has_alternative_id: CHEBI:31745
database_cross_reference: HMDB:HMDB37429
has_related_synonym: InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
has_related_synonym: JPUKWEQWGBDDQB-QSOFNFLRSA-N
database_cross_reference: KEGG:C12249
database_cross_reference: KNApSAcK:C00005138
has_exact_synonym: Kaempferol 3-O-beta-D-glucoside
has_related_synonym: Kaempferol 3-O-glucoside
database_cross_reference: LIPID_MAPS_instance:LMPK12111725
database_cross_reference: MetaCyc:CPD1F-453
database_cross_reference: PMID:21329934
database_cross_reference: PMID:21466157
database_cross_reference: PMID:22210036
database_cross_reference: PMID:22489129
database_cross_reference: PMID:22766709
database_cross_reference: Reaxys:1359980
database_cross_reference: Wikipedia:Astragalin
has_related_synonym: astragaline
has_obo_namespace: chebi_ontology
has_related_synonym: kaempferol-3-O-beta-glucopyranoside
imported from: chebi.owl

phosphorus(.)
type: Class
subclass of: monoatomic phosphorus
has_related_synonym: 30.97376
definition: A monoatomic phosphorus that has formula P.
database_cross_reference: CAS:7723-14-0
id: CHEBI:30207
has_related_synonym: InChI=1S/P
has_related_synonym: OAICVXFJPJFONN-UHFFFAOYSA-N
has_related_synonym: P
has_related_synonym: P(.)
has_related_synonym: [P]
has_obo_namespace: chebi_ontology
has_exact_synonym: monophosphorus
has_related_synonym: phosphorus atom
has_exact_synonym: phosphorus(.)
imported from: chebi.owl

fluorine(1+)
type: Class
subclass of: monoatomic monocation
subclass of: monoatomic fluorine
has_related_synonym: 18.99840
definition: A monoatomic fluorine that has formula F.
database_cross_reference: CAS:14701-13-4
id: CHEBI:30240
has_related_synonym: F
has_related_synonym: F(+)
has_related_synonym: Fluorine cation
database_cross_reference: Gmelin:15174
has_related_synonym: InChI=1S/F/q+1
has_related_synonym: LMHDQOWNISVSPD-UHFFFAOYSA-N
has_related_synonym: [F+]
has_obo_namespace: chebi_ontology
has_exact_synonym: fluorine(1+)
imported from: chebi.owl

linoleate
type: Class
subclass of: octadecadienoate
subclass of: Restriction
  on property: is conjugate base of
  some values from: linoleic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human blood serum metabolite
has_related_synonym: (9Z,12Z)-9,12-octadecadienoic acid, ion(1-)
has_exact_synonym: (9Z,12Z)-octadeca-9,12-dienoate
has_related_synonym: (9Z,12Z)-octadecadienoate
has_related_synonym: (Z,Z)-9,12-octadecadienoic acid, ion(1-)
has_related_synonym: 279.43754
definition: An octadecadienoate with cis- double bonds at the 9- and 12- positions; the conjugate base of linoleic acid.
database_cross_reference: Beilstein:4139597
has_related_synonym: C18H31O2
database_cross_reference: CAS:1509-85-9
has_related_synonym: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
has_alternative_id: CHEBI:12272
has_alternative_id: CHEBI:14515
has_alternative_id: CHEBI:20826
id: CHEBI:30245
database_cross_reference: Gmelin:667201
has_related_synonym: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-
database_cross_reference: KEGG:C01595
database_cross_reference: MetaCyc:LINOLEIC_ACID
has_related_synonym: OYHQOLUKZRVURQ-HZJYTTRNSA-M
database_cross_reference: Reaxys:4139597
has_obo_namespace: chebi_ontology
has_related_synonym: cis,cis-9,12-octadecadienoate
has_related_synonym: cis,cis-linoleate
has_related_synonym: cis-Delta(9,12)-octadecadienoate
has_related_synonym: linoleic acid, ion(1-)
imported from: chebi.owl

isopropyl group
type: Class
subclass of: alkyl group
subclass of: proteinogenic amino-acid side-chain group
subclass of: Restriction
  on property: is substituent group from
  some values from: propane
has_related_synonym: (CH3)2CH-
has_related_synonym: -CH(CH3)2
has_related_synonym: 1-methylethyl
has_related_synonym: 43.08768
has_related_synonym: C3H7
id: CHEBI:30353
has_obo_namespace: chebi_ontology
has_related_synonym: iPr
has_exact_synonym: isopropyl
has_exact_synonym: propan-2-yl
has_related_synonym: valine side-chain
imported from: chebi.owl

isobutyl group
type: Class
subclass of: alkyl group
subclass of: proteinogenic amino-acid side-chain group
subclass of: Restriction
  on property: is substituent group from
  some values from: isobutane
has_related_synonym: (CH3)2CH-CH2-
has_related_synonym: -CH2-CH(CH3)2
has_exact_synonym: 2-methylpropan-1-ido
has_exact_synonym: 2-methylpropyl
has_related_synonym: 57.11426
has_related_synonym: C4H9
id: CHEBI:30356
has_obo_namespace: chebi_ontology
has_related_synonym: iBu
has_exact_synonym: isobutyl
has_related_synonym: leucine side-chain
imported from: chebi.owl

isobutane
type: Class
subclass of: alkane
subclass of: Restriction
  on property: has role
  some values from: refrigerant
subclass of: Restriction
  on property: has role
  some values from: food propellant
has_related_synonym: (CH3)2CH-CH3
has_exact_synonym: 2-methylpropane
has_related_synonym: 58.12220
definition: An alkane that is propane substituted by a methyl group at position 2.
database_cross_reference: Beilstein:1730720
has_related_synonym: C4H10
database_cross_reference: CAS:75-28-5
has_related_synonym: CC(C)C
id: CHEBI:30363
has_related_synonym: E943b
database_cross_reference: Gmelin:1301
has_related_synonym: InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
database_cross_reference: KEGG:D04623
has_related_synonym: NNPPMTNAJDCUHE-UHFFFAOYSA-N
database_cross_reference: PMID:24179026
database_cross_reference: PMID:24464945
has_related_synonym: R-600a
database_cross_reference: Reaxys:1730720
database_cross_reference: Wikipedia:Isobutane
has_obo_namespace: chebi_ontology
has_exact_synonym: isobutane
imported from: chebi.owl

monoatomic dication
type: Class
subclass of: monoatomic cation
has_related_synonym: 0.00000
has_alternative_id: CHEBI:23856
id: CHEBI:30412
has_alternative_id: CHEBI:4665
has_related_synonym: Divalent cation
database_cross_reference: KEGG:C00572
has_related_synonym: [*++]
has_obo_namespace: chebi_ontology
has_related_synonym: divalent cation
has_related_synonym: divalent inorganic cations
has_related_synonym: monoatomic dications
imported from: chebi.owl

silver atom
type: Class
subclass of: copper group element atom
has_related_synonym: 107.86820
has_related_synonym: 47Ag
definition: A copper group element atom that has formula Ag.
has_related_synonym: Ag
has_related_synonym: BQCADISMDOOEFD-UHFFFAOYSA-N
database_cross_reference: CAS:7440-22-4
id: CHEBI:30512
has_related_synonym: InChI=1S/Ag
has_related_synonym: Silber
database_cross_reference: WebElements:Ag
has_related_synonym: [Ag]
has_related_synonym: argent
has_related_synonym: argentum
has_obo_namespace: chebi_ontology
has_related_synonym: plata
has_related_synonym: silver
has_exact_synonym: silver
imported from: chebi.owl

gamma-aminobutyrate
type: Class
subclass of: gamma-amino acid anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: gamma-aminobutyric acid
subclass of: Restriction
  on property: has functional parent
  some values from: butyrate
has_related_synonym: 102.11186
has_related_synonym: 4-Amino-butyrat
has_related_synonym: 4-Aminobutylate
has_exact_synonym: 4-aminobutanoate
has_related_synonym: 4-aminobutanoic acid ion (1-)
has_related_synonym: 4-aminobutyrate
definition: An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid.
has_related_synonym: BTCSSZJGUNDROE-UHFFFAOYSA-M
database_cross_reference: Beilstein:3536873
has_related_synonym: C4H8NO2
has_alternative_id: CHEBI:11961
has_alternative_id: CHEBI:20317
id: CHEBI:30566
database_cross_reference: Gmelin:559138
has_related_synonym: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1
database_cross_reference: KEGG:C00334
has_related_synonym: NCCCC([O-])=O
database_cross_reference: PMID:12509893
database_cross_reference: Reaxys:3536873
has_obo_namespace: chebi_ontology
has_related_synonym: gamma-aminobutanoate
has_related_synonym: gamma-aminobutyrate anion
imported from: chebi.owl

silicon(1+)
type: Class
subclass of: monoatomic monocation
subclass of: elemental silicon
has_related_synonym: 28.08550
definition: An elemental silicon that has formula Si.
database_cross_reference: CAS:14067-07-3
id: CHEBI:30582
has_related_synonym: FSLGCYNKXXIWGJ-UHFFFAOYSA-N
has_related_synonym: InChI=1S/Si/q+1
has_related_synonym: Si
has_related_synonym: Si(+)
has_related_synonym: Silicon cation
has_related_synonym: [Si+]
has_obo_namespace: chebi_ontology
has_exact_synonym: silicon(1+)
has_exact_synonym: silicon(1+) ion
has_exact_synonym: silicon(I) cation
imported from: chebi.owl

oxalate(2-)
type: Class
subclass of: oxalate
subclass of: dicarboxylic acid dianion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: oxalate(1-)
has_related_synonym: 88.01900
definition: A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid.
database_cross_reference: Beilstein:1905970
has_related_synonym: C2O4
database_cross_reference: CAS:338-70-5
has_alternative_id: CHEBI:14702
has_alternative_id: CHEBI:25729
id: CHEBI:30623
has_alternative_id: CHEBI:44820
database_cross_reference: Gmelin:2207
has_related_synonym: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
database_cross_reference: KEGG:C00209
has_related_synonym: MUBZPKHOEPUJKR-UHFFFAOYSA-L
has_related_synonym: OXALATE ION
database_cross_reference: PDBeChem:OXL
database_cross_reference: Reaxys:1905970
database_cross_reference: UM-BBD_compID:c0017
has_related_synonym: [O-]C(=O)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: ethanedioate
has_related_synonym: ethanedioic acid, ion(2-)
has_related_synonym: ox
has_related_synonym: oxalate
imported from: chebi.owl

Berbamine
type: Class
subclass of: bisbenzylisoquinoline alkaloid
subclass of: isoquinolines
has_related_synonym: 608.725
definition: A bisbenzylisoquinoline alkaloid that has formula C37H40N2O6.
has_exact_synonym: Berbamine
has_related_synonym: C37H40N2O6
database_cross_reference: CAS:478-61-5
id: CHEBI:3063
has_related_synonym: DFOCUWZXJBAUSQ-URLMMPGGSA-N
has_related_synonym: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
database_cross_reference: KEGG:C09357
database_cross_reference: KNApSAcK:C00001817
has_obo_namespace: chebi_ontology
imported from: chebi.owl

loganic acid
type: Class
subclass of: glucoside
subclass of: cyclopentapyran
subclass of: alpha,beta-unsaturated monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: loganate
has_exact_synonym: (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
has_related_synonym: 376.35576
definition: A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively
database_cross_reference: Beilstein:4887090
has_related_synonym: C16H24O10
database_cross_reference: CAS:22255-40-9
has_alternative_id: CHEBI:25068
id: CHEBI:30632
has_alternative_id: CHEBI:6512
has_related_synonym: InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
has_related_synonym: JNNGEAWILNVFFD-CDJYTOATSA-N
database_cross_reference: KEGG:C01512
database_cross_reference: KNApSAcK:C00010604
has_exact_synonym: Loganic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phenylacetic acid
type: Class
subclass of: benzenes
subclass of: monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: plant growth retardant
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: auxin
subclass of: Restriction
  on property: has role
  some values from: EC 6.4.1.1 (pyruvate carboxylase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: Aspergillus metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phenylacetate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: toxin
subclass of: Restriction
  on property: has functional parent
  some values from: acetic acid
has_related_synonym: 136.14792
has_related_synonym: 2-PHENYLACETIC ACID
has_related_synonym: 2-Phenylethanoic acid
definition: A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.
database_cross_reference: Beilstein:1099647
has_related_synonym: Benzeneacetic acid
has_related_synonym: Benzylformic acid
has_related_synonym: C8H8O2
database_cross_reference: CAS:103-82-2
has_alternative_id: CHEBI:25977
id: CHEBI:30745
has_alternative_id: CHEBI:44686
has_alternative_id: CHEBI:8085
database_cross_reference: ECMDB:ECMDB04128
database_cross_reference: Gmelin:68976
database_cross_reference: HMDB:HMDB00209
has_related_synonym: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
database_cross_reference: KEGG:C07086
database_cross_reference: KNApSAcK:C00000750
database_cross_reference: MetaCyc:PHENYLACETATE
has_related_synonym: OC(=O)Cc1ccccc1
has_related_synonym: Omega-Phenylacetic acid
has_related_synonym: PA
database_cross_reference: PDBeChem:PAC
database_cross_reference: PMID:12147706
database_cross_reference: PMID:12569987
database_cross_reference: PMID:15057459
database_cross_reference: PMID:15506622
database_cross_reference: PMID:15646820
database_cross_reference: PMID:17622769
database_cross_reference: PMID:2083978
database_cross_reference: PMID:24587751
database_cross_reference: PMID:24631718
database_cross_reference: PMID:7544181
database_cross_reference: PMID:7716788
has_exact_synonym: Phenylacetic acid
database_cross_reference: Reaxys:1099647
has_related_synonym: WLJVXDMOQOGPHL-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Phenylacetic_acid
database_cross_reference: YMDB:YMDB00891
has_related_synonym: alpha-toluic acid
has_related_synonym: benzeneacetic acid
has_obo_namespace: chebi_ontology
has_related_synonym: omega-phenylacetic acid
has_exact_synonym: phenylacetic acid
imported from: chebi.owl

benzoic acid
type: Class
subclass of: benzoic acids
subclass of: Restriction
  on property: has role
  some values from: antimicrobial food preservative
subclass of: Restriction
  on property: has role
  some values from: EC 3.1.1.3 (triacylglycerol lipase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: benzoate
subclass of: Restriction
  on property: has role
  some values from: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: drug allergen
has_related_synonym: 122.12130
definition: A compound comprising a benzene ring core carrying a carboxylic acid substituent.
has_related_synonym: Aromatic carboxylic acid
has_exact_synonym: BENZOIC ACID
database_cross_reference: Beilstein:636131
has_related_synonym: Benzenecarboxylic acid
has_related_synonym: Benzeneformic acid
has_related_synonym: Benzenemethanoic acid
has_related_synonym: Benzoesaeure
has_exact_synonym: Benzoic acid
has_related_synonym: C7H6O2
database_cross_reference: CAS:65-85-0
has_alternative_id: CHEBI:22722
has_alternative_id: CHEBI:3029
id: CHEBI:30746
has_alternative_id: CHEBI:41051
has_related_synonym: Dracylic acid
database_cross_reference: DrugBank:DB03793
has_related_synonym: E210
database_cross_reference: Gmelin:2946
database_cross_reference: HMDB:HMDB01870
has_related_synonym: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
database_cross_reference: KEGG:C00180
database_cross_reference: KEGG:C00539
database_cross_reference: KEGG:D00038
database_cross_reference: KNApSAcK:C00000207
database_cross_reference: LINCS:LSM-37118
database_cross_reference: MetaCyc:BENZOATE
has_related_synonym: OC(=O)c1ccccc1
database_cross_reference: PDBeChem:BEZ
database_cross_reference: PMID:16728954
database_cross_reference: PMID:17439666
database_cross_reference: PMID:18314336
has_related_synonym: Phenylcarboxylic acid
has_related_synonym: Phenylformic acid
database_cross_reference: Reaxys:636131
has_related_synonym: WPYMKLBDIGXBTP-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Benzoic_Acid
database_cross_reference: YMDB:YMDB02301
has_related_synonym: acide benzoique
has_exact_synonym: benzoic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

formic acid
type: Class
subclass of: monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: solvent
subclass of: Restriction
  on property: is conjugate acid of
  some values from: formate
subclass of: Restriction
  on property: has role
  some values from: astringent
subclass of: Restriction
  on property: has role
  some values from: protic solvent
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 46.02538
has_related_synonym: Acide formique
has_related_synonym: Ameisensaeure
has_related_synonym: BDAGIHXWWSANSR-UHFFFAOYSA-N
database_cross_reference: Beilstein:1209246
database_cross_reference: CAS:64-18-6
has_related_synonym: CH2O2
has_alternative_id: CHEBI:24082
id: CHEBI:30751
has_alternative_id: CHEBI:42460
has_alternative_id: CHEBI:5145
database_cross_reference: DrugBank:DB01942
has_exact_synonym: FORMIC ACID
has_exact_synonym: Formic acid
database_cross_reference: Gmelin:1008
has_related_synonym: H-COOH
has_related_synonym: HCO2H
has_related_synonym: HCOOH
database_cross_reference: HMDB:HMDB00142
has_related_synonym: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
database_cross_reference: KEGG:C00058
database_cross_reference: KNApSAcK:C00001182
database_cross_reference: LIPID_MAPS_instance:LMFA01010040
database_cross_reference: MetaCyc:FORMATE
has_related_synonym: Methanoic acid
database_cross_reference: PDBeChem:FMT
database_cross_reference: PMID:12591956
database_cross_reference: PMID:14637377
database_cross_reference: PMID:15811469
database_cross_reference: PMID:16120414
database_cross_reference: PMID:16185830
database_cross_reference: PMID:16222862
database_cross_reference: PMID:16230297
database_cross_reference: PMID:16445901
database_cross_reference: PMID:16465784
database_cross_reference: PMID:18034701
database_cross_reference: PMID:18397576
database_cross_reference: PMID:22080171
database_cross_reference: PMID:22280475
database_cross_reference: PMID:22304812
database_cross_reference: PMID:22385261
database_cross_reference: PMID:22447125
database_cross_reference: PMID:22483350
database_cross_reference: PMID:22499553
database_cross_reference: PMID:22540994
database_cross_reference: PMID:22606986
database_cross_reference: PMID:22622393
database_cross_reference: PMID:3946945
database_cross_reference: PMID:7361809
database_cross_reference: Patent:CN101481304
database_cross_reference: Reaxys:1209246
definition: The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.
database_cross_reference: Wikipedia:Formic_acid
has_related_synonym: [H]C(O)=O
has_related_synonym: aminic acid
has_related_synonym: bilorin
has_obo_namespace: chebi_ontology
has_exact_synonym: formic acid
has_related_synonym: formylic acid
has_related_synonym: hydrogen carboxylic acid
has_related_synonym: methoic acid
imported from: chebi.owl

salicylate
type: Class
subclass of: monohydroxybenzoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: salicylic acid
has_related_synonym: 137.11280
has_exact_synonym: 2-hydroxybenzoate
has_related_synonym: 2-hydroxybenzoic acid ion(1-)
definition: A monohydroxybenzoate that is the conjugate base of salicylic acid.
database_cross_reference: Beilstein:3605209
has_related_synonym: C7H5O3
database_cross_reference: CAS:63-36-5
has_alternative_id: CHEBI:15061
has_alternative_id: CHEBI:26595
id: CHEBI:30762
database_cross_reference: Gmelin:3417
has_related_synonym: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
database_cross_reference: KEGG:C00805
has_related_synonym: Oc1ccccc1C([O-])=O
database_cross_reference: PMID:16669002
database_cross_reference: PMID:16934829
database_cross_reference: Reaxys:3605209
has_exact_synonym: Salicylate
database_cross_reference: UM-BBD_compID:c0043
has_related_synonym: YGSDEFSMJLZEOE-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: o-hydroxybenzoate
has_related_synonym: sal
has_exact_synonym: salicylate
imported from: chebi.owl

propionic acid
type: Class
subclass of: saturated fatty acid
subclass of: short-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: propionate
subclass of: Restriction
  on property: has role
  some values from: antifungal drug
has_related_synonym: 74.07850
definition: A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.
database_cross_reference: Beilstein:506071
has_related_synonym: C3H6O2
database_cross_reference: CAS:79-09-4
has_related_synonym: CCC(O)=O
has_related_synonym: CH3-CH2-COOH
has_alternative_id: CHEBI:26304
id: CHEBI:30768
has_alternative_id: CHEBI:45227
has_alternative_id: CHEBI:8476
database_cross_reference: DrugBank:DB03766
database_cross_reference: Gmelin:1821
has_related_synonym: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
database_cross_reference: KEGG:C00163
database_cross_reference: KEGG:D02310
database_cross_reference: LIPID_MAPS_instance:LMFA01010003
has_related_synonym: PA
database_cross_reference: PDBeChem:PPI
database_cross_reference: PMID:15868474
database_cross_reference: PMID:1628870
database_cross_reference: PMID:16763906
has_related_synonym: PROPANOIC ACID
has_related_synonym: Propanoic acid
has_exact_synonym: Propionic acid
has_related_synonym: Propionsaeure
has_related_synonym: XBDQKXXYIPTUBI-UHFFFAOYSA-N
has_related_synonym: acide propanoique
has_related_synonym: acide propionique
has_related_synonym: carboxyethane
has_obo_namespace: chebi_ontology
has_related_synonym: ethanecarboxylic acid
has_related_synonym: ethylformic acid
has_related_synonym: metacetonic acid
has_related_synonym: methylacetic acid
has_exact_synonym: propanoic acid
has_related_synonym: propioic acid
has_exact_synonym: propionic acid
has_related_synonym: propoic acid
has_related_synonym: pseudoacetic acid
imported from: chebi.owl

citric acid
type: Class
subclass of: tricarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: antimicrobial agent
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: citrate(1-)
subclass of: Restriction
  on property: has role
  some values from: food acidity regulator
subclass of: Restriction
  on property: has role
  some values from: chelator
has_related_synonym: 192.12350
has_related_synonym: 2-Hydroxy-1,2,3-propanetricarboxylic acid
has_related_synonym: 2-Hydroxytricarballylic acid
has_exact_synonym: 2-hydroxypropane-1,2,3-tricarboxylic acid
has_related_synonym: 3-Carboxy-3-hydroxypentane-1,5-dioic acid
definition: A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.
database_cross_reference: Beilstein:782061
has_related_synonym: C6H8O7
database_cross_reference: CAS:77-92-9
has_alternative_id: CHEBI:23322
id: CHEBI:30769
has_alternative_id: CHEBI:3727
has_alternative_id: CHEBI:41523
has_exact_synonym: CITRIC ACID
has_exact_synonym: Citric acid
has_related_synonym: Citronensaeure
database_cross_reference: DrugBank:DB04272
has_related_synonym: E330
database_cross_reference: Gmelin:4240
has_related_synonym: H3cit
database_cross_reference: HMDB:HMDB00094
has_related_synonym: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
database_cross_reference: KEGG:C00158
database_cross_reference: KEGG:D00037
database_cross_reference: KNApSAcK:C00007619
has_related_synonym: KRKNYBCHXYNGOX-UHFFFAOYSA-N
database_cross_reference: MetaCyc:CIT
has_related_synonym: OC(=O)CC(O)(CC(O)=O)C(O)=O
database_cross_reference: PDBeChem:CIT
database_cross_reference: PMID:11762832
database_cross_reference: PMID:11782123
database_cross_reference: PMID:11857437
database_cross_reference: PMID:14537820
database_cross_reference: PMID:15311880
database_cross_reference: PMID:15934243
database_cross_reference: PMID:16232627
database_cross_reference: PMID:17190852
database_cross_reference: PMID:17357118
database_cross_reference: PMID:17604395
database_cross_reference: PMID:18298573
database_cross_reference: PMID:18960216
database_cross_reference: PMID:19288211
database_cross_reference: PMID:22115968
database_cross_reference: PMID:22192423
database_cross_reference: PMID:22264346
database_cross_reference: PMID:22373571
database_cross_reference: PMID:22509852
database_cross_reference: Reaxys:782061
database_cross_reference: Wikipedia:Citric_Acid
has_obo_namespace: chebi_ontology
has_exact_synonym: citric acid
imported from: chebi.owl

butyric acid
type: Class
subclass of: short-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: has role
  some values from: Mycoplasma genitalium metabolite
subclass of: Restriction
  on property: has role
  some values from: human urinary metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: butyrate
has_related_synonym: 1-butanoic acid
has_related_synonym: 1-butyric acid
has_related_synonym: 1-propanecarboxylic acid
has_related_synonym: 4:0
has_related_synonym: 88.10510
definition: A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.
has_related_synonym: BUTANOIC ACID
database_cross_reference: Beilstein:906770
has_related_synonym: Butanoate
has_related_synonym: Butanoic acid
has_related_synonym: Buttersaeure
has_exact_synonym: Butyric acid
has_related_synonym: C4:0
has_related_synonym: C4H8O2
database_cross_reference: CAS:107-92-6
has_related_synonym: CCCC(O)=O
has_related_synonym: CH3-[CH2]2-COOH
has_alternative_id: CHEBI:113450
has_alternative_id: CHEBI:22948
id: CHEBI:30772
has_alternative_id: CHEBI:3234
has_alternative_id: CHEBI:41208
database_cross_reference: DrugBank:DB03568
has_related_synonym: FERIUCNNQQJTOY-UHFFFAOYSA-N
database_cross_reference: Gmelin:26242
database_cross_reference: HMDB:HMDB00039
has_related_synonym: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
database_cross_reference: KEGG:C00246
database_cross_reference: KNApSAcK:C00001180
database_cross_reference: LIPID_MAPS_instance:LMFA01010004
database_cross_reference: MetaCyc:BUTYRIC_ACID
database_cross_reference: PDBeChem:BUA
database_cross_reference: PMID:10736622
database_cross_reference: PMID:10956204
database_cross_reference: PMID:11201044
database_cross_reference: PMID:11208715
database_cross_reference: PMID:11238216
database_cross_reference: PMID:11305323
database_cross_reference: PMID:12068484
database_cross_reference: PMID:13678314
database_cross_reference: PMID:14962641
database_cross_reference: PMID:1542095
database_cross_reference: PMID:15809727
database_cross_reference: PMID:15810631
database_cross_reference: PMID:15938880
database_cross_reference: PMID:19318247
database_cross_reference: PMID:19366864
database_cross_reference: PMID:19703412
database_cross_reference: PMID:21699495
database_cross_reference: PMID:22038864
database_cross_reference: PMID:22194341
database_cross_reference: PMID:22322557
database_cross_reference: PMID:22339023
database_cross_reference: PMID:22466881
database_cross_reference: Reaxys:906770
database_cross_reference: Wikipedia:Butyric_acid
has_related_synonym: acide butanoique
has_related_synonym: acide butyrique
has_related_synonym: butanic acid
has_exact_synonym: butanoic acid
has_related_synonym: butanoic acid
has_related_synonym: butoic acid
has_exact_synonym: butyric acid
has_obo_namespace: chebi_ontology
has_related_synonym: ethylacetic acid
has_related_synonym: n-butanoic acid
has_related_synonym: n-butyric acid
has_related_synonym: propanecarboxylic acid
has_related_synonym: propylformic acid
imported from: chebi.owl

hexanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hexanoate
has_related_synonym: 1-hexanoic acid
has_related_synonym: 1-pentanecarboxylic acid
has_related_synonym: 116.15830
has_related_synonym: 6:0
definition: A C6, straight-chain saturated fatty acid.
database_cross_reference: Beilstein:773837
has_related_synonym: C6:0
has_related_synonym: C6H12O2
database_cross_reference: CAS:142-62-1
has_related_synonym: CCCCCC(O)=O
has_related_synonym: CH3-[CH2]4-COOH
has_alternative_id: CHEBI:24571
id: CHEBI:30776
has_alternative_id: CHEBI:40213
has_alternative_id: CHEBI:5702
database_cross_reference: ECMDB:ECMDB21229
has_related_synonym: FUZZWVXGSFPDMH-UHFFFAOYSA-N
database_cross_reference: Gmelin:185066
has_exact_synonym: HEXANOIC ACID
database_cross_reference: HMDB:HMDB00535
has_related_synonym: Hexanoate
has_exact_synonym: Hexanoic acid
has_related_synonym: Hexylic acid
has_related_synonym: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
database_cross_reference: KEGG:C01585
database_cross_reference: KNApSAcK:C00001218
database_cross_reference: LIPID_MAPS_instance:LMFA01010006
database_cross_reference: MetaCyc:HEXANOATE
database_cross_reference: PDBeChem:6NA
database_cross_reference: PMID:10685018
database_cross_reference: PMID:1556177
database_cross_reference: PMID:24357269
database_cross_reference: PMID:24924750
has_related_synonym: Pentanecarboxylic acid
database_cross_reference: Reaxys:773837
database_cross_reference: Wikipedia:Hexanoic_acid
database_cross_reference: YMDB:YMDB01424
has_related_synonym: butylacetic acid
has_related_synonym: caproic acid
has_related_synonym: capronic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: hexanoic acid
has_related_synonym: hexoic acid
has_related_synonym: n-Caproic acid
has_related_synonym: n-hexanoic acid
has_related_synonym: n-hexoic acid
has_related_synonym: n-hexylic acid
has_related_synonym: pentiformic acid
has_related_synonym: pentylformic acid
imported from: chebi.owl

gallic acid
type: Class
subclass of: trihydroxybenzoic acid
subclass of: Restriction
  on property: has role
  some values from: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: astringent
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: apoptosis inducer
subclass of: Restriction
  on property: has role
  some values from: cyclooxygenase 2 inhibitor
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: is conjugate acid of
  some values from: gallate
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: 170.11954
has_related_synonym: 3,4,5-Trihydroxybenzoic acid
has_related_synonym: 3,4,5-trihydroxybenzoic acid
has_exact_synonym: 3,4,5-trihydroxybenzoic acid
definition: A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5.
database_cross_reference: Beilstein:2050274
has_related_synonym: C7H6O5
database_cross_reference: CAS:149-91-7
has_alternative_id: CHEBI:24180
id: CHEBI:30778
has_alternative_id: CHEBI:5268
has_exact_synonym: Gallic acid
database_cross_reference: Gmelin:27336
database_cross_reference: HMDB:HMDB05807
has_related_synonym: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
database_cross_reference: KEGG:C01424
database_cross_reference: KNApSAcK:C00002647
database_cross_reference: LINCS:LSM-37191
has_related_synonym: LNTHITQWFMADLM-UHFFFAOYSA-N
database_cross_reference: MetaCyc:CPD-183
has_related_synonym: OC(=O)c1cc(O)c(O)c(O)c1
database_cross_reference: PMID:11032918
database_cross_reference: PMID:14598907
database_cross_reference: PMID:17426744
database_cross_reference: PMID:18314336
database_cross_reference: PMID:19812218
database_cross_reference: PMID:20441561
database_cross_reference: PMID:24010549
database_cross_reference: PMID:24342507
has_related_synonym: Pyrogallol-5-carboxylic acid
database_cross_reference: Reaxys:2050274
database_cross_reference: Wikipedia:Gallic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

succinate(1-)
type: Class
subclass of: succinate
subclass of: dicarboxylic acid monoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: succinic acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: succinate(2-)
has_related_synonym: 117.08010
has_exact_synonym: 3-carboxypropanoate
definition: A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxy groups of succinic acid.
database_cross_reference: Beilstein:3904279
has_related_synonym: Butanedioic acid, conjugate base
has_related_synonym: C4H5O4
id: CHEBI:30779
database_cross_reference: Gmelin:325292
has_related_synonym: HOOC-CH2-CH2-COO(-)
has_related_synonym: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1
has_related_synonym: KDYFGRWQOYBRFD-UHFFFAOYSA-M
has_related_synonym: OC(=O)CCC([O-])=O
database_cross_reference: Reaxys:3904279
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen succinate
imported from: chebi.owl

malonic acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: malonate(1-)
has_related_synonym: 104.06146
definition: An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
database_cross_reference: Beilstein:1751370
has_related_synonym: C3H4O4
database_cross_reference: CAS:141-82-2
has_alternative_id: CHEBI:25132
id: CHEBI:30794
has_alternative_id: CHEBI:44060
has_alternative_id: CHEBI:6660
database_cross_reference: DrugBank:DB02175
database_cross_reference: Gmelin:2550
has_related_synonym: H2malo
database_cross_reference: HMDB:HMDB00691
has_related_synonym: HOOC-CH2-COOH
has_related_synonym: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
database_cross_reference: KEGG:C00383
database_cross_reference: KNApSAcK:C00001193
database_cross_reference: LIPID_MAPS_instance:LMFA01170041
has_exact_synonym: MALONIC ACID
has_exact_synonym: Malonic acid
database_cross_reference: MetaCyc:MALONATE
has_related_synonym: OC(=O)CC(O)=O
has_related_synonym: OFOBLEOULBTSOW-UHFFFAOYSA-N
database_cross_reference: PDBeChem:MLA
database_cross_reference: PMID:22770225
has_related_synonym: Propanedioic acid
database_cross_reference: Reaxys:1751370
database_cross_reference: Wikipedia:Malonic_acid
has_obo_namespace: chebi_ontology
has_exact_synonym: propanedioic acid
imported from: chebi.owl

malonate(1-)
type: Class
subclass of: dicarboxylic acid monoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: malonic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: malonate(2-)
has_related_synonym: 103.05352
definition: A dicarboxylic acid monoanion that has formula C3H3O4.
database_cross_reference: Beilstein:3904186
has_related_synonym: C3H3O4
id: CHEBI:30795
database_cross_reference: Gmelin:324637
has_related_synonym: HOOC-CH2-COO(-)
has_related_synonym: Hmalo
has_related_synonym: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-1
has_related_synonym: Malonic acid, conjugate base
has_related_synonym: OC(=O)CC([O-])=O
has_related_synonym: OFOBLEOULBTSOW-UHFFFAOYSA-M
has_exact_synonym: carboxyacetate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phthalate(1-)
type: Class
subclass of: phthalate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phthalate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: phthalic acid
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: 165.12290
has_exact_synonym: 2-carboxybenzoate
definition: A phthalate that is the conjugate base of phthalic acid.
database_cross_reference: Beilstein:1876115
has_related_synonym: C8H5O4
id: CHEBI:30800
database_cross_reference: Gmelin:328025
has_related_synonym: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1
has_related_synonym: OC(=O)c1ccccc1C([O-])=O
database_cross_reference: Reaxys:1876115
has_related_synonym: XNGIFLGASWRNHJ-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen phthalate
imported from: chebi.owl

dodecanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: dodecanoate
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: dodecane
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-undecanecarboxylic acid
has_related_synonym: 200.31780
definition: A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.
has_related_synonym: ABL
database_cross_reference: Beilstein:1099477
has_related_synonym: C12 fatty acid
has_related_synonym: C12:0
has_related_synonym: C12H24O2
database_cross_reference: CAS:143-07-7
has_related_synonym: CCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]10-COOH
has_alternative_id: CHEBI:23864
has_alternative_id: CHEBI:23865
id: CHEBI:30805
has_alternative_id: CHEBI:41882
has_alternative_id: CHEBI:4680
has_related_synonym: Coconut oil fatty acids
has_related_synonym: DAO
has_exact_synonym: Dodecanoic acid
has_related_synonym: Dodecylcarboxylate
has_related_synonym: Dodecylic acid
database_cross_reference: DrugBank:DB03017
has_related_synonym: Duodecyclic acid
has_related_synonym: Duodecylic acid
database_cross_reference: Gmelin:103520
database_cross_reference: HMDB:HMDB00638
has_related_synonym: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
database_cross_reference: KEGG:C02679
database_cross_reference: KNApSAcK:C00001221
has_related_synonym: LAURIC ACID
database_cross_reference: LIPID_MAPS_instance:LMFA01010012
has_related_synonym: Lauric acid
has_related_synonym: Laurinsaeure
has_related_synonym: Laurostearic acid
database_cross_reference: MetaCyc:DODECANOATE
has_related_synonym: N-dodecanoic acid
database_cross_reference: PDBeChem:DAO
database_cross_reference: PMID:19387482
database_cross_reference: PMID:26884207
has_related_synonym: POULHZVOKOAJMA-UHFFFAOYSA-N
database_cross_reference: Reaxys:1099477
database_cross_reference: UM-BBD_compID:c0566
has_related_synonym: Undecane-1-carboxylic acid
has_related_synonym: Vulvic acid
database_cross_reference: Wikipedia:Lauric_acid
has_obo_namespace: chebi_ontology
has_exact_synonym: dodecanoic acid
has_related_synonym: dodecoic acid
has_related_synonym: lauric acid
has_related_synonym: n-dodecanoic acid
imported from: chebi.owl

tetradecanoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 14:0
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: tetradecanoic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 1-tetradecanecarboxylate
has_related_synonym: 227.364
definition: A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.
database_cross_reference: Beilstein:3589340
has_related_synonym: C(CCCCCCCC)CCCCC([O-])=O
has_related_synonym: C14H27O2
has_related_synonym: CH3-[CH2]12-COO(-)
id: CHEBI:30807
has_alternative_id: CHEBI:35292
database_cross_reference: Gmelin:335122
has_related_synonym: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1
database_cross_reference: KEGG:C06424
database_cross_reference: Reaxys:3589340
has_related_synonym: TUNFSRHWOTWDNC-UHFFFAOYSA-M
has_exact_synonym: Tetradecanoate
has_obo_namespace: chebi_ontology
has_related_synonym: myristate
has_related_synonym: n-tetradecan-1-oate
has_related_synonym: n-tetradecoate
has_exact_synonym: tetradecanoate
has_related_synonym: tetradecoate
imported from: chebi.owl

decanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: decane
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: decanoate
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
has_related_synonym: 1-nonanecarboxylic acid
has_related_synonym: 10:0
has_related_synonym: 172.265
definition: A C10, straight-chain saturated fatty acid.
database_cross_reference: Beilstein:1754556
has_related_synonym: C(CCCCCC)CCC(=O)O
has_related_synonym: C10:0
has_related_synonym: C10H20O2
database_cross_reference: CAS:334-48-5
has_related_synonym: CH3-[CH2]8-COOH
has_alternative_id: CHEBI:23572
id: CHEBI:30813
has_alternative_id: CHEBI:41906
has_alternative_id: CHEBI:4347
has_exact_synonym: DECANOIC ACID
has_related_synonym: Decanoate
has_exact_synonym: Decanoic acid
has_related_synonym: Decylic acid
has_related_synonym: Dekansaeure
database_cross_reference: DrugBank:DB03600
database_cross_reference: ECMDB:ECMDB21204
has_related_synonym: GHVNFZFCNZKVNT-UHFFFAOYSA-N
database_cross_reference: Gmelin:69184
database_cross_reference: HMDB:HMDB00511
has_related_synonym: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
database_cross_reference: KEGG:C01571
database_cross_reference: KNApSAcK:C00001213
has_related_synonym: Kaprinsaeure
database_cross_reference: LIPID_MAPS_instance:LMFA01010010
database_cross_reference: MetaCyc:CPD-3617
database_cross_reference: PDBeChem:DKA
database_cross_reference: PMID:19168249
database_cross_reference: PMID:20661498
database_cross_reference: PMID:24284257
database_cross_reference: PMID:24357269
database_cross_reference: YMDB:YMDB00677
has_related_synonym: capric acid
has_related_synonym: caprinic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: decanoic acid
has_related_synonym: decoic acid
has_related_synonym: n-Capric acid
has_related_synonym: n-decanoic acid
has_related_synonym: n-decoic acid
has_related_synonym: n-decylic acid
imported from: chebi.owl

vanillic acid
type: Class
subclass of: methoxybenzoic acid
subclass of: monohydroxybenzoic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: vanillate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 168.14672
has_related_synonym: 4-Hydroxy-3-methoxybenzoic acid
has_exact_synonym: 4-hydroxy-3-methoxybenzoic acid
definition: A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.
database_cross_reference: Beilstein:2208364
has_related_synonym: C8H8O4
database_cross_reference: CAS:121-34-6
has_alternative_id: CHEBI:27278
id: CHEBI:30816
has_alternative_id: CHEBI:9933
has_related_synonym: COc1cc(ccc1O)C(O)=O
database_cross_reference: DrugBank:DB02130
database_cross_reference: Gmelin:1472811
database_cross_reference: HMDB:HMDB00484
has_related_synonym: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
database_cross_reference: KEGG:C06672
database_cross_reference: KNApSAcK:C00002682
database_cross_reference: PDBeChem:VNL
database_cross_reference: PMID:20482617
database_cross_reference: PMID:24078147
database_cross_reference: PMID:24314059
has_exact_synonym: Vanillic acid
has_related_synonym: WKOLLVMJNQIZCI-UHFFFAOYSA-N
database_cross_reference: YMDB:YMDB01802
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oleate
type: Class
subclass of: octadec-9-enoate
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: oleic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (9Z)-octadec-9-enoate
has_related_synonym: (9Z)-octadecenoate
has_related_synonym: (Z)-9-octadecenoic acid, ion(1-)
has_related_synonym: 281.45342
definition: A C18, long straight-chain monounsaturated fatty acid anion; and the conjugate base of oleic acid, arising from deprotonation of the carboxylic acid group.
database_cross_reference: Beilstein:1913148
has_related_synonym: C18H33O2
database_cross_reference: CAS:115-06-0
has_related_synonym: CCCCCCCC\C=C/CCCCCCCC([O-])=O
has_alternative_id: CHEBI:14684
has_alternative_id: CHEBI:25663
id: CHEBI:30823
database_cross_reference: Gmelin:344067
has_related_synonym: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-
has_related_synonym: Oleat
database_cross_reference: PMID:12429352
database_cross_reference: Reaxys:1913148
has_related_synonym: ZQPPMHVWECSIRJ-KTKRTIGZSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: cis-9-octadecenoate
has_related_synonym: oleic acid anion
imported from: chebi.owl

2-furoic acid
type: Class
subclass of: furoic acid
subclass of: Restriction
  on property: has role
  some values from: bacterial xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: inhibitor
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 2-furoate
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 112.08350
has_exact_synonym: 2-FUROIC ACID
has_related_synonym: 2-Furancarboxylic acid
has_exact_synonym: 2-Furoic acid
has_related_synonym: 2-carboxyfuran
has_related_synonym: 2-furanoic acid
has_exact_synonym: 2-furoic acid
definition: A furoic acid having the carboxylic acid group located at position 2.
database_cross_reference: Beilstein:110149
has_related_synonym: C5H4O3
database_cross_reference: CAS:88-14-2
has_alternative_id: CHEBI:1101
has_alternative_id: CHEBI:19583
id: CHEBI:30845
has_alternative_id: CHEBI:42470
has_related_synonym: Furan-2-carbonsaeure
database_cross_reference: Gmelin:3056
database_cross_reference: HMDB:HMDB00617
has_related_synonym: InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
database_cross_reference: KEGG:C01546
database_cross_reference: KNApSAcK:C00000151
has_related_synonym: OC(=O)c1ccco1
database_cross_reference: PMID:12587683
database_cross_reference: PMID:16306695
database_cross_reference: PMID:18492059
database_cross_reference: PMID:19938546
database_cross_reference: PMID:20393580
database_cross_reference: PMID:22031465
database_cross_reference: PMID:23421908
has_related_synonym: Pyromucic acid
database_cross_reference: Reaxys:110149
has_related_synonym: SMNDYUVBFMFKNZ-UHFFFAOYSA-N
database_cross_reference: Wikipedia:2-Furoic_acid
has_related_synonym: acide 2-furoique
has_related_synonym: acido 2-furoico
has_related_synonym: alpha-furancarboxylic acid
has_related_synonym: alpha-furoic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: furan-2-carboxylic acid
imported from: chebi.owl

betulin
type: Class
subclass of: diol
subclass of: pentacyclic triterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: lupane
subclass of: Restriction
  on property: has role
  some values from: antiviral agent
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: analgesic
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_exact_synonym: (3beta)-lup-20(29)-ene-3,28-diol
has_related_synonym: 442.71680
definition: A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.
has_related_synonym: Betuline
has_related_synonym: Betulinol
has_related_synonym: Betulol
has_related_synonym: C30H50O2
database_cross_reference: CAS:473-98-3
id: CHEBI:3086
has_related_synonym: FVWJYYTZTCVBKE-ROUWMTJPSA-N
database_cross_reference: HMDB:HMDB36838
has_related_synonym: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
database_cross_reference: KEGG:C08618
database_cross_reference: KNApSAcK:C00003740
database_cross_reference: PMID:10075776
database_cross_reference: PMID:19222115
database_cross_reference: PMID:19537177
database_cross_reference: PMID:19821831
database_cross_reference: PMID:21537960
database_cross_reference: PMID:21598174
database_cross_reference: PMID:21643657
database_cross_reference: PMID:21647548
database_cross_reference: PMID:22864237
database_cross_reference: PMID:22978210
database_cross_reference: PMID:22978211
database_cross_reference: PMID:23017394
database_cross_reference: PMID:23158079
database_cross_reference: PMID:23203108
database_cross_reference: PMID:23267736
database_cross_reference: Reaxys:2064515
has_related_synonym: Trochol
database_cross_reference: Wikipedia:Betulin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

betulinic acid
type: Class
subclass of: pentacyclic triterpenoid
subclass of: hydroxy monocarboxylic acid
subclass of: Restriction
  on property: has parent hydride
  some values from: lupane
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: anti-HIV agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
subclass of: Restriction
  on property: has role
  some values from: antimalarial
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
has_exact_synonym: 3beta-hydroxylup-20(29)-en-28-oic acid
has_related_synonym: 456.70030
definition: A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties.
has_exact_synonym: Betulinic acid
has_related_synonym: C30H48O3
database_cross_reference: CAS:472-15-1
id: CHEBI:3087
has_alternative_id: CHEBI:65491
database_cross_reference: HMDB:HMDB30094
has_related_synonym: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
database_cross_reference: KEGG:C08619
database_cross_reference: KNApSAcK:C00003741
database_cross_reference: LIPID_MAPS_instance:LMPR0106140004
has_related_synonym: Mairin
database_cross_reference: PMID:14595673
database_cross_reference: PMID:15083202
database_cross_reference: PMID:20075711
database_cross_reference: PMID:7489361
database_cross_reference: PMID:8176401
database_cross_reference: Patent:RU2445317
database_cross_reference: Patent:RU2458933
database_cross_reference: Patent:US2012237629
has_related_synonym: QGJZLNKBHJESQX-FZFNOLFKSA-N
database_cross_reference: Reaxys:2711110
database_cross_reference: Wikipedia:Betulinic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alcohol
type: Class
subclass of: organic hydroxy compound
definition: A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.
has_exact_synonym: Alcohol
has_alternative_id: CHEBI:13804
has_alternative_id: CHEBI:22288
has_alternative_id: CHEBI:2553
id: CHEBI:30879
has_related_synonym: HOR
database_cross_reference: KEGG:C00069
has_related_synonym: O[*]
has_exact_synonym: alcohols
has_related_synonym: an alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-oxoglutaric acid
type: Class
subclass of: oxo dicarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: glutaric acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 2-oxoglutarate(1-)
has_related_synonym: 146.09810
has_related_synonym: 2-Ketoglutaric acid
has_exact_synonym: 2-oxopentanedioic acid
definition: An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle.
database_cross_reference: Beilstein:1705689
has_related_synonym: C5H6O5
database_cross_reference: CAS:328-50-7
has_alternative_id: CHEBI:1253
has_alternative_id: CHEBI:19749
id: CHEBI:30915
has_alternative_id: CHEBI:40661
database_cross_reference: DrugBank:DB02926
database_cross_reference: Gmelin:602480
database_cross_reference: HMDB:HMDB00208
has_related_synonym: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
database_cross_reference: KEGG:C00026
database_cross_reference: KNApSAcK:C00000769
has_related_synonym: KPGXRSRHYNQIFN-UHFFFAOYSA-N
database_cross_reference: MetaCyc:2-KETOGLUTARATE
has_related_synonym: OC(=O)CCC(=O)C(O)=O
has_related_synonym: Oxoglutaric acid
database_cross_reference: PDBeChem:AKG
database_cross_reference: PMID:17439666
database_cross_reference: PMID:18990406
database_cross_reference: PMID:20155414
database_cross_reference: PMID:20200292
database_cross_reference: PMID:20583149
database_cross_reference: PMID:20636327
database_cross_reference: PMID:21964641
database_cross_reference: Reaxys:1705689
database_cross_reference: Wikipedia:Alpha-Ketoglutaric_acid
has_related_synonym: alpha-Ketoglutaric acid
has_related_synonym: alpha-ketoglutaric acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-oxoglutarate(1-)
type: Class
subclass of: dicarboxylic acid monoanion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: 2-oxoglutaric acid
subclass of: Restriction
  on property: has functional parent
  some values from: glutarate(1-)
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 2-oxoglutarate(2-)
has_related_synonym: 145.09020
has_related_synonym: 2-ketoglutarate
has_exact_synonym: 4-carboxy-2-oxobutanoate
definition: A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid.
database_cross_reference: Beilstein:4132418
has_related_synonym: C5H5O5
id: CHEBI:30916
database_cross_reference: Gmelin:2159365
has_related_synonym: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-1
has_related_synonym: KPGXRSRHYNQIFN-UHFFFAOYSA-M
has_related_synonym: OC(=O)CCC(=O)C([O-])=O
database_cross_reference: Reaxys:4132418
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glutarate(2-)
type: Class
subclass of: glutarate
subclass of: dicarboxylic acid dianion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: glutarate(1-)
has_related_synonym: 130.09874
definition: A dicarboxylic acid dianion obtained by deprotonation of both the carboxy groups of glutaric acid.
database_cross_reference: Beilstein:3904695
has_related_synonym: C5H6O4
has_alternative_id: CHEBI:14322
has_alternative_id: CHEBI:24327
id: CHEBI:30921
database_cross_reference: Gmelin:240388
has_related_synonym: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2
has_related_synonym: JFCQEDHGNNZCLN-UHFFFAOYSA-L
database_cross_reference: Reaxys:3904695
has_related_synonym: [O-]C(=O)CCCC([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: glutarate
has_exact_synonym: pentanedioate
imported from: chebi.owl

2,3-dihydroxybutanedioate
type: Class
subclass of: tartrate
subclass of: C4-dicarboxylate
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-carboxy-2,3-dihydroxypropanoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: 148.07096
has_exact_synonym: 2,3-dihydroxybutanedioate
has_related_synonym: 2,3-dihydroxysuccinate
definition: A tartaric acid anion that is the conjugate base of 3-carboxy-2,3-dihydroxypropanoate.
database_cross_reference: Beilstein:1876435
has_related_synonym: C4H4O6
has_alternative_id: CHEBI:26850
id: CHEBI:30929
has_related_synonym: FEWJPZIEWOKRBE-UHFFFAOYSA-L
has_related_synonym: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2
has_related_synonym: OC(C(O)C([O-])=O)C([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: tartrate
imported from: chebi.owl

octacosanoic acid
type: Class
subclass of: very long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: octacosanoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-octacosanoic acid
has_related_synonym: 424.744
definition: A C28, very long straight-chain, saturated fatty acid.
database_cross_reference: Beilstein:1801616
has_related_synonym: C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)=O
has_related_synonym: C28H56O2
database_cross_reference: CAS:506-48-9
has_related_synonym: CH3-[CH2]26-COOH
has_alternative_id: CHEBI:132862
id: CHEBI:31001
database_cross_reference: HMDB:HMDB02348
database_cross_reference: LIPID_MAPS_instance:LMFA01010028
has_related_synonym: Octacosancarbonsaeure
has_related_synonym: Octacosansaeure
database_cross_reference: PMID:15376388
database_cross_reference: PMID:15847942
database_cross_reference: PMID:24218964
database_cross_reference: PMID:2474624
database_cross_reference: Reaxys:1801616
has_related_synonym: UTOPWMOLSKOLTQ-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Montanic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: montanic acid
has_related_synonym: n-octacosanoic acid
has_related_synonym: n-octaeicosanoic acid
has_exact_synonym: octacosanoic acid
has_related_synonym: octacosoic acid
has_related_synonym: octaeicosanoic acid
imported from: chebi.owl

octacosanoate
type: Class
subclass of: very long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 28:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: octacosanoic acid
has_related_synonym: 1-octacosanoate
has_related_synonym: 423.736
definition: A very long straight-chain saturated fatty acid anion and the conjugate base of octacosanoic acid (montanic acid), arising from deprotonation of the carboxy group.
has_related_synonym: C(CCCCCCCCCCCCCCCC)CCCCCCCCCCC([O-])=O
has_related_synonym: C28H55O2
has_related_synonym: CH3-[CH2]26-COO(-)
id: CHEBI:31002
database_cross_reference: PMID:15513825
has_related_synonym: UTOPWMOLSKOLTQ-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: montanate
has_related_synonym: n-octacosanoate
has_exact_synonym: octacosanoate
has_related_synonym: octaeicosanoate
imported from: chebi.owl

melissic acid
type: Class
subclass of: very long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: melissate
has_related_synonym: 1-triacontanoic acid
has_related_synonym: 452.79620
definition: A C30, very long straight-chain, saturated fatty acid.
database_cross_reference: Beilstein:1803689
has_related_synonym: C30H60O2
database_cross_reference: CAS:506-50-3
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]28-COOH
id: CHEBI:31003
database_cross_reference: Gmelin:1622816
database_cross_reference: LIPID_MAPS_instance:LMFA01010030
database_cross_reference: Reaxys:1803689
has_related_synonym: Triacontansaeure
has_related_synonym: VHOCUJPBKOZGJD-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: melissic acid
has_related_synonym: myricic acid
has_related_synonym: n-triacontanoic acid
has_exact_synonym: triacontanoic acid
has_related_synonym: triacontoic acid
imported from: chebi.owl

melissate
type: Class
subclass of: very long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 30:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: melissic acid
has_related_synonym: 451.78826
definition: A very long straight-chain saturated fatty acid anion that is the conjugate base of melissic acid, arising from deprotonation of the carboxylic acid group.
has_related_synonym: C30H59O2
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]28-COO(-)
id: CHEBI:31004
database_cross_reference: Gmelin:383247
has_related_synonym: Triacontanoat
has_related_synonym: VHOCUJPBKOZGJD-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: n-triacontanoate
has_exact_synonym: triacontanoate
has_related_synonym: triacontanoate
has_related_synonym: triacontoate
imported from: chebi.owl

hexacosanoic acid
type: Class
subclass of: very long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cerotate
has_related_synonym: 396.68990
definition: A 26-carbon, straight-chain, saturated fatty acid.
database_cross_reference: Beilstein:1799681
has_related_synonym: C26:0
has_related_synonym: C26H52O2
database_cross_reference: CAS:506-46-7
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]24-COOH
id: CHEBI:31009
database_cross_reference: Gmelin:374172
has_related_synonym: Hexacosansaeure
database_cross_reference: LIPID_MAPS_instance:LMFA01010026
database_cross_reference: PMID:1911873
database_cross_reference: PMID:19135040
database_cross_reference: Reaxys:1799681
has_related_synonym: XMHIUKTWLZUKEX-UHFFFAOYSA-N
has_related_synonym: ceratinic acid
has_related_synonym: ceric acid
has_related_synonym: cerinic acid
has_related_synonym: cerotic acid
has_related_synonym: cerylic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: hexacosanoic acid
has_related_synonym: hexacosoic acid
has_related_synonym: hexaeicosanoic acid
has_related_synonym: n-C26:0
has_related_synonym: n-hexacosanoic acid
imported from: chebi.owl

cerotate
type: Class
subclass of: very long-chain fatty acid anion
subclass of: fatty acid anion 26:0
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: hexacosanoic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 395.68190
has_related_synonym: C26H51O2
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]24-COO(-)
id: CHEBI:31013
database_cross_reference: Gmelin:374171
database_cross_reference: PMID:3244051
definition: The conjugate base of cerotic acid.
has_related_synonym: XMHIUKTWLZUKEX-UHFFFAOYSA-M
has_related_synonym: cerate
has_related_synonym: ceratinate
has_related_synonym: cerinate
has_exact_synonym: cerotate
has_related_synonym: cerylate
has_obo_namespace: chebi_ontology
has_exact_synonym: hexacosanoate
has_related_synonym: hexacosanoate
has_related_synonym: n-hexacosanoate
imported from: chebi.owl

lignocerate
type: Class
subclass of: very long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 24:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: tetracosanoic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 367.62880
definition: A straight-chain saturated fatty acid anion that is the conjugate base of lignoceric acid, formed by deprotonation of the carboxy group.
has_related_synonym: C24H47O2
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]22-COO(-)
id: CHEBI:31014
database_cross_reference: Gmelin:373325
has_related_synonym: Lignocerat
database_cross_reference: MetaCyc:TETRACOSANOATE
has_related_synonym: QZZGJDVWLFXDLK-UHFFFAOYSA-M
has_related_synonym: Tetracosanoat
has_obo_namespace: chebi_ontology
has_exact_synonym: lignocerate
has_related_synonym: n-tetracosanoate
has_related_synonym: tetracosanate
has_related_synonym: tetracosanoate
has_exact_synonym: tetracosanoate
has_related_synonym: tetracosoate
has_related_synonym: tetraeicosanoate
imported from: chebi.owl

Bornyl acetate
type: Class
subclass of: monoterpenoid
has_related_synonym: (1R,2S,4R)-(+)-Bornyl acetate
has_related_synonym: 196.286
definition: A monoterpenoid that has formula C12H20O2.
has_exact_synonym: Bornyl acetate
has_related_synonym: C12H20O2
database_cross_reference: CAS:20347-65-3
has_related_synonym: CC(=O)O[C@H]1CC2CCC1(C)C2(C)C
id: CHEBI:3151
has_related_synonym: InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1
database_cross_reference: KEGG:C11338
database_cross_reference: KEGG:D09740
has_related_synonym: KGEKLUUHTZCSIP-YZRBJQDESA-N
database_cross_reference: KNApSAcK:C00000842
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Brucine
type: Class
subclass of: monoterpenoid indole alkaloid
has_related_synonym: 394.464
definition: A monoterpenoid indole alkaloid that has formula C23H26N2O4.
has_exact_synonym: Brucine
has_related_synonym: C23H26N2O4
database_cross_reference: CAS:357-57-3
id: CHEBI:3193
has_related_synonym: InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
database_cross_reference: KEGG:C09084
database_cross_reference: KNApSAcK:C00001695
database_cross_reference: LINCS:LSM-5758
has_related_synonym: RRKTZKIUPZVBMF-IBTVXLQLSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

stearyl alcohol
type: Class
subclass of: long-chain primary fatty alcohol
subclass of: fatty alcohol 18:0
subclass of: Restriction
  on property: has parent hydride
  some values from: octadecane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 1-hydroxyoctadecane
has_related_synonym: 1-octadecanol
has_related_synonym: 270.49372
definition: A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms.
database_cross_reference: Beilstein:1362907
has_related_synonym: C18H38O
database_cross_reference: CAS:112-92-5
has_related_synonym: CCCCCCCCCCCCCCCCCCO
id: CHEBI:32154
has_related_synonym: GLDOVTGHNKAZLK-UHFFFAOYSA-N
database_cross_reference: HMDB:HMDB02350
has_related_synonym: InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
database_cross_reference: KEGG:D01924
database_cross_reference: LIPID_MAPS_instance:LMFA05000085
database_cross_reference: MetaCyc:CPD-7873
database_cross_reference: PMID:21137365
database_cross_reference: Reaxys:1362907
has_related_synonym: Stearylalkohol
database_cross_reference: Wikipedia:Stearyl_alcohol
has_obo_namespace: chebi_ontology
has_related_synonym: n-1-octadecanol
has_related_synonym: n-octadecanol
has_related_synonym: n-octadecyl alcohol
has_related_synonym: octadecan-1-ol
has_exact_synonym: octadecan-1-ol
has_related_synonym: octadecanol
has_exact_synonym: stearyl alcohol
imported from: chebi.owl

nonanoate
type: Class
subclass of: straight-chain saturated fatty acid anion
subclass of: medium-chain fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: nonanoic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-nonanoate
has_related_synonym: 1-octanecarboxylate
has_related_synonym: 157.23060
definition: A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity.
database_cross_reference: Beilstein:3904165
has_related_synonym: C9H17O2
has_related_synonym: CCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]7-COO(-)
id: CHEBI:32361
has_related_synonym: FBUKVWPVBMHYJY-UHFFFAOYSA-M
database_cross_reference: Gmelin:329987
has_related_synonym: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1
has_obo_namespace: chebi_ontology
has_related_synonym: n-nonanoate
has_exact_synonym: nonanoate
has_related_synonym: nonoate
has_related_synonym: nonylate
has_related_synonym: pelargate
has_related_synonym: pelargonate
has_related_synonym: pergonate
imported from: chebi.owl

heptanoate
type: Class
subclass of: straight-chain saturated fatty acid anion
subclass of: medium-chain fatty acid anion
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: heptanoic acid
has_related_synonym: (7:0)
has_related_synonym: 1-hexanecarboxylate
has_related_synonym: 129.17692
definition: A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.
database_cross_reference: Beilstein:3903940
has_related_synonym: C7H13O2
database_cross_reference: CAS:7563-37-3
has_related_synonym: CCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]5-COO(-)
id: CHEBI:32362
database_cross_reference: Gmelin:327115
has_related_synonym: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
has_related_synonym: MNWFXJYAOYHMED-UHFFFAOYSA-M
database_cross_reference: MetaCyc:CPD-7619
database_cross_reference: PMID:16141384
database_cross_reference: Reaxys:3903940
has_obo_namespace: chebi_ontology
has_related_synonym: enanthate
has_related_synonym: enanthylate
has_exact_synonym: heptanoate
has_related_synonym: heptanoic acid, ion(1-)
has_related_synonym: heptoate
has_related_synonym: heptylate
has_related_synonym: n-heptanoate
has_related_synonym: n-heptoate
has_related_synonym: n-heptylate
has_related_synonym: oenanthate
has_related_synonym: oenanthylate
imported from: chebi.owl

undecanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: has role
  some values from: antifungal agent
subclass of: Restriction
  on property: has parent hydride
  some values from: undecane
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: undecanoate
has_related_synonym: 1-decanecarboxylic acid
has_related_synonym: 186.29120
definition: A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series.
database_cross_reference: Beilstein:1759287
has_related_synonym: C11H22O2
database_cross_reference: CAS:112-37-8
has_related_synonym: CCCCCCCCCCC(O)=O
has_related_synonym: CH3-[CH2]9-COOH
id: CHEBI:32368
database_cross_reference: Gmelin:102992
database_cross_reference: HMDB:HMDB00947
has_related_synonym: Hendecanoic acid
has_related_synonym: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
database_cross_reference: KEGG:C17715
database_cross_reference: LIPID_MAPS_instance:LMFA01010011
database_cross_reference: PDBeChem:11A
database_cross_reference: PMID:16332663
database_cross_reference: PMID:1739406
database_cross_reference: PMID:18516670
database_cross_reference: Reaxys:1759287
has_related_synonym: UDA
has_related_synonym: Undekansaeure
database_cross_reference: Wikipedia:Undecylic_acid
has_related_synonym: ZDPHROOEEOARMN-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: hendecanoic acid
has_related_synonym: n-undecanoic acid
has_related_synonym: n-undecoic acid
has_related_synonym: n-undecylic acid
has_exact_synonym: undecanoic acid
has_related_synonym: undecoic acid
has_related_synonym: undecylic acid
imported from: chebi.owl

undecanoate
type: Class
subclass of: straight-chain saturated fatty acid anion
subclass of: medium-chain fatty acid anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: undecanoic acid
has_related_synonym: 1-decanecarboxylate
has_related_synonym: 185.28324
definition: A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3.
database_cross_reference: Beilstein:3904444
has_related_synonym: C11H21O2
has_related_synonym: CCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]9-COO(-)
id: CHEBI:32369
database_cross_reference: Gmelin:331364
has_related_synonym: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/p-1
database_cross_reference: PMID:1619029
database_cross_reference: PMID:18852533
database_cross_reference: PMID:7711892
has_related_synonym: ZDPHROOEEOARMN-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: hendecanoate
has_related_synonym: n-undecanoate
has_related_synonym: n-undecoate
has_related_synonym: n-undecylate
has_exact_synonym: undecanoate
has_related_synonym: undecoate
has_related_synonym: undecylate
imported from: chebi.owl

catecholate(2-)
type: Class
subclass of: phenolate anion
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: catecholate(1-)
has_related_synonym: 108.09476
definition: A phenolate anion that is the conjugate base of catecholate(1-).
database_cross_reference: Beilstein:3904566
has_related_synonym: C6H4O2
id: CHEBI:32402
database_cross_reference: Gmelin:325876
has_related_synonym: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-2
database_cross_reference: Reaxys:3904566
has_related_synonym: YCIMNLLNPGFGHC-UHFFFAOYSA-L
has_related_synonym: [O-]c1ccccc1[O-]
has_exact_synonym: benzene-1,2-diolate
has_related_synonym: cat
has_related_synonym: catecholate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alaninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: alanine
has_exact_synonym: 2-aminopropanoate
has_related_synonym: 88.08528
definition: An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group.
database_cross_reference: Beilstein:3903719
has_related_synonym: C3H6NO2
has_related_synonym: CC(N)C([O-])=O
id: CHEBI:32439
database_cross_reference: Gmelin:101040
has_related_synonym: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1
has_related_synonym: QNAYBMKLOCPYGJ-UHFFFAOYSA-M
has_exact_synonym: alaninate
has_related_synonym: alanine anion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alaninium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: alanine
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: 1-carboxyethanaminium
has_related_synonym: 90.10116
definition: An alpha-amino-acid cation that is the conjugate acid of alanine.
has_related_synonym: C3H8NO2
has_related_synonym: CC([NH3+])C(O)=O
id: CHEBI:32440
database_cross_reference: Gmelin:362663
has_related_synonym: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1
has_related_synonym: QNAYBMKLOCPYGJ-UHFFFAOYSA-O
has_related_synonym: alanine cation
has_exact_synonym: alaninium
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cysteinate(1-)
type: Class
subclass of: alpha-amino-acid anion
subclass of: sulfur-containing amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: cysteine
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cysteinate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: cysteine zwitterion
has_related_synonym: 120.15128
has_related_synonym: 2-amino-3-mercaptopropanoate
has_related_synonym: 2-amino-3-sulfanylpropanoate
definition: A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.
database_cross_reference: Beilstein:4128885
has_related_synonym: C3H6NO2S
id: CHEBI:32456
database_cross_reference: Gmelin:363235
has_related_synonym: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1
has_related_synonym: NC(CS)C([O-])=O
database_cross_reference: Reaxys:4128885
has_related_synonym: XUJNEKJLAYXESH-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: cys(-)
has_exact_synonym: cysteinate(1-)
has_related_synonym: cysteine monoanion
has_exact_synonym: hydrogen cysteinate
imported from: chebi.owl

cysteinate(2-)
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: cysteinate(1-)
has_related_synonym: 119.14334
has_related_synonym: 2-amino-3-sulfidopropanoate
definition: An alpha-amino-acid anion that has formula C3H5NO2S.
has_related_synonym: C3H5NO2S
id: CHEBI:32457
database_cross_reference: Gmelin:49990
has_related_synonym: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2
has_related_synonym: NC(C[S-])C([O-])=O
has_related_synonym: XUJNEKJLAYXESH-UHFFFAOYSA-L
has_obo_namespace: chebi_ontology
has_exact_synonym: cysteinate
has_exact_synonym: cysteinate(2-)
has_related_synonym: cysteine dianion
imported from: chebi.owl

cysteinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cysteine zwitterion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cysteine
has_related_synonym: 1-carboxy-2-mercaptoethanaminium
has_exact_synonym: 1-carboxy-2-sulfanylethanaminium
has_related_synonym: 122.16716
definition: An alpha-amino-acid cation that has formula C3H8NO2S.
has_related_synonym: C3H8NO2S
id: CHEBI:32458
database_cross_reference: Gmelin:325859
has_related_synonym: H2cys(+)
has_related_synonym: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1
has_related_synonym: XUJNEKJLAYXESH-UHFFFAOYSA-O
has_related_synonym: [NH3+]C(CS)C(O)=O
has_obo_namespace: chebi_ontology
has_related_synonym: cysteine cation
has_exact_synonym: cysteinium
imported from: chebi.owl

phenylalaninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: aromatic amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: phenylalanine
has_related_synonym: 164.18120
has_related_synonym: 2-amino-3-phenylpropanoate
definition: An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group.
has_related_synonym: C9H10NO2
id: CHEBI:32504
has_related_synonym: COLNVLDHVKWLRT-UHFFFAOYSA-M
database_cross_reference: Gmelin:329083
has_related_synonym: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1
has_related_synonym: NC(Cc1ccccc1)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: phenylalaninate
has_related_synonym: phenylalanine anion
imported from: chebi.owl

phenylalaninium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phenylalanine
has_related_synonym: 1-carboxy-2-phenylethanaminium
has_related_synonym: 166.19710
definition: An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group.
has_related_synonym: C9H12NO2
id: CHEBI:32505
has_related_synonym: COLNVLDHVKWLRT-UHFFFAOYSA-O
has_related_synonym: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1
has_related_synonym: [NH3+]C(Cc1ccccc1)C(O)=O
has_obo_namespace: chebi_ontology
has_related_synonym: phenylalanine cation
has_exact_synonym: phenylalaninium
imported from: chebi.owl

glycinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glycine
has_related_synonym: 76.07458
definition: An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino.
has_related_synonym: C2H6NO2
id: CHEBI:32507
has_related_synonym: DHMQDGOQFOQNFH-UHFFFAOYSA-O
database_cross_reference: Gmelin:323509
has_related_synonym: H2gly(+)
has_related_synonym: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1
has_related_synonym: NH3(+)-CH2-COOH
has_related_synonym: [NH3+]CC(O)=O
has_related_synonym: carboxymethanaminium
has_obo_namespace: chebi_ontology
has_related_synonym: glycine cation
has_exact_synonym: glycinium
imported from: chebi.owl

glycinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: glycine
has_related_synonym: 74.05870
definition: An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group.
database_cross_reference: Beilstein:1852023
has_related_synonym: C2H4NO2
id: CHEBI:32508
has_related_synonym: DHMQDGOQFOQNFH-UHFFFAOYSA-M
database_cross_reference: Gmelin:81890
has_related_synonym: H2N-CH2-COO(-)
has_related_synonym: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1
has_related_synonym: NCC([O-])=O
database_cross_reference: Reaxys:1852023
database_cross_reference: UM-BBD_compID:c0559
has_related_synonym: aminoacetate
has_obo_namespace: chebi_ontology
has_related_synonym: gly(-)
has_exact_synonym: glycinate
has_related_synonym: glycine anion
imported from: chebi.owl

histidinate(1-)
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: histidine
subclass of: Restriction
  on property: is conjugate acid of
  some values from: histidinate(2-)
has_related_synonym: 154.14660
has_related_synonym: 2-amino-3-(1H-imidazol-4-yl)propanoate
definition: An alpha-amino-acid anion that has formula C6H8N3O2.
database_cross_reference: Beilstein:3959092
has_related_synonym: C6H8N3O2
id: CHEBI:32529
database_cross_reference: Gmelin:364417
has_related_synonym: HNDVDQJCIGZPNO-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1
has_related_synonym: NC(Cc1c[nH]cn1)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: histidinate(1-)
has_related_synonym: histidine anion
has_exact_synonym: hydrogen histidinate
imported from: chebi.owl

histidinate(2-)
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: histidinate(1-)
has_related_synonym: 153.13880
has_related_synonym: 2-amino-3-imidazol-1-id-4-ylpropanoate
definition: An alpha-amino-acid anion that has formula C6H7N3O2.
has_related_synonym: C6H7N3O2
id: CHEBI:32530
has_related_synonym: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,9,10,11)/p-2
has_related_synonym: NC(Cc1c[n-]cn1)C([O-])=O
has_related_synonym: TWRZMXZXJKNOLO-UHFFFAOYSA-L
has_obo_namespace: chebi_ontology
has_exact_synonym: histidinate
has_exact_synonym: histidinate(2-)
has_related_synonym: histidine dianion
imported from: chebi.owl

histidinium(1+)
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: histidine
subclass of: Restriction
  on property: is conjugate base of
  some values from: histidinium(2+)
has_related_synonym: 156.16262
has_related_synonym: 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate
definition: An alpha-amino-acid cation that has formula C6H10N3O2.
has_related_synonym: C6H10N3O2
id: CHEBI:32531
has_related_synonym: HNDVDQJCIGZPNO-UHFFFAOYSA-O
has_related_synonym: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1
has_related_synonym: [NH3+]C(Cc1c[nH]c[nH+]1)C([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: histidine monocation
has_exact_synonym: histidinium
has_exact_synonym: histidinium(1+)
imported from: chebi.owl

histidinium(2+)
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: histidinium(1+)
has_related_synonym: 157.17056
has_related_synonym: 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium
definition: An alpha-amino-acid cation that has formula C6H11N3O2.
has_related_synonym: C6H11N3O2
id: CHEBI:32532
database_cross_reference: Gmelin:1151904
has_related_synonym: HNDVDQJCIGZPNO-UHFFFAOYSA-P
has_related_synonym: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2
has_related_synonym: [NH3+]C(Cc1c[nH]c[nH+]1)C(O)=O
has_obo_namespace: chebi_ontology
has_related_synonym: histidine dication
has_exact_synonym: histidinediium
has_exact_synonym: histidinium(2+)
imported from: chebi.owl

nicotinate
type: Class
subclass of: pyridinemonocarboxylate
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: nicotinic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 122.10150
has_related_synonym: 3-pyridinecarboxylate
definition: A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
database_cross_reference: Beilstein:3539722
has_related_synonym: C6H4NO2
has_alternative_id: CHEBI:14650
has_alternative_id: CHEBI:22851
has_alternative_id: CHEBI:25530
id: CHEBI:32544
database_cross_reference: Gmelin:327384
has_related_synonym: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1
database_cross_reference: MetaCyc:NIACINE
database_cross_reference: PMID:17190852
database_cross_reference: PMID:21742010
database_cross_reference: PMID:21953179
has_related_synonym: PVNIIMVLHYAWGP-UHFFFAOYSA-M
database_cross_reference: Reaxys:3539722
has_related_synonym: [O-]C(=O)c1cccnc1
has_obo_namespace: chebi_ontology
has_exact_synonym: nicotinate
has_exact_synonym: pyridine-3-carboxylate
imported from: chebi.owl

barium atom
type: Class
subclass of: alkaline earth metal atom
has_related_synonym: 137.32700
has_related_synonym: 56Ba
definition: An alkaline earth metal atom that has formula Ba.
has_related_synonym: Ba
has_related_synonym: Barium
id: CHEBI:32594
has_related_synonym: DSAJWYNOEDNPEQ-UHFFFAOYSA-N
has_related_synonym: InChI=1S/Ba
database_cross_reference: WebElements:Ba
has_related_synonym: [Ba]
has_related_synonym: bario
has_exact_synonym: barium
has_related_synonym: barium
has_related_synonym: baryum
has_obo_namespace: chebi_ontology
imported from: chebi.owl

isoleucinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: isoleucine
id: CHEBI:32612
database_cross_reference: Gmelin:101585
has_obo_namespace: chebi_ontology
has_related_synonym: ile(-)
has_exact_synonym: isoleucinate
has_related_synonym: isoleucine anion
has_related_synonym: rel-(2R,3R)-2-amino-3-methylpentanoate
imported from: chebi.owl

isoleucinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: isoleucine
id: CHEBI:32613
database_cross_reference: Gmelin:1651827
has_related_synonym: H2ile(+)
has_obo_namespace: chebi_ontology
has_related_synonym: isoleucine cation
has_exact_synonym: isoleucinium
has_related_synonym: rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium
imported from: chebi.owl

leucinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: branched-chain amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: leucine
has_related_synonym: 130.16502
has_related_synonym: 2-amino-4-methylpentanoate
definition: An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group.
has_related_synonym: C6H12NO2
has_related_synonym: CC(C)CC(N)C([O-])=O
id: CHEBI:32627
has_related_synonym: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1
has_related_synonym: ROHFNLRQFUQHCH-UHFFFAOYSA-M
database_cross_reference: Reaxys:5245805
has_obo_namespace: chebi_ontology
has_related_synonym: leu(-)
has_exact_synonym: leucinate
has_related_synonym: leucine anion
imported from: chebi.owl

leucinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: leucine
has_related_synonym: 1-carboxy-3-methylbutan-1-aminium
has_related_synonym: 132.18090
definition: An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group.
has_related_synonym: C6H14NO2
has_related_synonym: CC(C)CC([NH3+])C(O)=O
id: CHEBI:32628
database_cross_reference: Gmelin:1651836
has_related_synonym: H2leu(+)
has_related_synonym: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1
has_related_synonym: ROHFNLRQFUQHCH-UHFFFAOYSA-O
has_obo_namespace: chebi_ontology
has_related_synonym: leucine cation
has_exact_synonym: leucinium
imported from: chebi.owl

methioninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: sulfur-containing amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: methionine
has_related_synonym: 148.20444
has_related_synonym: 2-amino-4-(methylsulfanyl)butanoate
definition: A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group.
database_cross_reference: Beilstein:3937270
has_related_synonym: C5H10NO2S
id: CHEBI:32644
has_related_synonym: CSCCC(N)C([O-])=O
has_related_synonym: FFEARJCKVFRZRR-UHFFFAOYSA-M
database_cross_reference: Gmelin:326565
has_related_synonym: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1
database_cross_reference: Reaxys:3937270
has_obo_namespace: chebi_ontology
has_related_synonym: met(-)
has_exact_synonym: methioninate
has_related_synonym: methionine anion
imported from: chebi.owl

methioninium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: methionine
has_related_synonym: 1-carboxy-3-(methylsulfanyl)propan-1-aminium
has_related_synonym: 150.22032
definition: A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group.
has_related_synonym: C5H12NO2S
id: CHEBI:32646
has_related_synonym: CSCCC([NH3+])C(O)=O
has_related_synonym: FFEARJCKVFRZRR-UHFFFAOYSA-O
database_cross_reference: Gmelin:326567
has_related_synonym: H2met(+)
has_related_synonym: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1
has_obo_namespace: chebi_ontology
has_related_synonym: methionine cation
has_exact_synonym: methioninium
imported from: chebi.owl

argininate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: arginine
has_related_synonym: 173.19318
has_related_synonym: 2-amino-5-(carbamimidamido)pentanoate
has_related_synonym: 2-amino-5-guanidinopentanoate
definition: An alpha-amino-acid anion that has formula C6H13N4O2.
has_related_synonym: C6H13N4O2
id: CHEBI:32695
database_cross_reference: Gmelin:603497
has_related_synonym: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1
has_related_synonym: NC(CCCNC(N)=N)C([O-])=O
has_related_synonym: ODKSFYDXXFIFQN-UHFFFAOYSA-M
has_related_synonym: arg(-)
has_exact_synonym: argininate
has_related_synonym: arginine anion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

argininium(1+)
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: arginine
subclass of: Restriction
  on property: is conjugate base of
  some values from: argininium(2+)
has_related_synonym: 175.20906
has_related_synonym: 2-ammonio-5-guanidiniopentanoate
definition: An alpha-amino-acid cation that has formula C6H15N4O2.
has_related_synonym: C6H15N4O2
id: CHEBI:32696
database_cross_reference: Gmelin:1345599
has_related_synonym: H2arg(+)
has_related_synonym: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1
has_related_synonym: NC(=[NH2+])NCCCC([NH3+])C([O-])=O
has_related_synonym: ODKSFYDXXFIFQN-UHFFFAOYSA-O
has_related_synonym: arginine
has_related_synonym: arginine monocation
has_exact_synonym: argininium
has_exact_synonym: argininium(1+)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

argininium(2+)
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: argininium(1+)
has_related_synonym: (1-carboxy-4-guanidiniobutyl)ammonium
has_related_synonym: 176.21700
definition: An alpha-amino-acid cation that has formula C6H16N4O2.
has_related_synonym: C6H16N4O2
id: CHEBI:32697
has_related_synonym: H3arg(2+)
has_related_synonym: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2
has_related_synonym: NC(=[NH2+])NCCCC([NH3+])C(O)=O
has_related_synonym: ODKSFYDXXFIFQN-UHFFFAOYSA-P
has_related_synonym: arginine dication
has_exact_synonym: argininediium
has_exact_synonym: argininium(2+)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

L-threoninate
type: Class
subclass of: threoninate
subclass of: L-alpha-amino acid anion
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: D-threoninate
subclass of: Restriction
  on property: is conjugate base of
  some values from: L-threonine
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (2S,3R)-2-amino-3-hydroxybutanoate
has_related_synonym: 118.11126
has_related_synonym: AYFVYJQAPQTCCC-GBXIJSLDSA-M
definition: An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group.
database_cross_reference: Beilstein:4376295
has_related_synonym: C4H8NO3
id: CHEBI:32820
has_related_synonym: C[C@@H](O)[C@H](N)C([O-])=O
database_cross_reference: Gmelin:464365
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m1/s1
has_exact_synonym: L-threoninate
has_related_synonym: L-threonine anion
database_cross_reference: Reaxys:4376295
has_obo_namespace: chebi_ontology
imported from: chebi.owl

L-threoninium
type: Class
subclass of: threoninium
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: L-threonine
subclass of: Restriction
  on property: is enantiomer of
  some values from: D-threoninium
has_related_synonym: (1S,2R)-1-carboxy-2-hydroxypropan-1-aminium
has_related_synonym: 120.12714
has_related_synonym: AYFVYJQAPQTCCC-GBXIJSLDSA-O
has_related_synonym: C4H10NO3
id: CHEBI:32822
has_related_synonym: C[C@@H](O)[C@H]([NH3+])C(O)=O
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1
has_related_synonym: L-threonine cation
has_exact_synonym: L-threoninium
definition: The L-enantiomer of threoninium.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-threoninate
type: Class
subclass of: threoninate
subclass of: Restriction
  on property: is enantiomer of
  some values from: L-threoninate
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: D-threonine
has_related_synonym: (2R,3S)-2-amino-3-hydroxybutanoate
has_related_synonym: 118.11126
has_related_synonym: AYFVYJQAPQTCCC-STHAYSLISA-M
has_related_synonym: C4H8NO3
id: CHEBI:32827
has_related_synonym: C[C@H](O)[C@@H](N)C([O-])=O
has_exact_synonym: D-threoninate
has_related_synonym: D-threonine anion
database_cross_reference: Gmelin:1006174
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m0/s1
definition: The D-enantiomer of threoninate.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-threoninium
type: Class
subclass of: threoninium
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: D-threonine
subclass of: Restriction
  on property: is enantiomer of
  some values from: L-threoninium
has_related_synonym: (1R,2S)-1-carboxy-2-hydroxypropan-1-aminium
has_related_synonym: 120.12714
has_related_synonym: AYFVYJQAPQTCCC-STHAYSLISA-O
has_related_synonym: C4H10NO3
id: CHEBI:32828
has_related_synonym: C[C@H](O)[C@@H]([NH3+])C(O)=O
has_related_synonym: D-threonine cation
has_exact_synonym: D-threoninium
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m0/s1
definition: The D-enantiomer of threoninium.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

threoninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: threonine
has_related_synonym: C4H8NO3
id: CHEBI:32832
has_obo_namespace: chebi_ontology
has_related_synonym: rel-(2R,3S)-2-amino-3-hydroxybutanoate
has_exact_synonym: threoninate
has_related_synonym: threonine anion
imported from: chebi.owl

threoninium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: threonine
has_related_synonym: C4H10NO3
id: CHEBI:32833
has_obo_namespace: chebi_ontology
has_related_synonym: rel-(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium
has_related_synonym: threonine cation
has_exact_synonym: threoninium
imported from: chebi.owl

serinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: serine
has_related_synonym: 104.08468
has_related_synonym: 2-amino-3-hydroxypropanoate
definition: An alpha-amino-acid anion that is the conjugate base of serine.
has_related_synonym: C3H6NO3
id: CHEBI:32845
database_cross_reference: Gmelin:324692
has_related_synonym: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1
has_related_synonym: MTCFGRXMJLQNBG-UHFFFAOYSA-M
has_related_synonym: NC(CO)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: serinate
has_related_synonym: serine anion
imported from: chebi.owl

serinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: serine
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 1-carboxy-2-hydroxyethanaminium
has_related_synonym: 106.10056
definition: An alpha-amino-acid cation that is the conjugate acid of serine.
has_related_synonym: C3H8NO3
id: CHEBI:32846
database_cross_reference: Gmelin:1925675
has_related_synonym: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1
has_related_synonym: MTCFGRXMJLQNBG-UHFFFAOYSA-O
has_related_synonym: [NH3+]C(CO)C(O)=O
has_obo_namespace: chebi_ontology
has_related_synonym: serine cation
has_exact_synonym: serinium
imported from: chebi.owl

valinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: branched-chain amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: valine
has_related_synonym: 116.13844
has_related_synonym: 2-amino-3-methylbutanoate
definition: A branched-chain amino-acid anion that has formula C5H10NO2.
has_related_synonym: C5H10NO2
has_related_synonym: CC(C)C(N)C([O-])=O
id: CHEBI:32859
database_cross_reference: Gmelin:49876
has_related_synonym: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1
has_related_synonym: KZSNJWFQEVHDMF-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: val(-)
has_exact_synonym: valinate
has_related_synonym: valine anion
imported from: chebi.owl

valinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: valine
has_related_synonym: 1-carboxy-2-methylpropan-1-aminium
has_related_synonym: 118.15432
definition: An alpha-amino-acid cation that has formula C5H12NO2.
has_related_synonym: C5H12NO2
has_related_synonym: CC(C)C([NH3+])C(O)=O
id: CHEBI:32860
database_cross_reference: Gmelin:1651060
has_related_synonym: H2val(+)
has_related_synonym: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1
has_related_synonym: KZSNJWFQEVHDMF-UHFFFAOYSA-O
has_obo_namespace: chebi_ontology
has_related_synonym: valine cation
has_exact_synonym: valinium
imported from: chebi.owl

prolinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: proline
has_related_synonym: 114.12256
definition: An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group.
database_cross_reference: Beilstein:5387795
has_related_synonym: C5H8NO2
id: CHEBI:32871
database_cross_reference: Gmelin:50151
has_related_synonym: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1
has_related_synonym: ONIBWKKTOPOVIA-UHFFFAOYSA-M
database_cross_reference: Reaxys:5387795
has_related_synonym: [O-]C(=O)C1CCCN1
has_obo_namespace: chebi_ontology
has_related_synonym: pro(-)
has_exact_synonym: prolinate
has_related_synonym: proline anion
has_related_synonym: pyrrolidine-2-carboxylate
imported from: chebi.owl

prolinium
type: Class
subclass of: alpha-amino-acid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: proline
has_related_synonym: 116.13840
has_related_synonym: 2-carboxypyrrolidinium
definition: An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group.
has_related_synonym: C5H10NO2
id: CHEBI:32872
has_related_synonym: H2pro(+)
has_related_synonym: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1
has_related_synonym: OC(=O)C1CCC[NH2+]1
has_related_synonym: ONIBWKKTOPOVIA-UHFFFAOYSA-O
has_obo_namespace: chebi_ontology
has_related_synonym: proline cation
has_exact_synonym: prolinium
imported from: chebi.owl

alkene
type: Class
subclass of: acyclic olefin
has_exact_synonym: Alkene
definition: An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc.
has_related_synonym: C2H2R2
has_alternative_id: CHEBI:22320
has_alternative_id: CHEBI:2581
id: CHEBI:32878
database_cross_reference: KEGG:C01372
has_related_synonym: alkenes
has_obo_namespace: chebi_ontology
has_related_synonym: olefin
imported from: chebi.owl

propane
type: Class
subclass of: alkane
subclass of: Restriction
  on property: has role
  some values from: food propellant
has_related_synonym: 44.09562
has_related_synonym: ATUOYWHBWRKTHZ-UHFFFAOYSA-N
definition: An alkane that has formula C3H8.
database_cross_reference: Beilstein:1730718
has_related_synonym: C3H8
database_cross_reference: CAS:74-98-6
has_related_synonym: CCC
has_related_synonym: CH3-CH2-CH3
id: CHEBI:32879
has_related_synonym: E944
database_cross_reference: Gmelin:25044
has_related_synonym: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
has_related_synonym: Propan
has_obo_namespace: chebi_ontology
has_exact_synonym: propane
imported from: chebi.owl

nonane
type: Class
subclass of: alkane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: 128.25510
definition: A straight chain alkane composed of 9 carbon atoms.
has_related_synonym: BKIMMITUMNQMOS-UHFFFAOYSA-N
database_cross_reference: Beilstein:1696917
has_related_synonym: C9H20
database_cross_reference: CAS:111-84-2
has_related_synonym: CCCCCCCCC
has_related_synonym: CH3-[CH2]7-CH3
id: CHEBI:32892
database_cross_reference: Gmelin:240576
database_cross_reference: HMDB:HMDB29595
has_related_synonym: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
database_cross_reference: KNApSAcK:C00034882
database_cross_reference: LIPID_MAPS_instance:LMFA11000579
has_related_synonym: Nonan
database_cross_reference: PMID:23822267
database_cross_reference: Reaxys:1696917
has_obo_namespace: chebi_ontology
has_related_synonym: n-nonane
has_exact_synonym: nonane
imported from: chebi.owl

octadecane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: bacterial metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 254.49430
definition: A straight-chain alkane carrying 18 carbon atoms.
database_cross_reference: Beilstein:1740138
has_related_synonym: C18H38
database_cross_reference: CAS:593-45-3
has_related_synonym: CCCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]16-CH3
id: CHEBI:32926
database_cross_reference: Gmelin:263389
has_related_synonym: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
database_cross_reference: KNApSAcK:C00030879
has_related_synonym: Oktadekan
database_cross_reference: PMID:9842728
has_related_synonym: RZJRJXONCZWCBN-UHFFFAOYSA-N
database_cross_reference: Reaxys:1740138
has_obo_namespace: chebi_ontology
has_related_synonym: n-octadecane
has_exact_synonym: octadecane
imported from: chebi.owl

nonadecane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: 268.52090
definition: A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca.
database_cross_reference: Beilstein:1742892
has_related_synonym: C19H40
database_cross_reference: CAS:629-92-5
has_related_synonym: CCCCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]17-CH3
id: CHEBI:32927
has_related_synonym: InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
has_related_synonym: LQERIDTXQFOHKA-UHFFFAOYSA-N
has_related_synonym: Nonadekan
database_cross_reference: PMID:22724515
database_cross_reference: PMID:23949856
database_cross_reference: PMID:24459478
database_cross_reference: Reaxys:1742892
has_obo_namespace: chebi_ontology
has_related_synonym: n-nonadecane
has_exact_synonym: nonadecane
imported from: chebi.owl

henicosane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: pheromone
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 296.57410
definition: An alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius.
database_cross_reference: Beilstein:1748500
has_related_synonym: C21H44
database_cross_reference: CAS:629-94-7
has_related_synonym: CCCCCCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]19-CH3
id: CHEBI:32931
has_related_synonym: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
database_cross_reference: MetaCyc:CPD-7935
database_cross_reference: PMID:19018567
database_cross_reference: PMID:22439883
database_cross_reference: PMID:23371463
database_cross_reference: PMID:24060842
database_cross_reference: PMID:24459472
database_cross_reference: Patent:US2008293992
database_cross_reference: Patent:US7615672
database_cross_reference: Reaxys:1748500
has_obo_namespace: chebi_ontology
has_related_synonym: heneicosane
has_exact_synonym: henicosane
has_related_synonym: n-heneicosane
imported from: chebi.owl

tetracosane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: 338.65380
definition: A straight-chain alkane containing 24 carbon atoms.
database_cross_reference: Beilstein:1758462
has_related_synonym: C24H50
database_cross_reference: CAS:646-31-1
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]22-CH3
id: CHEBI:32936
database_cross_reference: KNApSAcK:C00032307
database_cross_reference: PMID:22906240
database_cross_reference: PMID:25050317
database_cross_reference: PMID:25154406
has_related_synonym: POOSGDOYLQNASK-UHFFFAOYSA-N
database_cross_reference: Reaxys:1758462
database_cross_reference: Wikipedia:Tetracosane
has_obo_namespace: chebi_ontology
has_related_synonym: n-tetracosane
has_exact_synonym: tetracosane
imported from: chebi.owl

octacosane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 394.76010
definition: A straight-chain alkane containing 28 carbon atoms.
database_cross_reference: Beilstein:1770570
has_related_synonym: C28H58
database_cross_reference: CAS:630-02-4
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]26-CH3
id: CHEBI:32943
database_cross_reference: KNApSAcK:C00034614
database_cross_reference: LIPID_MAPS_instance:LMFA11000580
database_cross_reference: MetaCyc:CPD-9765
database_cross_reference: PMID:17328933
database_cross_reference: PMID:22263592
database_cross_reference: Reaxys:1770570
has_related_synonym: ZYURHZPYMFLWSH-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: n-octacosane
has_exact_synonym: octacosane
imported from: chebi.owl

epoxide
type: Class
subclass of: cyclic ether
subclass of: Restriction
  on property: has parent hydride
  some values from: oxirane
has_related_synonym: 40.02080
has_related_synonym: Alkene oxide
definition: Any cyclic ether in which the oxygen atom forms part of a 3-membered ring.
has_related_synonym: C2H2OR2
has_related_synonym: C2OR4
has_alternative_id: CHEBI:13828
has_alternative_id: CHEBI:23930
id: CHEBI:32955
has_alternative_id: CHEBI:4812
has_exact_synonym: Epoxide
database_cross_reference: KEGG:C00722
has_related_synonym: Olefin oxide
database_cross_reference: PMID:10891060
database_cross_reference: Wikipedia:Epoxide
has_related_synonym: [*]C1([*])OC1([*])[*]
has_related_synonym: an epoxide
has_obo_namespace: chebi_ontology
has_related_synonym: epoxides
has_exact_synonym: epoxides
imported from: chebi.owl

amide
type: Class
subclass of: nitrogen molecular entity
has_exact_synonym: Amide
definition: An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
has_alternative_id: CHEBI:22473
has_alternative_id: CHEBI:2633
id: CHEBI:32988
database_cross_reference: KEGG:C00241
has_exact_synonym: amides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

long-chain fatty acyl-CoA
type: Class
subclass of: fatty acyl-CoA
subclass of: Restriction
  on property: is conjugate acid of
  some values from: long-chain fatty acyl-CoA(4-)
has_related_synonym: 794.53600
definition: A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any long-chain (C13 to C22) fatty acid.
has_related_synonym: C22H35N7O17P3SR
has_alternative_id: CHEBI:13649
has_alternative_id: CHEBI:14530
has_alternative_id: CHEBI:25073
id: CHEBI:33184
has_alternative_id: CHEBI:6523
database_cross_reference: KEGG:C02843
has_related_synonym: LCFA-CoA
has_related_synonym: LCFA-CoAs
has_related_synonym: LCFA-coenzyme A
has_related_synonym: LCFA-coenzyme As
has_related_synonym: Long-chain acyl-CoA
database_cross_reference: PMID:10224157
database_cross_reference: PMID:14516204
database_cross_reference: PMID:16357361
database_cross_reference: PMID:17652214
database_cross_reference: PMID:19170545
database_cross_reference: PMID:19679826
has_related_synonym: a long-chain acyl-CoA (OLD)
has_obo_namespace: chebi_ontology
has_related_synonym: long-chain fatty acyl-CoAs
has_related_synonym: long-chain fatty acyl-coenzyme A
has_related_synonym: long-chain fatty acyl-coenzyme As
imported from: chebi.owl

(E)-cinnamyl alcohol
type: Class
subclass of: cinnamyl alcohol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (2E)-3-phenylprop-2-en-1-ol
has_related_synonym: (E)-3-phenyl-2-propen-1-ol
has_exact_synonym: (E)-cinnamyl alcohol
has_related_synonym: 134.17510
has_related_synonym: 3-Phenyl-2-propen-1-ol
database_cross_reference: Beilstein:741973
has_related_synonym: C9H10O
database_cross_reference: CAS:104-54-1
database_cross_reference: CAS:4407-36-7
id: CHEBI:33227
database_cross_reference: Gmelin:261108
database_cross_reference: HMDB:HMDB29698
has_related_synonym: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
database_cross_reference: KEGG:C02394
database_cross_reference: MetaCyc:CINNAMYL-ALC
has_related_synonym: OC\C=C\c1ccccc1
has_related_synonym: OOCCDEMITAIZTP-QPJJXVBHSA-N
database_cross_reference: PMID:20431333
database_cross_reference: PMID:20940038
database_cross_reference: Reaxys:741973
has_related_synonym: Styrylcarbinol
definition: The E (trans) stereoisomer of cinnamyl alcohol.
database_cross_reference: Wikipedia:Cinnamyl_alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

vitamin
type: Class
subclass of: food component
definition: An organic substance that is distributed in foodstuffs, is distinct from the main organic components of food (protein, carbohydrate and fat) and is needed for the normal nutrition of the organism in question. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines.
has_alternative_id: CHEBI:10004
has_alternative_id: CHEBI:27305
id: CHEBI:33229
has_exact_synonym: Vitamin
has_obo_namespace: chebi_ontology
has_related_synonym: vitamina
has_related_synonym: vitaminas
has_related_synonym: vitamine
has_related_synonym: vitamines
has_related_synonym: vitamins
has_related_synonym: vitaminum
imported from: chebi.owl

application
type: Class
subclass of: role
id: CHEBI:33232
definition: Intended use of the molecular entity or part thereof by humans.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fundamental particle
type: Class
subclass of: subatomic particle
definition: A particle not known to have substructure.
id: CHEBI:33233
has_obo_namespace: chebi_ontology
has_exact_synonym: elementary particle
has_related_synonym: elementary particles
imported from: chebi.owl

monoatomic entity
type: Class
subclass of: elemental molecular entity
definition: A monoatomic entity is a molecular entity consisting of a single atom.
id: CHEBI:33238
has_related_synonym: atomic entity
has_obo_namespace: chebi_ontology
has_related_synonym: monoatomic entities
imported from: chebi.owl

coordination entity
type: Class
subclass of: heteroatomic molecular entity
definition: An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands).
id: CHEBI:33240
has_obo_namespace: chebi_ontology
has_related_synonym: coordination compounds
has_exact_synonym: coordination entities
has_exact_synonym: coordination entity
imported from: chebi.owl

oxoacid derivative
type: Class
subclass of: heteroatomic molecular entity
subclass of: Restriction
  on property: has functional parent
  some values from: oxoacid
id: CHEBI:33241
has_obo_namespace: chebi_ontology
has_related_synonym: oxoacid derivatives
imported from: chebi.owl

inorganic hydride
type: Class
subclass of: inorganic molecular entity
subclass of: hydrides
id: CHEBI:33242
has_obo_namespace: chebi_ontology
has_related_synonym: inorganic hydrides
imported from: chebi.owl

organic fundamental parent
type: Class
subclass of: organic hydride
subclass of: organic molecular entity
definition: An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system.
id: CHEBI:33245
has_obo_namespace: chebi_ontology
has_related_synonym: organic fundamental parents
has_related_synonym: organic parent hydrides
imported from: chebi.owl

inorganic group
type: Class
subclass of: group
definition: Any substituent group which does not contain carbon.
id: CHEBI:33246
has_obo_namespace: chebi_ontology
has_related_synonym: inorganic groups
imported from: chebi.owl

organic group
type: Class
subclass of: group
subclass of: Restriction
  on property: is substituent group from
  some values from: organic molecular entity
definition: Any substituent group or skeleton containing carbon.
id: CHEBI:33247
has_obo_namespace: chebi_ontology
has_related_synonym: organic groups
imported from: chebi.owl

hydrocarbyl group
type: Class
subclass of: organyl group
subclass of: Restriction
  on property: is substituent group from
  some values from: hydrocarbon
definition: A univalent group formed by removing a hydrogen atom from a hydrocarbon.
id: CHEBI:33248
has_obo_namespace: chebi_ontology
has_related_synonym: groupe hydrocarbyle
has_related_synonym: grupo hidrocarbilo
has_related_synonym: grupos hidrocarbilo
has_exact_synonym: hydrocarbyl group
has_exact_synonym: hydrocarbyl groups
imported from: chebi.owl

organyl group
type: Class
subclass of: organic univalent group
definition: Any organic substituent group, regardless of functional type, having one free valence at a carbon atom.
id: CHEBI:33249
has_obo_namespace: chebi_ontology
has_related_synonym: groupe organyle
has_related_synonym: grupo organilo
has_related_synonym: grupos organilo
has_exact_synonym: organyl group
has_exact_synonym: organyl groups
imported from: chebi.owl

atom
type: Class
subclass of: chemical entity
subclass of: Restriction
  on property: has part
  some values from: atomic nucleus
subclass of: Restriction
  on property: has part
  some values from: electron
definition: A chemical entity constituting the smallest component of an element having the chemical properties of the element.
has_alternative_id: CHEBI:22671
has_alternative_id: CHEBI:23907
id: CHEBI:33250
has_exact_synonym: atom
has_related_synonym: atome
has_related_synonym: atomo
has_related_synonym: atoms
has_related_synonym: atomus
has_obo_namespace: chebi_ontology
has_related_synonym: element
has_related_synonym: elements
imported from: chebi.owl

atomic nucleus
type: Class
subclass of: nuclear particle
subclass of: Restriction
  on property: has part
  some values from: nucleon
definition: A nucleus is the positively charged central portion of an atom, excluding the orbital electrons.
has_related_synonym: Atomkern
id: CHEBI:33252
has_related_synonym: Kern
has_obo_namespace: chebi_ontology
has_related_synonym: noyau
has_related_synonym: noyau atomique
has_related_synonym: nuclei
has_related_synonym: nucleo
has_related_synonym: nucleo atomico
has_exact_synonym: nucleus
has_related_synonym: nucleus atomi
imported from: chebi.owl

nucleon
type: Class
subclass of: baryon
subclass of: nuclear particle
id: CHEBI:33253
definition: Heavy nuclear particle: proton or neutron.
has_related_synonym: Nukleon
has_related_synonym: Nukleonen
has_obo_namespace: chebi_ontology
has_exact_synonym: nucleon
has_related_synonym: nucleons
imported from: chebi.owl

primary amide
type: Class
subclass of: amide
definition: A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
id: CHEBI:33256
has_obo_namespace: chebi_ontology
has_exact_synonym: primary amide
has_exact_synonym: primary amides
imported from: chebi.owl

elemental molecular entity
type: Class
subclass of: molecular entity
definition: A molecular entity all atoms of which have the same atomic number.
id: CHEBI:33259
has_obo_namespace: chebi_ontology
has_related_synonym: homoatomic entity
has_related_synonym: homoatomic molecular entities
has_related_synonym: homoatomic molecular entity
imported from: chebi.owl

organosulfur compound
type: Class
subclass of: sulfur molecular entity
subclass of: organochalcogen compound
definition: An organosulfur compound is a compound containing at least one carbon-sulfur bond.
has_alternative_id: CHEBI:23010
has_alternative_id: CHEBI:25714
id: CHEBI:33261
database_cross_reference: Wikipedia:Organosulfur_compounds
has_obo_namespace: chebi_ontology
has_exact_synonym: organosulfur compound
has_related_synonym: organosulfur compounds
imported from: chebi.owl

polyatomic anion
type: Class
subclass of: anion
subclass of: polyatomic ion
definition: An anion consisting of more than one atom.
id: CHEBI:33273
has_obo_namespace: chebi_ontology
has_related_synonym: polyatomic anions
imported from: chebi.owl

molecular messenger
type: Class
subclass of: biological role
id: CHEBI:33280
has_obo_namespace: chebi_ontology
has_related_synonym: chemical messenger
imported from: chebi.owl

antimicrobial agent
type: Class
subclass of: biological role
definition: A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
has_related_synonym: Antibiotika
has_related_synonym: Antibiotikum
has_alternative_id: CHEBI:22582
id: CHEBI:33281
database_cross_reference: PMID:12964249
database_cross_reference: PMID:22117953
database_cross_reference: PMID:22439833
database_cross_reference: PMID:22849268
database_cross_reference: PMID:22849276
database_cross_reference: PMID:22958833
has_related_synonym: antibiotic
has_related_synonym: antibiotics
has_related_synonym: antibiotique
has_related_synonym: antimicrobial
has_related_synonym: antimicrobial agents
has_related_synonym: antimicrobials
has_obo_namespace: chebi_ontology
has_related_synonym: microbicide
has_related_synonym: microbicides
imported from: chebi.owl

antibacterial agent
type: Class
subclass of: antimicrobial agent
definition: A substance that kills or slows the growth of bacteria.
id: CHEBI:33282
has_related_synonym: antibacterial agents
has_related_synonym: antibacterials
has_related_synonym: bactericide
has_related_synonym: bactericides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nutrient
type: Class
subclass of: food component
definition: A nutrient is a chemical element needed by all life forms.
id: CHEBI:33284
has_obo_namespace: chebi_ontology
has_related_synonym: nutrients
imported from: chebi.owl

heteroorganic entity
type: Class
subclass of: organic molecular entity
definition: A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.
id: CHEBI:33285
has_obo_namespace: chebi_ontology
has_related_synonym: heteroorganic entities
has_related_synonym: organoelement compounds
imported from: chebi.owl

agrochemical
type: Class
subclass of: application
definition: An agrochemical is a substance that is used in agriculture or horticulture.
id: CHEBI:33286
database_cross_reference: Wikipedia:Agrochemical
has_related_synonym: agrichemical
has_related_synonym: agrichemicals
has_related_synonym: agricultural chemicals
has_related_synonym: agrochemicals
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fertilizer
type: Class
subclass of: agrochemical
definition: A fertilizer is any substance that is added to soil or water to assist the growth of plants.
id: CHEBI:33287
has_obo_namespace: chebi_ontology
has_related_synonym: fertiliser
has_related_synonym: fertilizers
imported from: chebi.owl

rodenticide
type: Class
subclass of: pesticide
definition: A substance used to destroy rodent pests.
id: CHEBI:33288
database_cross_reference: Wikipedia:Rodenticide
has_obo_namespace: chebi_ontology
has_related_synonym: rodenticides
imported from: chebi.owl

avicide
type: Class
subclass of: pesticide
definition: A substance used to destroy bird pests (class Aves).
id: CHEBI:33289
database_cross_reference: Wikipedia:Avicide
has_related_synonym: avicides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fuel
type: Class
subclass of: application
definition: An energy-rich substance that can be transformed with release of usable energy.
id: CHEBI:33292
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkali metal molecular entity
type: Class
subclass of: s-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: alkali metal atom
definition: A molecular entity containing one or more atoms of an alkali metal.
id: CHEBI:33296
has_related_synonym: alkali metal molecular entities
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkaline earth molecular entity
type: Class
subclass of: s-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: alkaline earth metal atom
definition: An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal.
id: CHEBI:33299
has_related_synonym: alkaline earth compounds
has_related_synonym: alkaline earth molecular entities
has_exact_synonym: alkaline earth molecular entity
has_related_synonym: alkaline-earth compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pnictogen
type: Class
subclass of: p-block element atom
definition: Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth.
id: CHEBI:33300
has_obo_namespace: chebi_ontology
has_related_synonym: group 15 elements
has_related_synonym: group V elements
has_related_synonym: nitrogenoideos
has_related_synonym: nitrogenoides
has_related_synonym: pnictogene
has_related_synonym: pnictogenes
has_exact_synonym: pnictogens
imported from: chebi.owl

pnictogen molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: pnictogen
definition: A p-block molecular entity containing any pnictogen.
id: CHEBI:33302
has_obo_namespace: chebi_ontology
has_related_synonym: pnictogen molecular entities
has_exact_synonym: pnictogen molecular entity
imported from: chebi.owl

chalcogen
type: Class
subclass of: p-block element atom
definition: Any p-block element belonging to the group 16 family of the periodic table.
id: CHEBI:33303
has_related_synonym: Chalkogen
has_related_synonym: Chalkogene
database_cross_reference: PMID:17084588
has_related_synonym: anfigeno
has_related_synonym: anfigenos
has_related_synonym: calcogeno
has_related_synonym: calcogenos
has_exact_synonym: chalcogen
has_related_synonym: chalcogene
has_related_synonym: chalcogenes
has_exact_synonym: chalcogens
has_obo_namespace: chebi_ontology
has_related_synonym: group 16 elements
has_related_synonym: group VI elements
imported from: chebi.owl

chalcogen molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: chalcogen
definition: Any p-block molecular entity containing a chalcogen.
id: CHEBI:33304
has_related_synonym: chalcogen compounds
has_related_synonym: chalcogen molecular entities
has_exact_synonym: chalcogen molecular entity
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbon group element atom
type: Class
subclass of: p-block element atom
id: CHEBI:33306
has_related_synonym: carbon group element
has_related_synonym: carbon group elements
has_related_synonym: carbonoides
has_obo_namespace: chebi_ontology
has_related_synonym: cristallogene
has_related_synonym: cristallogenes
has_exact_synonym: group 14 elements
has_related_synonym: group IV elements
imported from: chebi.owl

carboxylic ester
type: Class
subclass of: ester
subclass of: carbonyl compound
definition: An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
has_alternative_id: CHEBI:13204
has_alternative_id: CHEBI:23028
id: CHEBI:33308
has_alternative_id: CHEBI:3408
has_related_synonym: CO2R2
has_exact_synonym: Carboxylic ester
database_cross_reference: KEGG:C02391
database_cross_reference: Wikipedia:Ester
has_related_synonym: [*]C(=O)O[*]
has_related_synonym: a carboxylic ester
has_related_synonym: carboxylic acid esters
has_exact_synonym: carboxylic esters
has_obo_namespace: chebi_ontology
imported from: chebi.owl

boron group element atom
type: Class
subclass of: p-block element atom
id: CHEBI:33317
has_related_synonym: Element der Borgruppe
has_related_synonym: boron group element
has_related_synonym: boron group elements
has_obo_namespace: chebi_ontology
has_exact_synonym: group 13 elements
has_related_synonym: group III elements
imported from: chebi.owl

main group element atom
type: Class
subclass of: atom
definition: An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table.
id: CHEBI:33318
has_related_synonym: Hauptgruppenelement
has_related_synonym: Hauptgruppenelemente
has_obo_namespace: chebi_ontology
has_related_synonym: main group element
has_exact_synonym: main group elements
imported from: chebi.owl

strontium atom
type: Class
subclass of: alkaline earth metal atom
has_related_synonym: 38Sr
has_related_synonym: 87.62000
definition: An alkaline earth metal atom that has formula Sr.
database_cross_reference: CAS:7440-24-6
id: CHEBI:33324
has_related_synonym: CIOAGBVUUVVLOB-UHFFFAOYSA-N
has_related_synonym: InChI=1S/Sr
has_related_synonym: Sr
database_cross_reference: WebElements:Sr
has_related_synonym: [Sr]
has_obo_namespace: chebi_ontology
has_related_synonym: estroncio
has_exact_synonym: strontium
has_related_synonym: strontium
imported from: chebi.owl

zinc group element atom
type: Class
subclass of: d-block element atom
id: CHEBI:33340
has_obo_namespace: chebi_ontology
has_exact_synonym: group 12 elements
has_related_synonym: zinc group element
has_related_synonym: zinc group elements
imported from: chebi.owl

chromium group element atom
type: Class
subclass of: d-block element atom
id: CHEBI:33350
has_obo_namespace: chebi_ontology
has_related_synonym: chromium group element
has_related_synonym: chromium group elements
has_exact_synonym: group 6 elements
imported from: chebi.owl

manganese group element atom
type: Class
subclass of: d-block element atom
id: CHEBI:33352
has_obo_namespace: chebi_ontology
has_exact_synonym: group 7 elements
has_related_synonym: manganese group element
has_related_synonym: manganese group elements
imported from: chebi.owl

iron group element atom
type: Class
subclass of: d-block element atom
id: CHEBI:33356
has_obo_namespace: chebi_ontology
has_exact_synonym: group 8 elements
has_related_synonym: iron group element
has_related_synonym: iron group elements
imported from: chebi.owl

copper group element atom
type: Class
subclass of: d-block element atom
id: CHEBI:33366
has_obo_namespace: chebi_ontology
has_related_synonym: coinage metals
has_related_synonym: copper group element
has_related_synonym: copper group elements
has_exact_synonym: group 11 elements
imported from: chebi.owl

pnictogen oxoacid
type: Class
subclass of: oxoacid
subclass of: pnictogen molecular entity
id: CHEBI:33408
has_obo_namespace: chebi_ontology
has_related_synonym: pnictogen oxoacids
imported from: chebi.owl

elemental halogen
type: Class
subclass of: elemental molecular entity
id: CHEBI:33434
has_obo_namespace: chebi_ontology
has_exact_synonym: elemental halogen
has_related_synonym: elemental halogens
imported from: chebi.owl

phospho sugar
type: Class
subclass of: carbohydrate phosphate
subclass of: monosaccharide derivative
definition: Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid.
has_alternative_id: CHEBI:15132
has_alternative_id: CHEBI:25406
has_alternative_id: CHEBI:26086
id: CHEBI:33447
has_alternative_id: CHEBI:9320
database_cross_reference: KEGG:C00934
database_cross_reference: PMID:18186488
has_obo_namespace: chebi_ontology
has_related_synonym: monosaccharide phosphates
has_exact_synonym: phospho sugar
has_related_synonym: phospho sugars
has_related_synonym: phosphorylated sugar
has_related_synonym: phosphorylated sugars
has_related_synonym: phosphosugar
has_related_synonym: phosphosugars
imported from: chebi.owl

benzylic group
type: Class
subclass of: organyl group
definition: Arylmethyl groups and derivatives formed by substitution: ArCR2-.
id: CHEBI:33452
has_exact_synonym: benzylic group
has_exact_synonym: benzylic groups
has_related_synonym: benzylic groups
has_obo_namespace: chebi_ontology
has_related_synonym: groupe benzylique
imported from: chebi.owl

phosphorus oxoacid
type: Class
subclass of: pnictogen oxoacid
subclass of: phosphorus oxoacids and derivatives
definition: A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons.
id: CHEBI:33457
has_related_synonym: Oxosaeure des Phosphors
has_obo_namespace: chebi_ontology
has_related_synonym: oxoacids of phosphorus
has_exact_synonym: phosphorus oxoacid
has_related_synonym: phosphorus oxoacids
imported from: chebi.owl

pnictogen oxoanion
type: Class
subclass of: pnictogen molecular entity
subclass of: oxoanion
id: CHEBI:33459
has_obo_namespace: chebi_ontology
has_exact_synonym: pnictogen oxoanion
has_related_synonym: pnictogen oxoanions
imported from: chebi.owl

phosphorus oxoanion
type: Class
subclass of: inorganic anion
subclass of: phosphorus molecular entity
subclass of: pnictogen oxoanion
id: CHEBI:33461
has_obo_namespace: chebi_ontology
has_related_synonym: oxoanions of phosphorus
has_exact_synonym: phosphorus oxoanion
has_related_synonym: phosphorus oxoanions
imported from: chebi.owl

elemental phosphorus
type: Class
subclass of: phosphorus molecular entity
subclass of: elemental pnictogen
id: CHEBI:33464
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental pnictogen
type: Class
subclass of: inorganic molecular entity
subclass of: elemental molecular entity
subclass of: pnictogen molecular entity
id: CHEBI:33465
has_obo_namespace: chebi_ontology
has_exact_synonym: elemental pnictogen
has_related_synonym: elemental pnictogens
imported from: chebi.owl

monoatomic phosphorus
type: Class
subclass of: monoatomic entity
subclass of: elemental phosphorus
id: CHEBI:33466
has_related_synonym: P
has_related_synonym: atomic phosphorus
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phosphorus(1+)
type: Class
subclass of: monoatomic monocation
subclass of: monoatomic phosphorus
has_related_synonym: 30.97376
definition: A monoatomic phosphorus that has formula P.
database_cross_reference: CAS:16427-80-8
id: CHEBI:33467
has_related_synonym: FTFMSLKBXSATDG-UHFFFAOYSA-N
database_cross_reference: Gmelin:15200
has_related_synonym: InChI=1S/P/q+1
has_related_synonym: P
has_related_synonym: P(+)
has_related_synonym: [P+]
has_obo_namespace: chebi_ontology
has_related_synonym: phosphorus cation
has_exact_synonym: phosphorus(1+)
has_exact_synonym: phosphorus(1+) ion
has_exact_synonym: phosphorus(I) cation
imported from: chebi.owl

transition element molecular entity
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: has part
  some values from: transition element atom
definition: A molecular entity containing one or more atoms of a transition element.
id: CHEBI:33497
has_obo_namespace: chebi_ontology
has_related_synonym: transition element molecular entities
has_related_synonym: transition metal molecular entity
imported from: chebi.owl

alkali metal cation
type: Class
subclass of: metal cation
id: CHEBI:33504
has_related_synonym: alkali metal cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkaline earth cation
type: Class
subclass of: metal cation
subclass of: alkaline earth molecular entity
id: CHEBI:33513
has_related_synonym: alkaline earth cations
has_related_synonym: alkaline earth metal cation
has_related_synonym: alkaline-earth metal cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

transition element cation
type: Class
subclass of: metal cation
id: CHEBI:33515
has_obo_namespace: chebi_ontology
has_related_synonym: transition element cations
has_related_synonym: transition metal cation
imported from: chebi.owl

metal atom
type: Class
subclass of: atom
definition: An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity.
has_alternative_id: CHEBI:25217
id: CHEBI:33521
has_alternative_id: CHEBI:6788
database_cross_reference: KEGG:C00050
database_cross_reference: PMID:21784043
database_cross_reference: Wikipedia:Metal
has_obo_namespace: chebi_ontology
has_related_synonym: elemental metal
has_related_synonym: elemental metals
has_related_synonym: metal element
has_related_synonym: metal elements
has_related_synonym: metals
imported from: chebi.owl

alpha-amino-acid anion
type: Class
subclass of: amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: alpha-amino acid
definition: An amino-acid anion obtained by deprotonation of any alpha-amino acid.
id: CHEBI:33558
has_related_synonym: alpha-amino acid anions
has_exact_synonym: alpha-amino-acid anion
has_related_synonym: alpha-amino-acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

s-block element atom
type: Class
subclass of: atom
id: CHEBI:33559
has_obo_namespace: chebi_ontology
has_related_synonym: s-block element
has_related_synonym: s-block elements
imported from: chebi.owl

p-block element atom
type: Class
subclass of: main group element atom
definition: Any main group element atom belonging to the p-block of the periodic table.
id: CHEBI:33560
has_obo_namespace: chebi_ontology
has_related_synonym: p-block element
has_related_synonym: p-block elements
imported from: chebi.owl

d-block element atom
type: Class
subclass of: transition element atom
id: CHEBI:33561
has_obo_namespace: chebi_ontology
has_related_synonym: d-block element
has_related_synonym: d-block elements
imported from: chebi.owl

glycolipid
type: Class
subclass of: liposaccharide
definition: Any member of class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide). Some substances classified as bacterial glycolipids have the sugar part acylated by one or more fatty acids and the glycerol part may be absent.
has_alternative_id: CHEBI:24393
id: CHEBI:33563
has_alternative_id: CHEBI:5476
has_exact_synonym: Glycolipid
database_cross_reference: KEGG:C05005
database_cross_reference: Wikipedia:Glycolipids
has_obo_namespace: chebi_ontology
has_exact_synonym: glycolipids
imported from: chebi.owl

catechols
type: Class
subclass of: benzenediols
definition: Any compound containing an o-diphenol component.
has_alternative_id: CHEBI:13628
has_alternative_id: CHEBI:18862
id: CHEBI:33566
database_cross_reference: KEGG:C15571
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzenediols
type: Class
subclass of: phenols
has_alternative_id: CHEBI:22705
has_alternative_id: CHEBI:22711
id: CHEBI:33570
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carboxylic acid
type: Class
subclass of: carbon oxoacid
subclass of: carbonyl compound
subclass of: organic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: carboxylic acid anion
subclass of: Restriction
  on property: has part
  some values from: carboxy group
has_related_synonym: 45.01740
definition: A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.
has_alternative_id: CHEBI:13428
has_alternative_id: CHEBI:13627
has_alternative_id: CHEBI:23027
id: CHEBI:33575
has_related_synonym: CHO2R
has_related_synonym: Carbonsaeure
has_related_synonym: Carbonsaeuren
has_related_synonym: Karbonsaeure
has_related_synonym: OC([*])=O
database_cross_reference: PMID:17147560
database_cross_reference: PMID:18433345
has_related_synonym: RC(=O)OH
database_cross_reference: Wikipedia:Carboxylic_acid
has_related_synonym: acide carboxylique
has_related_synonym: acides carboxyliques
has_related_synonym: acido carboxilico
has_related_synonym: acidos carboxilicos
has_exact_synonym: carboxylic acid
has_exact_synonym: carboxylic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sulfur-containing carboxylic acid
type: Class
subclass of: organosulfur compound
subclass of: carboxylic acid
definition: Any carboxylic acid having a sulfur substituent.
id: CHEBI:33576
has_related_synonym: S-containing carboxylic acid
has_related_synonym: S-containing carboxylic acids
has_obo_namespace: chebi_ontology
has_related_synonym: sulfur-containing carboxylic acids
imported from: chebi.owl

main group molecular entity
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: has part
  some values from: main group element atom
definition: A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table.
id: CHEBI:33579
has_obo_namespace: chebi_ontology
has_related_synonym: main group compounds
has_related_synonym: main group molecular entities
imported from: chebi.owl

boron group molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: boron group element atom
id: CHEBI:33581
has_related_synonym: boron group molecular entities
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbon group molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: carbon group element atom
id: CHEBI:33582
has_related_synonym: carbon group molecular entities
has_exact_synonym: carbon group molecular entity
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclic compound
type: Class
subclass of: molecule
definition: Any molecule that consists of a series of atoms joined together to form a ring.
id: CHEBI:33595
database_cross_reference: Wikipedia:Cyclic_compound
has_obo_namespace: chebi_ontology
has_related_synonym: cyclic compounds
imported from: chebi.owl

homocyclic compound
type: Class
subclass of: cyclic compound
definition: A cyclic compound having as ring members atoms of the same element only.
id: CHEBI:33597
has_obo_namespace: chebi_ontology
has_exact_synonym: homocyclic compound
has_exact_synonym: homocyclic compounds
has_related_synonym: isocyclic compounds
imported from: chebi.owl

carbocyclic compound
type: Class
subclass of: homocyclic compound
subclass of: organic cyclic compound
definition: A homocyclic compound in which all of the ring members are carbon atoms.
id: CHEBI:33598
has_related_synonym: carbocycle
has_exact_synonym: carbocyclic compound
has_exact_synonym: carbocyclic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

spiro compound
type: Class
subclass of: polycyclic compound
definition: A compound having one atom as the only common member of two rings.
id: CHEBI:33599
has_obo_namespace: chebi_ontology
has_exact_synonym: spiro compound
has_exact_synonym: spiro compounds
has_related_synonym: spiro-fused compounds
has_related_synonym: spirocycle
has_related_synonym: spirocycles
has_related_synonym: spirocyclic compound
has_related_synonym: spirocyclic compounds
has_related_synonym: spirofused compounds
imported from: chebi.owl

hydrogen molecular entity
type: Class
subclass of: s-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: hydrogen atom
id: CHEBI:33608
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen compounds
has_related_synonym: hydrogen molecular entities
imported from: chebi.owl

elemental boron
type: Class
subclass of: boron molecular entity
subclass of: inorganic molecular entity
subclass of: elemental molecular entity
database_cross_reference: CAS:7440-42-8
id: CHEBI:33609
has_related_synonym: boron
has_obo_namespace: chebi_ontology
has_related_synonym: trona elemental boron
imported from: chebi.owl

monoatomic boron
type: Class
subclass of: monoatomic entity
subclass of: elemental boron
has_related_synonym: B
id: CHEBI:33610
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polycyclic compound
type: Class
subclass of: cyclic compound
id: CHEBI:33635
has_obo_namespace: chebi_ontology
has_related_synonym: polycyclic compounds
imported from: chebi.owl

bicyclic compound
type: Class
subclass of: cyclic compound
definition: A molecule that features two fused rings.
id: CHEBI:33636
has_related_synonym: bicyclic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ortho-fused compound
type: Class
subclass of: fused compound
definition: A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms.
id: CHEBI:33637
has_obo_namespace: chebi_ontology
has_related_synonym: ortho-fused compounds
has_exact_synonym: ortho-fused polycyclic compounds
imported from: chebi.owl

olefin
type: Class
subclass of: hydrocarbon
subclass of: olefinic compound
definition: Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes.
id: CHEBI:33641
has_obo_namespace: chebi_ontology
has_exact_synonym: olefin
has_related_synonym: olefins
has_exact_synonym: olefins
imported from: chebi.owl

cyclic olefin
type: Class
subclass of: olefin
subclass of: alicyclic compound
id: CHEBI:33642
definition: The inclusive term for any cyclic hydrocarbon having any number of double bonds.
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic olefin
has_exact_synonym: cyclic olefins
imported from: chebi.owl

cycloalkene
type: Class
subclass of: monocyclic hydrocarbon
subclass of: monocyclic olefin
definition: An unsaturated monocyclic hydrocarbon having at least one endocyclic double bond.
id: CHEBI:33643
has_obo_namespace: chebi_ontology
has_exact_synonym: cycloalkene
has_exact_synonym: cycloalkenes
imported from: chebi.owl

acyclic olefin
type: Class
subclass of: olefin
definition: Acyclic branched or unbranched hydrocarbons having one or more carbon-carbon double bond.
id: CHEBI:33645
has_related_synonym: acyclic olefins
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aliphatic compound
type: Class
subclass of: organic molecular entity
definition: Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds.
id: CHEBI:33653
has_exact_synonym: aliphatic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alicyclic compound
type: Class
subclass of: carbocyclic compound
subclass of: aliphatic compound
definition: An aliphatic compound having a carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system.
id: CHEBI:33654
has_exact_synonym: alicyclic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aromatic compound
type: Class
subclass of: cyclic compound
definition: A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.
id: CHEBI:33655
has_exact_synonym: aromatic compounds
has_exact_synonym: aromatic molecular entity
has_related_synonym: aromatics
has_related_synonym: aromatische Verbindungen
has_obo_namespace: chebi_ontology
imported from: chebi.owl

arene
type: Class
subclass of: organic aromatic compound
subclass of: cyclic hydrocarbon
definition: Any monocyclic or polycyclic aromatic hydrocarbon.
id: CHEBI:33658
has_exact_synonym: arene
has_exact_synonym: arenes
has_related_synonym: aromatic hydrocarbons
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic aromatic compound
type: Class
subclass of: aromatic compound
subclass of: organic cyclic compound
id: CHEBI:33659
has_obo_namespace: chebi_ontology
has_related_synonym: organic aromatic compounds
imported from: chebi.owl

monocyclic compound
type: Class
subclass of: cyclic compound
id: CHEBI:33661
has_obo_namespace: chebi_ontology
has_related_synonym: monocyclic compounds
imported from: chebi.owl

annulene
type: Class
subclass of: monocyclic hydrocarbon
definition: A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms.
id: CHEBI:33662
has_exact_synonym: annulene
has_exact_synonym: annulenes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclic hydrocarbon
type: Class
subclass of: hydrocarbon
subclass of: carbocyclic compound
id: CHEBI:33663
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic hydrocarbon
has_related_synonym: cyclic hydrocarbons
imported from: chebi.owl

monocyclic hydrocarbon
type: Class
subclass of: cyclic hydrocarbon
id: CHEBI:33664
has_obo_namespace: chebi_ontology
has_exact_synonym: monocyclic hydrocarbon
has_related_synonym: monocyclic hydrocarbons
has_exact_synonym: monocyclic hydrocarbons
imported from: chebi.owl

polycyclic hydrocarbon
type: Class
subclass of: cyclic hydrocarbon
subclass of: carbopolycyclic compound
id: CHEBI:33666
has_obo_namespace: chebi_ontology
has_exact_synonym: polycyclic hydrocarbon
has_exact_synonym: polycyclic hydrocarbons
imported from: chebi.owl

heteromonocyclic compound
type: Class
subclass of: monocyclic compound
subclass of: heterocyclic compound
id: CHEBI:33670
has_obo_namespace: chebi_ontology
has_exact_synonym: heteromonocyclic compound
has_exact_synonym: heteromonocyclic compounds
imported from: chebi.owl

heteropolycyclic compound
type: Class
subclass of: polycyclic compound
subclass of: heterocyclic compound
id: CHEBI:33671
has_obo_namespace: chebi_ontology
has_exact_synonym: heteropolycyclic compounds
has_related_synonym: polyheterocyclic compounds
imported from: chebi.owl

heterobicyclic compound
type: Class
subclass of: bicyclic compound
subclass of: heterocyclic compound
definition: A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom.
id: CHEBI:33672
has_obo_namespace: chebi_ontology
has_exact_synonym: heterobicyclic compounds
imported from: chebi.owl

zinc group molecular entity
type: Class
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: zinc group element atom
id: CHEBI:33673
has_obo_namespace: chebi_ontology
has_related_synonym: zinc group molecular entities
imported from: chebi.owl

s-block molecular entity
type: Class
subclass of: main group molecular entity
subclass of: Restriction
  on property: has part
  some values from: s-block element atom
definition: An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element.
id: CHEBI:33674
has_obo_namespace: chebi_ontology
has_related_synonym: s-block compounds
has_related_synonym: s-block molecular entities
has_exact_synonym: s-block molecular entity
imported from: chebi.owl

p-block molecular entity
type: Class
subclass of: main group molecular entity
subclass of: Restriction
  on property: has part
  some values from: p-block element atom
definition: A main group molecular entity that contains one or more atoms of a p-block element.
id: CHEBI:33675
has_obo_namespace: chebi_ontology
has_related_synonym: p-block compounds
has_related_synonym: p-block molecular entities
has_related_synonym: p-block molecular entitiy
imported from: chebi.owl

d-block molecular entity
type: Class
subclass of: transition element molecular entity
subclass of: Restriction
  on property: has part
  some values from: d-block element atom
definition: A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element.
id: CHEBI:33676
has_obo_namespace: chebi_ontology
has_related_synonym: d-block compounds
has_related_synonym: d-block molecular entities
has_exact_synonym: d-block molecular entity
imported from: chebi.owl

hydrides
type: Class
subclass of: hydrogen molecular entity
subclass of: heteroatomic molecular entity
id: CHEBI:33692
definition: Hydrides are chemical compounds of hydrogen with other chemical elements.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

biomacromolecule
type: Class
subclass of: macromolecule
subclass of: organic molecular entity
definition: A macromolecule formed by a living organism.
has_related_synonym: Biopolymere
id: CHEBI:33694
has_related_synonym: biomacromolecules
has_exact_synonym: biopolymer
has_related_synonym: biopolymers
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polyatomic cation
type: Class
subclass of: polyatomic ion
subclass of: cation
definition: A cation consisting of more than one atom.
id: CHEBI:33702
has_obo_namespace: chebi_ontology
has_related_synonym: polyatomic cations
imported from: chebi.owl

amino-acid cation
type: Class
subclass of: polyatomic cation
id: CHEBI:33703
has_related_synonym: amino acid cation
has_exact_synonym: amino-acid cation
has_related_synonym: amino-acid cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-amino acid
type: Class
subclass of: amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: alpha-amino-acid anion
subclass of: Restriction
  on property: is tautomer of
  some values from: alpha-amino acid zwitterion
has_related_synonym: 74.05870
has_related_synonym: Amino acid
has_related_synonym: Amino acids
definition: An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group.
has_related_synonym: C2H4NO2R
has_alternative_id: CHEBI:10208
has_alternative_id: CHEBI:13779
has_alternative_id: CHEBI:22442
has_alternative_id: CHEBI:2642
id: CHEBI:33704
database_cross_reference: KEGG:C00045
database_cross_reference: KEGG:C05167
has_related_synonym: NC([*])C(O)=O
has_exact_synonym: alpha-amino acid
has_related_synonym: alpha-amino acids
has_related_synonym: alpha-amino carboxylic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

gamma-amino acid
type: Class
subclass of: non-proteinogenic amino acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: gamma-amino acid anion
definition: A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group.
id: CHEBI:33707
has_obo_namespace: chebi_ontology
has_exact_synonym: gamma-amino acid
has_related_synonym: gamma-amino acids
imported from: chebi.owl

amino acid
type: Class
subclass of: carboxylic acid
subclass of: organic amino compound
subclass of: Restriction
  on property: is conjugate acid of
  some values from: amino-acid anion
definition: A carboxylic acid containing one or more amino groups.
has_related_synonym: Aminocarbonsaeure
has_related_synonym: Aminokarbonsaeure
has_related_synonym: Aminosaeure
has_alternative_id: CHEBI:13815
has_alternative_id: CHEBI:22477
id: CHEBI:33709
database_cross_reference: Wikipedia:Amino_acid
has_related_synonym: amino acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-amino-acid cation
type: Class
subclass of: amino-acid cation
id: CHEBI:33719
has_related_synonym: alpha-amino acid cations
has_exact_synonym: alpha-amino-acid cation
has_related_synonym: alpha-amino-acid cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrate acid
type: Class
subclass of: carbohydrate
subclass of: carboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: carbohydrate acid anion
id: CHEBI:33720
has_exact_synonym: carbohydrate acid
has_related_synonym: carbohydrate acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrate acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: carbohydrate acid
id: CHEBI:33721
has_exact_synonym: carbohydrate acid anion
has_related_synonym: carbohydrate acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetritol
type: Class
subclass of: alditol
id: CHEBI:33729
has_obo_namespace: chebi_ontology
has_exact_synonym: tetritol
has_related_synonym: tetritols
imported from: chebi.owl

chromium group molecular entity
type: Class
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: chromium group element atom
id: CHEBI:33741
has_obo_namespace: chebi_ontology
has_related_synonym: chromium group molecular entities
has_exact_synonym: chromium group molecular entity
imported from: chebi.owl

manganese group molecular entity
type: Class
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: manganese group element atom
id: CHEBI:33743
has_obo_namespace: chebi_ontology
has_related_synonym: manganese group molecular entities
has_exact_synonym: manganese group molecular entity
imported from: chebi.owl

iron group molecular entity
type: Class
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: iron group element atom
id: CHEBI:33744
has_obo_namespace: chebi_ontology
has_related_synonym: iron group molecular entities
has_exact_synonym: iron group molecular entity
imported from: chebi.owl

copper group molecular entity
type: Class
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: copper group element atom
id: CHEBI:33745
has_obo_namespace: chebi_ontology
has_related_synonym: copper group molecular entities
has_exact_synonym: copper group molecular entity
imported from: chebi.owl

tetraric acid anion
type: Class
subclass of: aldaric acid anion
id: CHEBI:33798
has_obo_namespace: chebi_ontology
has_related_synonym: tetrarate
has_related_synonym: tetrarates
has_related_synonym: tetraric acid anions
imported from: chebi.owl

organic hydroxy compound
type: Class
subclass of: hydroxides
subclass of: organic molecular entity
definition: An organic compound having at least one hydroxy group attached to a carbon atom.
id: CHEBI:33822
has_alternative_id: CHEBI:64710
has_obo_namespace: chebi_ontology
has_exact_synonym: hydroxy compounds
has_related_synonym: organic alcohol
has_related_synonym: organic hydroxy compounds
imported from: chebi.owl

enol
type: Class
subclass of: organic hydroxy compound
subclass of: olefinic compound
has_related_synonym: 41.02870
definition: Alkenols; the term refers specifically to vinylic alcohols, which have the structure HOCR'=CR2. Enols are tautomeric with aldehydes (R' = H) or ketones (R' =/= H).
has_related_synonym: C2HOR3
id: CHEBI:33823
has_related_synonym: O\C([*])=C(/[*])[*]
has_related_synonym: alkenols
has_obo_namespace: chebi_ontology
has_exact_synonym: enol
has_exact_synonym: enols
has_related_synonym: enols
imported from: chebi.owl

organic cyclic compound
type: Class
subclass of: cyclic compound
subclass of: organic molecule
definition: Any organic molecule that consists of atoms connected in the form of a ring.
id: CHEBI:33832
has_obo_namespace: chebi_ontology
has_related_synonym: organic cyclic compounds
imported from: chebi.owl

heteroarene
type: Class
subclass of: organic heterocyclic compound
subclass of: organic aromatic compound
definition: A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).
id: CHEBI:33833
has_obo_namespace: chebi_ontology
has_related_synonym: hetarenes
has_exact_synonym: heteroarenes
imported from: chebi.owl

benzenoid aromatic compound
type: Class
subclass of: carbocyclic compound
subclass of: organic aromatic compound
id: CHEBI:33836
has_related_synonym: benzenoid aromatic compounds
has_related_synonym: benzenoid compound
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleoside
type: Class
subclass of: N-glycosyl compound
subclass of: oxolanes
subclass of: nucleobase-containing molecular entity
subclass of: Restriction
  on property: has functional parent
  some values from: carbohydrate
has_related_synonym: 116.115
definition: An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents.
has_related_synonym: C5H8O3R2
has_alternative_id: CHEBI:13661
has_alternative_id: CHEBI:25611
id: CHEBI:33838
has_alternative_id: CHEBI:7647
database_cross_reference: KEGG:C00801
has_exact_synonym: Nucleoside
has_related_synonym: [C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO
has_related_synonym: a nucleoside
has_obo_namespace: chebi_ontology
has_related_synonym: nucleosides
has_exact_synonym: nucleosides
imported from: chebi.owl

macromolecule
type: Class
subclass of: polyatomic entity
definition: A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.
id: CHEBI:33839
database_cross_reference: Wikipedia:Macromolecule
has_obo_namespace: chebi_ontology
has_exact_synonym: macromolecule
has_related_synonym: macromolecules
has_related_synonym: polymer
has_related_synonym: polymer molecule
has_related_synonym: polymers
imported from: chebi.owl

aromatic annulene
type: Class
subclass of: annulene
subclass of: monocyclic arene
id: CHEBI:33842
has_related_synonym: aromatic annulenes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monocyclic arene
type: Class
subclass of: arene
definition: A monocyclic aromatic hydrocarbon.
id: CHEBI:33847
has_obo_namespace: chebi_ontology
has_related_synonym: monocyclic arenes
imported from: chebi.owl

polycyclic arene
type: Class
subclass of: arene
subclass of: polycyclic hydrocarbon
subclass of: Restriction
  on property: has role
  some values from: carcinogenic agent
definition: A polycyclic aromatic hydrocarbon.
id: CHEBI:33848
has_related_synonym: PAH
has_related_synonym: PAHs
database_cross_reference: PMID:15198916
database_cross_reference: PMID:25679824
database_cross_reference: Wikipedia:Polycyclic_aromatic_hydrocarbon
has_obo_namespace: chebi_ontology
has_related_synonym: polycyclic arenes
has_related_synonym: polycyclic aromatic hydrocarbons
imported from: chebi.owl

phenols
type: Class
subclass of: organic aromatic compound
subclass of: organic hydroxy compound
has_related_synonym: Aryl alcohol
has_alternative_id: CHEBI:13664
has_alternative_id: CHEBI:13825
has_alternative_id: CHEBI:25969
has_alternative_id: CHEBI:2857
id: CHEBI:33853
database_cross_reference: KEGG:C15584
database_cross_reference: MetaCyc:Aryl-Alcohol
definition: Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
database_cross_reference: Wikipedia:Phenols
has_related_synonym: arenols
has_related_synonym: aryl alcohol
has_obo_namespace: chebi_ontology
has_exact_synonym: phenols
imported from: chebi.owl

aromatic alcohol
type: Class
subclass of: alcohol
subclass of: organic aromatic compound
definition: Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.
has_alternative_id: CHEBI:13818
has_alternative_id: CHEBI:22620
has_alternative_id: CHEBI:22640
has_alternative_id: CHEBI:2831
id: CHEBI:33854
has_related_synonym: aromatic alcohols
has_related_synonym: aryl alcohol
has_related_synonym: aryl alcohols
has_obo_namespace: chebi_ontology
imported from: chebi.owl

arenecarbaldehyde
type: Class
subclass of: aldehyde
subclass of: organic aromatic compound
has_related_synonym: *C(=O)[H]
has_related_synonym: 29.018
definition: Any aldehyde in which the carbonyl group is attached to an aromatic moiety.
has_related_synonym: Aromatic aldehyde
has_alternative_id: CHEBI:13819
has_alternative_id: CHEBI:22621
has_alternative_id: CHEBI:2832
id: CHEBI:33855
has_alternative_id: CHEBI:87908
has_related_synonym: CHOR
database_cross_reference: KEGG:C00193
has_related_synonym: an aromatic aldehyde
has_related_synonym: an aryl aldehyde
has_exact_synonym: arenecarbaldehyde
has_related_synonym: arenecarbaldehydes
has_related_synonym: aryl aldehyde
has_related_synonym: aryl aldehydes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aromatic amino acid
type: Class
subclass of: organic aromatic compound
subclass of: amino acid
subclass of: Restriction
  on property: is tautomer of
  some values from: aromatic amino-acid zwitterion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aromatic amino-acid anion
has_related_synonym: 88.085
has_related_synonym: Aromatic L-amino acid
has_exact_synonym: Aromatic amino acid
has_related_synonym: C2H4NO2R
has_alternative_id: CHEBI:13820
has_alternative_id: CHEBI:22623
has_alternative_id: CHEBI:2835
id: CHEBI:33856
database_cross_reference: KEGG:C01021
has_exact_synonym: aromatic amino acid
has_related_synonym: aromatic amino acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aromatic carboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: organic aromatic compound
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aromatic carboxylate
definition: Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.
has_alternative_id: CHEBI:13817
has_alternative_id: CHEBI:13821
has_alternative_id: CHEBI:2830
id: CHEBI:33859
has_related_synonym: aromatic carboxylic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

reagent
type: Class
subclass of: application
definition: A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
id: CHEBI:33893
has_obo_namespace: chebi_ontology
has_related_synonym: reactif
has_related_synonym: reactivo
has_exact_synonym: reagent
has_related_synonym: reagents
imported from: chebi.owl

metallotetrapyrrole
type: Class
subclass of: cyclic tetrapyrrole
id: CHEBI:33909
has_obo_namespace: chebi_ontology
has_related_synonym: metal-tetrapyrrole
has_related_synonym: metal-tetrapyrrole complex
has_related_synonym: metallotetrapyrroles
imported from: chebi.owl

aldopentose
type: Class
subclass of: aldose
subclass of: pentose
definition: A pentose with a (potential) aldehyde group at one end.
id: CHEBI:33916
database_cross_reference: PMID:10723607
has_exact_synonym: aldopentose
has_related_synonym: aldopentoses
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aldohexose
type: Class
subclass of: aldose
subclass of: hexose
definition: A hexose with a (potential) aldehyde group at one end.
has_alternative_id: CHEBI:2558
id: CHEBI:33917
has_exact_synonym: aldohexose
has_related_synonym: aldohexoses
has_obo_namespace: chebi_ontology
imported from: chebi.owl

macronutrient
type: Class
subclass of: nutrient
id: CHEBI:33937
has_obo_namespace: chebi_ontology
has_related_synonym: macronutrients
imported from: chebi.owl

ribose
type: Class
subclass of: aldopentose
definition: Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature.
has_related_synonym: C5H10O5
has_alternative_id: CHEBI:26564
id: CHEBI:33942
has_related_synonym: Rib
has_obo_namespace: chebi_ontology
has_exact_synonym: ribo-pentose
has_exact_synonym: ribose
imported from: chebi.owl

silver molecular entity
type: Class
subclass of: copper group molecular entity
subclass of: Restriction
  on property: has part
  some values from: silver atom
id: CHEBI:33964
has_obo_namespace: chebi_ontology
has_related_synonym: silver compounds
has_related_synonym: silver molecular entities
has_exact_synonym: silver molecular entity
imported from: chebi.owl

elemental silver
type: Class
subclass of: silver molecular entity
id: CHEBI:33966
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental magnesium
type: Class
subclass of: magnesium molecular entity
id: CHEBI:33973
has_obo_namespace: chebi_ontology
imported from: chebi.owl

magnesium coordination entity
type: Class
subclass of: magnesium molecular entity
subclass of: alkaline earth coordination entity
id: CHEBI:33976
has_obo_namespace: chebi_ontology
has_related_synonym: magnesium coordination compounds
has_related_synonym: magnesium coordination entities
has_exact_synonym: magnesium coordination entity
imported from: chebi.owl

deoxymannose
type: Class
subclass of: deoxyhexose
id: CHEBI:33983
has_obo_namespace: chebi_ontology
has_related_synonym: deoxymannoses
imported from: chebi.owl

(-)-catechin
type: Class
subclass of: catechin
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-catechin
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (-)-Catechin
has_related_synonym: (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-benzopyran-3,5,7-triol
has_exact_synonym: (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: 290.26810
has_related_synonym: C15H14O6
database_cross_reference: CAS:18829-70-4
id: CHEBI:33992
has_related_synonym: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
database_cross_reference: KEGG:C14079
database_cross_reference: KNApSAcK:C00008808
has_related_synonym: PFTAWBLQPZVEMU-HIFRSBDPSA-N
definition: The (-)-enantiomer of catechin.
has_related_synonym: catechin L-form
has_obo_namespace: chebi_ontology
imported from: chebi.owl

dibutyl phthalate
type: Class
subclass of: phthalate ester
subclass of: diester
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: teratogenic agent
subclass of: Restriction
  on property: has functional parent
  some values from: butan-1-ol
subclass of: Restriction
  on property: has role
  some values from: environmental contaminant
subclass of: Restriction
  on property: has role
  some values from: plasticiser
has_related_synonym: 1,2-Benzenedicarboxylic acid dibutyl ester
has_related_synonym: 278.34350
definition: A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol.
database_cross_reference: Beilstein:1914064
has_related_synonym: Benzene-o-dicarboxylic acid di-n-butyl ester
has_related_synonym: Benzenedicarboxylic acid dibutyl ester
has_related_synonym: Butyl phthalate
has_related_synonym: C16H22O4
database_cross_reference: CAS:84-74-2
has_related_synonym: CCCCOC(=O)c1ccccc1C(=O)OCCCC
id: CHEBI:34687
has_alternative_id: CHEBI:535597
has_related_synonym: DBP
has_related_synonym: DOIRQSBPFJWKBE-UHFFFAOYSA-N
has_related_synonym: Di-n-butyl phthalate
has_related_synonym: Dibutyl 1,2-benzenedicarboxylate
has_related_synonym: Dibutyl o-phthalate
has_exact_synonym: Dibutyl phthalate
has_related_synonym: Dibutyl-o-phthalate
database_cross_reference: Gmelin:262569
database_cross_reference: HMDB:HMDB33244
has_related_synonym: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
database_cross_reference: KEGG:C14214
database_cross_reference: PMID:11133400
database_cross_reference: PMID:19840837
database_cross_reference: PMID:24213843
database_cross_reference: PMID:24468924
database_cross_reference: PMID:24616073
has_related_synonym: Phthalic acid di-n-butyl ester
has_related_synonym: Phthalic acid dibutyl ester
database_cross_reference: Reaxys:1914064
database_cross_reference: Wikipedia:Dibutyl_phthalate
has_obo_namespace: chebi_ontology
has_exact_synonym: dibutyl benzene-1,2-dicarboxylate
has_related_synonym: n-Butyl phthalate
has_related_synonym: o-Benzenedicarboxylic acid dibutyl ester
imported from: chebi.owl

diethyl phthalate
type: Class
subclass of: ethyl ester
subclass of: phthalate ester
subclass of: diester
subclass of: Restriction
  on property: has role
  some values from: neurotoxin
subclass of: Restriction
  on property: has role
  some values from: teratogenic agent
subclass of: Restriction
  on property: has role
  some values from: plasticiser
has_related_synonym: 1,2-Benzenedicarboxylic acid diethyl ester
has_related_synonym: 1,2-Diethyl phthalate
has_related_synonym: 222.23716
database_cross_reference: Beilstein:1912500
has_related_synonym: C12H14O4
database_cross_reference: CAS:84-66-2
has_related_synonym: CCOC(=O)c1ccccc1C(=O)OCC
id: CHEBI:34698
has_related_synonym: DEP
has_related_synonym: Diethyl 1,2-benzenedicarboxylate
has_related_synonym: Diethyl o-phthalate
has_exact_synonym: Diethyl phthalate
has_related_synonym: Ethyl phthalate
has_related_synonym: FLKPEMZONWLCSK-UHFFFAOYSA-N
database_cross_reference: Gmelin:261704
has_related_synonym: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
database_cross_reference: KEGG:C14175
database_cross_reference: KEGG:D03804
database_cross_reference: PMID:19840837
database_cross_reference: PMID:23880707
database_cross_reference: PMID:24418706
has_related_synonym: Phthalic acid diethyl ester
has_related_synonym: Phthalsaeurediaethylester
database_cross_reference: Reaxys:1912500
definition: The diethyl ester of benzene-1,2-dicarboxylic acid.
database_cross_reference: Wikipedia:Diethyl_phthalate
has_obo_namespace: chebi_ontology
has_related_synonym: diethyl benzene-1,2-dicarboxylate
has_exact_synonym: diethyl benzene-1,2-dicarboxylate
has_related_synonym: o-Benzenedicarboxylic acid diethyl ester
has_related_synonym: o-Bis(ethoxycarbonyl)benzene
imported from: chebi.owl

furfural
type: Class
subclass of: aldehyde
subclass of: furans
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: Maillard reaction product
subclass of: Restriction
  on property: has functional parent
  some values from: furan
has_related_synonym: 2-Formylfuran
has_related_synonym: 2-Furaldehyde
has_related_synonym: 2-Furanaldehyde
has_related_synonym: 2-Furancarbonal
has_related_synonym: 2-Furancarboxaldehyde
has_related_synonym: 2-Furyl-methanal
has_related_synonym: 2-Furylcarboxaldehyde
has_related_synonym: 96.08410
definition: An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.
has_related_synonym: C5H4O2
database_cross_reference: CAS:98-01-1
id: CHEBI:34768
has_alternative_id: CHEBI:42593
has_related_synonym: Furaldehyde
has_related_synonym: HYBBIBNJHNGZAN-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
database_cross_reference: KEGG:C14279
database_cross_reference: KNApSAcK:C00030331
database_cross_reference: MetaCyc:CPD0-2357
has_related_synonym: O=Cc1ccco1
database_cross_reference: PDBeChem:FU2
database_cross_reference: PMID:17439666
database_cross_reference: PMID:21925629
database_cross_reference: PMID:22081946
database_cross_reference: PMID:22133603
database_cross_reference: PMID:22213717
database_cross_reference: PMID:22277539
database_cross_reference: PMID:22315196
database_cross_reference: PMID:22504824
database_cross_reference: PMID:22512171
database_cross_reference: PMID:22592554
database_cross_reference: PMID:22639140
database_cross_reference: PMID:22648683
database_cross_reference: PMID:22703600
database_cross_reference: Reaxys:105755
database_cross_reference: Wikipedia:Furfural
database_cross_reference: YMDB:YMDB01459
has_obo_namespace: chebi_ontology
has_exact_synonym: furan-2-carbaldehyde
imported from: chebi.owl

1,3,5-trimethylbenzene
type: Class
subclass of: trimethylbenzene
has_exact_synonym: 1,3,5-Trimethylbenzene
has_exact_synonym: 1,3,5-trimethylbenzene
has_related_synonym: 120.19158
has_related_synonym: 3,5-dimethyltoluene
definition: A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5.
has_related_synonym: AUHZEENZYGFFBQ-UHFFFAOYSA-N
database_cross_reference: Beilstein:906806
has_related_synonym: C9H12
database_cross_reference: CAS:108-67-8
id: CHEBI:34833
has_related_synonym: Cc1cc(C)cc(C)c1
database_cross_reference: Gmelin:2956
database_cross_reference: HMDB:HMDB41924
has_related_synonym: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
database_cross_reference: KEGG:C14508
has_related_synonym: Mesitylene
database_cross_reference: PMID:16549407
database_cross_reference: Reaxys:906806
database_cross_reference: Wikipedia:Mesitylene
has_obo_namespace: chebi_ontology
has_related_synonym: s-trimethylbenzene
has_related_synonym: sym-trimethylbenzene
imported from: chebi.owl

tetralin
type: Class
subclass of: ortho-fused bicyclic hydrocarbon
subclass of: tetralins
subclass of: Restriction
  on property: has parent hydride
  some values from: naphthalene
has_related_synonym: 1,2,3,4-Tetrahydronaphthalene
has_exact_synonym: 1,2,3,4-tetrahydronaphthalene
has_related_synonym: 132.20228
definition: An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene.
database_cross_reference: Beilstein:1446407
has_related_synonym: C10H12
has_related_synonym: C1CCc2ccccc2C1
database_cross_reference: CAS:119-64-2
id: CHEBI:35008
has_related_synonym: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
database_cross_reference: Gmelin:3348
has_related_synonym: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
database_cross_reference: KEGG:C14114
database_cross_reference: PMID:23732916
database_cross_reference: PMID:24325207
database_cross_reference: Reaxys:1446407
has_exact_synonym: Tetralin
database_cross_reference: Wikipedia:Tetralin
has_related_synonym: benzocyclohexane
has_obo_namespace: chebi_ontology
has_related_synonym: naphthalene 1,2,3,4-tetrahydride
has_related_synonym: tetralene
imported from: chebi.owl

strontium(2+)
type: Class
subclass of: monoatomic dication
subclass of: strontium cation
subclass of: divalent metal cation
has_related_synonym: 87.62000
definition: A strontium cation that has formula Sr.
database_cross_reference: CAS:22537-39-9
has_alternative_id: CHEBI:33514
has_alternative_id: CHEBI:34982
id: CHEBI:35104
has_alternative_id: CHEBI:49891
database_cross_reference: Gmelin:6868
has_related_synonym: InChI=1S/Sr/q+2
database_cross_reference: KEGG:C13884
database_cross_reference: PDBeChem:SR
has_related_synonym: PWYYWQHXAPXYMF-UHFFFAOYSA-N
has_related_synonym: STRONTIUM ION
has_related_synonym: Sr
has_related_synonym: Sr(2+)
has_related_synonym: Sr2+
has_related_synonym: Strontium
has_related_synonym: [Sr++]
has_obo_namespace: chebi_ontology
has_exact_synonym: strontium(2+)
has_exact_synonym: strontium(2+) ion
has_exact_synonym: strontium(II) cation
imported from: chebi.owl

nitrogen hydride
type: Class
subclass of: pnictogen hydride
subclass of: nitrogen molecular entity
id: CHEBI:35106
has_obo_namespace: chebi_ontology
has_related_synonym: nitrogen hydrides
imported from: chebi.owl

azane
type: Class
subclass of: nitrogen hydride
id: CHEBI:35107
definition: Saturated acyclic nitrogen hydrides having the general formula NnHn+2.
has_related_synonym: azanes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental manganese
type: Class
subclass of: manganese molecular entity
id: CHEBI:35115
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aldose phosphate
type: Class
subclass of: phospho sugar
id: CHEBI:35131
has_related_synonym: aldose phosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(6'R)-beta,epsilon-carotene
type: Class
subclass of: alpha-carotene
subclass of: Restriction
  on property: is enantiomer of
  some values from: (6'S)-beta,epsilon-carotene
has_related_synonym: (+)-alpha-carotene
has_exact_synonym: (6'R)-beta,epsilon-carotene
has_related_synonym: 536.87264
has_related_synonym: ANVAOWXLWRTKGA-NTXLUARGSA-N
definition: An alpha-carotene that has formula C40H56.
database_cross_reference: Beilstein:2067409
has_related_synonym: C40H56
database_cross_reference: CAS:7488-99-5
id: CHEBI:35147
database_cross_reference: LIPID_MAPS_instance:LMPR01070011
has_related_synonym: alpha-carotene (natural)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(6'S)-beta,epsilon-carotene
type: Class
subclass of: alpha-carotene
subclass of: Restriction
  on property: is enantiomer of
  some values from: (6'R)-beta,epsilon-carotene
has_exact_synonym: (6'S)-beta,epsilon-carotene
has_related_synonym: 536.87264
has_related_synonym: ANVAOWXLWRTKGA-QTRZAOAUSA-N
definition: An alpha-carotene that has formula C40H56.
database_cross_reference: Beilstein:2682045
has_related_synonym: C40H56
id: CHEBI:35148
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental calcium
type: Class
subclass of: calcium molecular entity
id: CHEBI:35155
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclic carotene
type: Class
subclass of: carotene
id: CHEBI:35163
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic carotene
has_related_synonym: cyclic carotenes
imported from: chebi.owl

Celabenzine
type: Class
subclass of: lactam
subclass of: azamacrocycle
has_related_synonym: 379.496
definition: An azamacrocycle that has formula C23H29N3O2.
has_related_synonym: C23H29N3O2
database_cross_reference: CAS:53938-08-2
id: CHEBI:3518
has_exact_synonym: Celabenzine
has_related_synonym: InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1
database_cross_reference: KEGG:C10578
database_cross_reference: KNApSAcK:C00002322
has_related_synonym: LSYKFBZWBDMZLQ-NRFANRHFSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

terpene
type: Class
subclass of: hydrocarbon
subclass of: isoprenoid
definition: A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2].
id: CHEBI:35186
has_related_synonym: Terpen
has_obo_namespace: chebi_ontology
has_exact_synonym: terpene
has_exact_synonym: terpenes
has_related_synonym: terpenes
has_related_synonym: terpeno
has_related_synonym: terpenos
imported from: chebi.owl

monoterpene
type: Class
subclass of: terpene
definition: A C10 terpene.
id: CHEBI:35187
has_related_synonym: Monoterpen
has_obo_namespace: chebi_ontology
has_exact_synonym: monoterpenes
has_related_synonym: monoterpenes
has_related_synonym: monoterpeno
has_related_synonym: monoterpenos
imported from: chebi.owl

sesquiterpene
type: Class
subclass of: terpene
definition: A C15 terpene.
id: CHEBI:35189
has_related_synonym: Sesquiterpen
has_obo_namespace: chebi_ontology
has_related_synonym: sesquiterpenes
has_exact_synonym: sesquiterpenes
has_related_synonym: sesquiterpeno
has_related_synonym: sesquiterpenos
imported from: chebi.owl

diterpene
type: Class
subclass of: terpene
definition: A C20 terpene.
id: CHEBI:35190
has_related_synonym: Diterpen
has_obo_namespace: chebi_ontology
has_related_synonym: diterpenes
has_exact_synonym: diterpenes
has_related_synonym: diterpeno
has_related_synonym: diterpenos
imported from: chebi.owl

triterpene
type: Class
subclass of: terpene
definition: A C30 terpene.
id: CHEBI:35191
has_related_synonym: Triterpen
has_obo_namespace: chebi_ontology
has_exact_synonym: triterpenes
has_related_synonym: triterpenes
has_related_synonym: triterpeno
has_related_synonym: triterpenos
imported from: chebi.owl

tetraterpene
type: Class
subclass of: terpene
definition: A C40 terpene.
id: CHEBI:35193
has_obo_namespace: chebi_ontology
has_exact_synonym: tetraterpenes
has_related_synonym: tetraterpenes
has_related_synonym: tetraterpeno
has_related_synonym: tetraterpenos
imported from: chebi.owl

alkaline earth coordination entity
type: Class
subclass of: alkaline earth molecular entity
subclass of: main-group coordination entity
id: CHEBI:35217
has_related_synonym: alkaline earth coordination compounds
has_related_synonym: alkaline earth coordination entities
has_exact_synonym: alkaline earth coordination entity
has_obo_namespace: chebi_ontology
imported from: chebi.owl

plant growth retardant
type: Class
subclass of: plant growth regulator
has_alternative_id: CHEBI:26154
has_alternative_id: CHEBI:26156
id: CHEBI:35219
has_obo_namespace: chebi_ontology
has_related_synonym: plant growth inhibitor
has_related_synonym: plant growth inhibitors
has_related_synonym: plant growth retardants
imported from: chebi.owl

inhibitor
type: Class
subclass of: biological role
definition: A substance that diminishes the rate of a chemical reaction.
id: CHEBI:35222
has_obo_namespace: chebi_ontology
has_related_synonym: inhibidor
has_related_synonym: inhibiteur
has_exact_synonym: inhibitor
has_related_synonym: inhibitors
imported from: chebi.owl

cysteine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: cysteine
subclass of: Restriction
  on property: is conjugate acid of
  some values from: cysteinate(1-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: cysteinium
has_related_synonym: (+)H3N-CH(CH2SH)-COO(-)
has_related_synonym: 121.15922
has_related_synonym: 2-ammonio-3-mercaptopropanoate
has_exact_synonym: 2-ammonio-3-sulfanylpropanoate
definition: An amino acid zwitterion that has formula C3H7NO2S.
has_related_synonym: C3H7NO2S
id: CHEBI:35237
database_cross_reference: Gmelin:49992
has_related_synonym: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
has_related_synonym: XUJNEKJLAYXESH-UHFFFAOYSA-N
has_related_synonym: [NH3+]C(CS)C([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: cysteine
has_exact_synonym: cysteine zwitterion
imported from: chebi.owl

amino acid zwitterion
type: Class
subclass of: zwitterion
id: CHEBI:35238
definition: The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group.
has_exact_synonym: amino acid zwitterion
has_obo_namespace: chebi_ontology
imported from: chebi.owl

serine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: serine
has_related_synonym: 105.09262
has_exact_synonym: 2-ammonio-3-hydroxypropanoate
definition: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amnio group of serine.
database_cross_reference: Beilstein:3935647
has_related_synonym: C3H7NO3
id: CHEBI:35243
database_cross_reference: Gmelin:2060272
has_related_synonym: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
has_related_synonym: MTCFGRXMJLQNBG-UHFFFAOYSA-N
has_related_synonym: [NH3+]C(CO)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: serine zwitterion
imported from: chebi.owl

benzofurans
type: Class
subclass of: oxacycle
subclass of: organic heteropolycyclic compound
has_alternative_id: CHEBI:22721
id: CHEBI:35259
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quaternary ammonium ion
type: Class
subclass of: ammonium ion
subclass of: Restriction
  on property: has parent hydride
  some values from: ammonium
has_related_synonym: 14.00670
definition: A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.
has_alternative_id: CHEBI:26470
id: CHEBI:35267
has_alternative_id: CHEBI:8693
database_cross_reference: KEGG:C06703
has_related_synonym: NR4
has_related_synonym: Quaternary amine
has_related_synonym: [*][N+]([*])([*])[*]
has_obo_namespace: chebi_ontology
has_related_synonym: quaternary ammonium
has_exact_synonym: quaternary ammonium ion
has_related_synonym: quaternary ammonium ions
imported from: chebi.owl

ammonium ion
type: Class
subclass of: polyatomic cation
subclass of: nitrogen molecular entity
definition: Ammonium, NH4(+), and derivatives formed by substitution by univalent groups.
id: CHEBI:35274
has_related_synonym: ammonium ions
has_related_synonym: azanium ions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

onium betaine
type: Class
subclass of: zwitterion
id: CHEBI:35281
definition: Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom.
has_exact_synonym: betaines
has_obo_namespace: chebi_ontology
has_related_synonym: onium betaines
imported from: chebi.owl

ammonium betaine
type: Class
subclass of: quaternary nitrogen compound
subclass of: onium betaine
definition: Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom.
id: CHEBI:35284
has_related_synonym: ammonium betaines
has_obo_namespace: chebi_ontology
imported from: chebi.owl

acylcholine
type: Class
subclass of: quaternary ammonium ion
has_related_synonym: 131.17290
definition: A choline ester formed from choline and a carboxylic acid.
has_related_synonym: C6H13NO2R
has_alternative_id: CHEBI:13245
has_alternative_id: CHEBI:22227
has_alternative_id: CHEBI:2463
id: CHEBI:35287
has_related_synonym: C[N+](C)(C)CCOC([*])=O
database_cross_reference: KEGG:C01777
has_related_synonym: acylcholines
has_related_synonym: an acylcholine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

all-trans-retinoate
type: Class
subclass of: retinoate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: all-trans-retinoic acid
has_exact_synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
has_related_synonym: 299.42718
definition: A retinoate that is the conjugate base of all-trans-retinoic acid.
has_related_synonym: C20H27O2
has_related_synonym: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O
has_alternative_id: CHEBI:26535
id: CHEBI:35291
has_related_synonym: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+
database_cross_reference: KEGG:C00777
has_related_synonym: Retinoate
has_related_synonym: SHGAZHPCJJPHSC-YCNIQYBTSA-M
has_exact_synonym: all-trans-Retinoate
has_exact_synonym: all-trans-retinoate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fused compound
type: Class
subclass of: polycyclic compound
id: CHEBI:35293
has_obo_namespace: chebi_ontology
has_related_synonym: fused compounds
has_related_synonym: fused polycyclic compounds
has_related_synonym: fused-ring polycyclic compound
has_related_synonym: fused-ring polycyclic compounds
has_related_synonym: polycyclic fused-ring compounds
imported from: chebi.owl

carbopolycyclic compound
type: Class
subclass of: carbocyclic compound
subclass of: homopolycyclic compound
definition: A polyclic compound in which all of the ring members are carbon atoms.
id: CHEBI:35294
has_related_synonym: carbopolycyclic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

homopolycyclic compound
type: Class
subclass of: homocyclic compound
subclass of: polycyclic compound
id: CHEBI:35295
has_obo_namespace: chebi_ontology
has_related_synonym: homopolycyclic compounds
imported from: chebi.owl

ortho-fused polycyclic arene
type: Class
subclass of: polycyclic arene
subclass of: ortho-fused polycyclic hydrocarbon
id: CHEBI:35296
has_obo_namespace: chebi_ontology
has_related_synonym: ortho-fused polycyclic arenes
imported from: chebi.owl

pentoside
type: Class
subclass of: glycoside
id: CHEBI:35312
has_obo_namespace: chebi_ontology
has_exact_synonym: pentoside
has_related_synonym: pentosides
imported from: chebi.owl

hexoside
type: Class
subclass of: glycoside
id: CHEBI:35313
has_obo_namespace: chebi_ontology
has_exact_synonym: hexoside
has_related_synonym: hexosides
imported from: chebi.owl

glycosiduronic acid
type: Class
subclass of: glycoside
id: CHEBI:35314
has_obo_namespace: chebi_ontology
has_exact_synonym: glycosiduronic acid
has_related_synonym: glycosiduronic acids
imported from: chebi.owl

deoxy hexoside
type: Class
subclass of: glycoside
id: CHEBI:35315
has_obo_namespace: chebi_ontology
has_exact_synonym: deoxy hexoside
has_related_synonym: deoxy hexosides
imported from: chebi.owl

steroid
type: Class
subclass of: lipid
subclass of: organic polycyclic compound
definition: Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene, so may be considered as triterpenoids.
has_alternative_id: CHEBI:13687
has_alternative_id: CHEBI:26768
id: CHEBI:35341
has_alternative_id: CHEBI:9263
database_cross_reference: KEGG:C00377
has_exact_synonym: Steroid
has_obo_namespace: chebi_ontology
has_exact_synonym: steroids
imported from: chebi.owl

3beta-sterol
type: Class
subclass of: sterol
subclass of: 3beta-hydroxy steroid
has_related_synonym: 3beta-Hydroxysteroid
has_related_synonym: 3beta-hydroxysteroids
has_related_synonym: 3beta-sterols
has_alternative_id: CHEBI:1725
has_alternative_id: CHEBI:20248
id: CHEBI:35348
database_cross_reference: KEGG:C02945
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hydroxy steroid
type: Class
subclass of: organic hydroxy compound
subclass of: steroid
has_alternative_id: CHEBI:24748
id: CHEBI:35350
has_alternative_id: CHEBI:5814
has_related_synonym: Hydroxysteroid
database_cross_reference: KEGG:C02159
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy steroids
has_related_synonym: hydroxysteroids
imported from: chebi.owl

organonitrogen compound
type: Class
subclass of: heteroorganic entity
subclass of: nitrogen molecular entity
definition: Any heteroorganic entity containing at least one carbon-nitrogen bond.
id: CHEBI:35352
has_obo_namespace: chebi_ontology
has_exact_synonym: organonitrogen compounds
has_related_synonym: organonitrogens
imported from: chebi.owl

fatty acid
type: Class
subclass of: lipid
subclass of: monocarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: fatty acid anion
has_related_synonym: 45.01740
definition: Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax.
has_alternative_id: CHEBI:13633
has_alternative_id: CHEBI:24024
id: CHEBI:35366
has_alternative_id: CHEBI:4984
has_related_synonym: CHO2R
has_exact_synonym: Fatty acid
has_related_synonym: Fettsaeure
has_related_synonym: Fettsaeuren
database_cross_reference: KEGG:C00162
has_related_synonym: OC([*])=O
database_cross_reference: PMID:14287444
database_cross_reference: PMID:14300208
database_cross_reference: PMID:14328676
database_cross_reference: Wikipedia:Fatty_acid
has_related_synonym: acide gras
has_related_synonym: acides gras
has_related_synonym: acido graso
has_related_synonym: acidos grasos
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acids
has_exact_synonym: fatty acids
imported from: chebi.owl

pentasaccharide
type: Class
subclass of: oligosaccharide
definition: An oligomer comprising five monomeric monosaccharide units.
id: CHEBI:35369
has_obo_namespace: chebi_ontology
has_related_synonym: pentasaccharides
imported from: chebi.owl

alpha-L-arabinoside
type: Class
subclass of: arabinoside
has_related_synonym: C5H9O5R
has_alternative_id: CHEBI:10290
has_alternative_id: CHEBI:22421
id: CHEBI:35376
database_cross_reference: KEGG:C01032
has_exact_synonym: alpha-L-Arabinoside
has_related_synonym: alpha-L-arabinosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monosaccharide
type: Class
subclass of: carbohydrate
has_alternative_id: CHEBI:25407
id: CHEBI:35381
has_alternative_id: CHEBI:6984
database_cross_reference: KEGG:C06698
has_related_synonym: Monosaccharid
has_exact_synonym: Monosaccharide
has_related_synonym: Monosacharid
definition: Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group.
has_obo_namespace: chebi_ontology
has_related_synonym: monosacarido
has_related_synonym: monosacaridos
has_exact_synonym: monosaccharide
has_exact_synonym: monosaccharides
imported from: chebi.owl

aspartate(1-)
type: Class
subclass of: aspartate
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: aspartate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: aspartic acid
has_related_synonym: 132.09478
has_related_synonym: 2-ammoniobutanedioate
has_related_synonym: 2-ammoniosuccinate
definition: An alpha-amino-acid anion that is the conjugate base of aspartic acid.
has_related_synonym: C4H6NO4
has_alternative_id: CHEBI:22659
has_alternative_id: CHEBI:29992
id: CHEBI:35391
has_related_synonym: CKLJMWTZIZZHCS-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1
has_related_synonym: [NH3+]C(CC([O-])=O)C([O-])=O
has_exact_synonym: aspartate(1-)
has_related_synonym: aspartic acid monoanion
has_obo_namespace: chebi_ontology
has_exact_synonym: hydrogen aspartate
imported from: chebi.owl

tartrate(1-)
type: Class
subclass of: 3-carboxy-2,3-dihydroxypropanoate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: tartrate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: tartaric acid
has_related_synonym: 149.07890
definition: A 3-carboxy-2,3-dihydroxypropanoate that is the conjugate base of tartaric acid.
has_related_synonym: C4H5O6
id: CHEBI:35397
has_obo_namespace: chebi_ontology
has_exact_synonym: rel-(2R,3R)-3-carboxy-2,3-dihydroxypropanoate
imported from: chebi.owl

oxoanion
type: Class
subclass of: oxide
subclass of: polyatomic anion
definition: An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen.
has_alternative_id: CHEBI:33274
has_alternative_id: CHEBI:33436
id: CHEBI:35406
has_obo_namespace: chebi_ontology
has_related_synonym: oxoacid anions
has_exact_synonym: oxoanion
has_related_synonym: oxoanions
imported from: chebi.owl

ortho-fused bicyclic arene
type: Class
subclass of: ortho-fused polycyclic arene
subclass of: ortho-fused bicyclic hydrocarbon
id: CHEBI:35426
has_obo_namespace: chebi_ontology
has_exact_synonym: ortho-fused bicyclic arene
has_related_synonym: ortho-fused bicyclic arenes
imported from: chebi.owl

ortho-fused polycyclic hydrocarbon
type: Class
subclass of: ortho-fused compound
id: CHEBI:35427
has_obo_namespace: chebi_ontology
has_exact_synonym: ortho-fused polycyclic hydrocarbon
has_related_synonym: ortho-fused polycyclic hydrocarbons
imported from: chebi.owl

ortho-fused bicyclic hydrocarbon
type: Class
subclass of: ortho-fused compound
subclass of: carbobicyclic compound
id: CHEBI:35428
has_obo_namespace: chebi_ontology
has_exact_synonym: ortho-fused bicyclic hydrocarbon
has_related_synonym: ortho-fused bicyclic hydrocarbons
imported from: chebi.owl

D-glucoside
type: Class
subclass of: glucoside
has_related_synonym: C6H11O6R
has_alternative_id: CHEBI:21009
id: CHEBI:35436
has_alternative_id: CHEBI:4173
has_exact_synonym: D-Glucoside
has_related_synonym: D-glucosides
database_cross_reference: KEGG:C01798
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antiinfective agent
type: Class
subclass of: drug
definition: A substance used in the prophylaxis or therapy of infectious diseases.
id: CHEBI:35441
has_related_synonym: anti-infective agents
has_related_synonym: anti-infective drugs
has_related_synonym: antiinfective agents
has_related_synonym: antiinfective drug
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antiparasitic agent
type: Class
subclass of: antiinfective agent
definition: A substance used to treat or prevent parasitic infections.
id: CHEBI:35442
database_cross_reference: Wikipedia:Antiparasitic
has_related_synonym: antiparasitic drugs
has_related_synonym: antiparasitics
has_obo_namespace: chebi_ontology
has_related_synonym: parasiticides
imported from: chebi.owl

central nervous system drug
type: Class
subclass of: drug
definition: A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
id: CHEBI:35470
has_related_synonym: CNS agent
has_related_synonym: CNS drugs
has_related_synonym: central nervous system agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anti-inflammatory drug
type: Class
subclass of: drug
subclass of: anti-inflammatory agent
definition: A substance that reduces or suppresses inflammation.
id: CHEBI:35472
has_related_synonym: anti-inflammatory drugs
has_related_synonym: antiinflammatory agent
has_related_synonym: antiinflammatory drug
has_related_synonym: antiinflammatory drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

analgesic
type: Class
subclass of: drug
subclass of: pharmacological role
definition: An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
id: CHEBI:35480
has_obo_namespace: chebi_ontology
imported from: chebi.owl

non-narcotic analgesic
type: Class
subclass of: analgesic
definition: A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
id: CHEBI:35481
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phthalate ester
type: Class
subclass of: dicarboxylic acids and O-substituted derivatives
subclass of: benzenes
subclass of: carboxylic ester
subclass of: aromatic ester
subclass of: Restriction
  on property: has functional parent
  some values from: phthalic acid
id: CHEBI:35484
has_obo_namespace: chebi_ontology
has_related_synonym: phthalate esters
imported from: chebi.owl

central nervous system depressant
type: Class
subclass of: central nervous system drug
definition: A loosely defined group of drugs that tend to reduce the activity of the central nervous system.
id: CHEBI:35488
has_related_synonym: CNS depressants
has_related_synonym: central nervous system depressants
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic disulfide
type: Class
subclass of: organosulfur compound
subclass of: disulfide
has_related_synonym: 64.13000
id: CHEBI:35489
definition: Compounds of structure RSSR in which R and R' are organic groups.
has_related_synonym: S2R2
has_related_synonym: [*]SS[*]
has_obo_namespace: chebi_ontology
has_exact_synonym: disulfides
has_related_synonym: organic disulfides
imported from: chebi.owl

cystine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is tautomer of
  some values from: cystine
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 240.30256
has_exact_synonym: 3,3'-disulfanediylbis(2-ammoniopropanoate)
has_related_synonym: 3,3'-dithiobis(2-ammoniopropanoate)
definition: An amino acid zwitterion that is the tautomer of cystine.
has_related_synonym: C6H12N2O4S2
id: CHEBI:35492
database_cross_reference: Gmelin:51007
has_related_synonym: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
has_related_synonym: LEVWYRKDKASIDU-UHFFFAOYSA-N
has_related_synonym: [NH3+]C(CSSCC([NH3+])C([O-])=O)C([O-])=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antipyretic
type: Class
subclass of: drug
definition: A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever.
id: CHEBI:35493
database_cross_reference: Wikipedia:Antipyretic
has_related_synonym: anti-pyretic
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alkaloid fundamental parent
type: Class
subclass of: natural product fundamental parent
id: CHEBI:35506
has_related_synonym: alkaloid fundamental parents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

natural product fundamental parent
type: Class
subclass of: organic fundamental parent
id: CHEBI:35507
has_obo_namespace: chebi_ontology
has_exact_synonym: natural product fundamental parents
imported from: chebi.owl

steroid fundamental parent
type: Class
subclass of: steroid
subclass of: natural product fundamental parent
id: CHEBI:35508
has_obo_namespace: chebi_ontology
has_related_synonym: steroid fundamental parents
imported from: chebi.owl

ergostane
type: Class
subclass of: steroid fundamental parent
has_related_synonym: 386.69660
definition: A steroid fundamental parent that has formula C28H50.
has_related_synonym: C28H50
id: CHEBI:35512
has_related_synonym: InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1
database_cross_reference: LIPID_MAPS_instance:LMST01030000
database_cross_reference: LIPID_MAPS_instance:LMST01040001
has_related_synonym: WAAWMJYYKITCGF-ADGVWNIHSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: ergostane
imported from: chebi.owl

cholestane
type: Class
subclass of: steroid fundamental parent
has_related_synonym: 372.67002
definition: A steroid fundamental parent that has formula C27H48.
database_cross_reference: Beilstein:5334741
has_related_synonym: C27H48
database_cross_reference: CAS:14982-53-7
id: CHEBI:35516
has_related_synonym: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
database_cross_reference: LIPID_MAPS_instance:LMST01010000
database_cross_reference: Wikipedia:Cholestane
has_related_synonym: XIIAYQZJNBULGD-LDHZKLTISA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: cholestane
imported from: chebi.owl

campestane
type: Class
subclass of: steroid fundamental parent
has_related_synonym: 386.69660
definition: A steroid fundamental parent that has formula C28H50.
has_related_synonym: C28H50
id: CHEBI:35518
has_related_synonym: InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21-,22?,23+,24-,25+,26+,27+,28-/m1/s1
database_cross_reference: LIPID_MAPS_instance:LMST01030001
has_related_synonym: WAAWMJYYKITCGF-SULSJXDKSA-N
has_exact_synonym: campestane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hypoglycemic agent
type: Class
subclass of: drug
definition: A drug which lowers the blood glucose level.
id: CHEBI:35526
has_related_synonym: antidiabetic
has_related_synonym: antihyperglycemic
has_related_synonym: antihyperglycemic agent
has_related_synonym: antihyperglycemic agents
has_related_synonym: antihyperglycemic drug
has_related_synonym: antihyperglycemic drugs
has_related_synonym: antihyperglycemics
has_obo_namespace: chebi_ontology
has_related_synonym: hypoglycemic agents
has_related_synonym: hypoglycemic drug
has_related_synonym: hypoglycemic drugs
imported from: chebi.owl

EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
type: Class
subclass of: EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
has_related_synonym: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor
has_related_synonym: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors
has_related_synonym: (PG)H synthase inhibitor
has_related_synonym: (PG)H synthase inhibitors
definition: A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
id: CHEBI:35544
has_related_synonym: COX inhibitor
has_related_synonym: EC 1.14.99.1 (cyclooxygenase) inhibitor
has_related_synonym: EC 1.14.99.1 (cyclooxygenase) inhibitors
has_related_synonym: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors
has_related_synonym: EC 1.14.99.1 inhibitor
has_related_synonym: EC 1.14.99.1 inhibitors
has_related_synonym: PG synthetase inhibitor
has_related_synonym: PG synthetase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: cyclooxygenase (EC 1.14.99.1) inhibitor
has_related_synonym: cyclooxygenase (EC 1.14.99.1) inhibitors
has_related_synonym: cyclooxygenase inhibitor
has_related_synonym: cyclooxygenase inhibitors
has_related_synonym: fatty acid cyclooxygenase inhibitor
has_related_synonym: fatty acid cyclooxygenase inhibitors
has_related_synonym: prostaglandin G/H synthase inhibitor
has_related_synonym: prostaglandin G/H synthase inhibitors
has_related_synonym: prostaglandin endoperoxide synthetase inhibitor
has_related_synonym: prostaglandin endoperoxide synthetase inhibitors
has_related_synonym: prostaglandin synthase inhibitor
has_related_synonym: prostaglandin synthase inhibitors
has_related_synonym: prostaglandin synthetase inhibitor
has_related_synonym: prostaglandin synthetase inhibitors
imported from: chebi.owl

heterocyclic organic fundamental parent
type: Class
subclass of: organic fundamental parent
id: CHEBI:35552
has_obo_namespace: chebi_ontology
has_related_synonym: heterocyclic fundamental parent
has_related_synonym: heterocyclic organic fundamental parents
has_exact_synonym: heterocyclic parent hydrides
has_related_synonym: organic heterocyclic fundamental parents
imported from: chebi.owl

cardiovascular drug
type: Class
subclass of: drug
definition: A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
id: CHEBI:35554
has_related_synonym: cardiovascular agent
has_related_synonym: cardiovascular drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

mancude organic heteromonocyclic parent
type: Class
subclass of: organic heteromonocyclic compound
subclass of: mancude organic heterocyclic parent
id: CHEBI:35555
has_obo_namespace: chebi_ontology
has_related_synonym: mancude organic heteromonocyclic parents
has_related_synonym: mancude-ring organic heteromonocyclic parents
imported from: chebi.owl

furan
type: Class
subclass of: furans
subclass of: mancude organic heteromonocyclic parent
subclass of: monocyclic heteroarene
subclass of: Restriction
  on property: has role
  some values from: carcinogenic agent
subclass of: Restriction
  on property: has role
  some values from: Maillard reaction product
subclass of: Restriction
  on property: has role
  some values from: hepatotoxic agent
has_related_synonym: 1,4-epoxy-1,3-butadiene
has_related_synonym: 68.07400
definition: A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.
database_cross_reference: Beilstein:103221
has_related_synonym: C4H4O
database_cross_reference: CAS:110-00-9
has_alternative_id: CHEBI:30855
has_alternative_id: CHEBI:34767
id: CHEBI:35559
has_exact_synonym: Furan
database_cross_reference: Gmelin:25716
database_cross_reference: HMDB:HMDB13785
has_related_synonym: InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
database_cross_reference: KEGG:C14275
database_cross_reference: LINCS:LSM-37156
database_cross_reference: PMID:16006568
database_cross_reference: PMID:17224250
database_cross_reference: PMID:22079235
database_cross_reference: PMID:22542513
database_cross_reference: PMID:22641279
database_cross_reference: PMID:22865590
database_cross_reference: PMID:9169064
database_cross_reference: Reaxys:103221
database_cross_reference: Wikipedia:Furan
has_related_synonym: YLQBMQCUIZJEEH-UHFFFAOYSA-N
has_related_synonym: c1ccoc1
has_obo_namespace: chebi_ontology
has_related_synonym: divinylene oxide
has_exact_synonym: furan
has_related_synonym: furane
has_related_synonym: oxacyclopentadiene
has_related_synonym: oxole
has_related_synonym: tetrole
imported from: chebi.owl

mancude ring
type: Class
subclass of: molecular entity
definition: Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds.
id: CHEBI:35568
has_obo_namespace: chebi_ontology
has_related_synonym: mancude rings
has_exact_synonym: mancude-ring systems
has_related_synonym: mancunide-ring systems
imported from: chebi.owl

mancude organic heterobicyclic parent
type: Class
subclass of: organic heterobicyclic compound
subclass of: mancude organic heterocyclic parent
id: CHEBI:35570
has_obo_namespace: chebi_ontology
has_related_synonym: mancude organic heterobicyclic parents
has_related_synonym: mancude-ring organic heterobicyclic parents
imported from: chebi.owl

mancude organic heterocyclic parent
type: Class
subclass of: heterocyclic organic fundamental parent
subclass of: organic mancude parent
id: CHEBI:35571
has_obo_namespace: chebi_ontology
has_related_synonym: mancude organic heterocyclic parents
has_related_synonym: mancude-ring organic heterocyclic parents
imported from: chebi.owl

organic mancude parent
type: Class
subclass of: organic fundamental parent
subclass of: mancude ring
id: CHEBI:35573
has_obo_namespace: chebi_ontology
has_related_synonym: organic mancude parents
has_related_synonym: organic mancude-ring parents
imported from: chebi.owl

N-oxide
type: Class
subclass of: oxide
id: CHEBI:35580
has_exact_synonym: N-oxide
has_related_synonym: N-oxides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

purine
type: Class
subclass of: purines
subclass of: mancude organic heterobicyclic parent
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
definition: A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines.
has_related_synonym: C5H4N4
id: CHEBI:35584
database_cross_reference: HMDB:HMDB01366
database_cross_reference: KEGG:C15587
database_cross_reference: MetaCyc:PURINE
database_cross_reference: PMID:12865945
database_cross_reference: PMID:24088627
has_obo_namespace: chebi_ontology
has_exact_synonym: purine
imported from: chebi.owl

1H-purine
type: Class
subclass of: purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 9H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 3H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 7H-purine
has_related_synonym: 120.11210
has_exact_synonym: 1H-purine
has_related_synonym: C5H4N4
id: CHEBI:35586
database_cross_reference: Gmelin:2379911
has_related_synonym: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
has_related_synonym: KDCGOANMDULRCW-UHFFFAOYSA-N
definition: The 1H-tautomer of purine.
has_related_synonym: c1nc2c[nH]cnc2n1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3H-purine
type: Class
subclass of: purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 9H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 7H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 1H-purine
has_related_synonym: 120.11222
has_exact_synonym: 3H-purine
has_related_synonym: C5H4N4
id: CHEBI:35588
has_related_synonym: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
has_related_synonym: KDCGOANMDULRCW-UHFFFAOYSA-N
database_cross_reference: PMID:6149478
database_cross_reference: PMID:7178185
database_cross_reference: PMID:7296170
database_cross_reference: Reaxys:1210196
definition: The 3H-tautomer of purine.
has_related_synonym: c1nc2cnc[nH]c2n1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

9H-purine
type: Class
subclass of: purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 3H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 7H-purine
subclass of: Restriction
  on property: is tautomer of
  some values from: 1H-purine
has_related_synonym: 120.11222
has_exact_synonym: 9H-purine
database_cross_reference: Beilstein:606899
has_related_synonym: C5H4N4
database_cross_reference: CAS:120-73-0
id: CHEBI:35589
database_cross_reference: Gmelin:3120
has_related_synonym: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
has_related_synonym: KDCGOANMDULRCW-UHFFFAOYSA-N
definition: The 9H-tautomer of purine.
database_cross_reference: Wikipedia:Purine
has_related_synonym: c1ncc2nc[nH]c2n1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2H-pyran
type: Class
subclass of: pyran
subclass of: Restriction
  on property: is tautomer of
  some values from: 4H-pyran
has_exact_synonym: 2H-pyran
has_related_synonym: 82.10054
definition: A pyran that has formula C5H6O.
database_cross_reference: Beilstein:3535541
has_related_synonym: C1OC=CC=C1
has_related_synonym: C5H6O
id: CHEBI:35592
has_related_synonym: InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2
has_related_synonym: MGADZUXDNSDTHW-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

4H-pyran
type: Class
subclass of: pyran
subclass of: Restriction
  on property: is tautomer of
  some values from: 2H-pyran
has_exact_synonym: 4H-pyran
has_related_synonym: 82.10050
definition: A pyran that has formula C5H6O.
database_cross_reference: Beilstein:1421312
has_related_synonym: C1C=COC=C1
has_related_synonym: C5H6O
database_cross_reference: CAS:289-65-6
id: CHEBI:35593
has_related_synonym: InChI=1S/C5H6O/c1-2-4-6-5-3-1/h2-5H,1H2
has_related_synonym: MRUWJENAYHTDQG-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pyran
type: Class
subclass of: pyrans
subclass of: mancude organic heteromonocyclic parent
has_related_synonym: C5H6O
id: CHEBI:35594
has_obo_namespace: chebi_ontology
has_exact_synonym: pyran
imported from: chebi.owl

carbon oxoanion
type: Class
subclass of: organic anion
subclass of: oxoanion
subclass of: organooxygen compound
definition: A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n.
id: CHEBI:35604
has_exact_synonym: carbon oxoanion
has_related_synonym: carbon oxoanions
has_obo_namespace: chebi_ontology
has_related_synonym: oxocarbon anion
has_related_synonym: oxocarbon anions
imported from: chebi.owl

carbon oxoacid
type: Class
subclass of: oxoacid
subclass of: organooxygen compound
id: CHEBI:35605
has_related_synonym: carbon oxoacids
has_obo_namespace: chebi_ontology
has_related_synonym: oxoacids of carbon
imported from: chebi.owl

antineoplastic agent
type: Class
subclass of: drug
definition: A substance that inhibits or prevents the proliferation of neoplasms.
id: CHEBI:35610
has_related_synonym: anticancer agent
has_related_synonym: anticancer agents
has_related_synonym: antineoplastic
has_related_synonym: antineoplastic agents
has_obo_namespace: chebi_ontology
has_related_synonym: cytostatic
imported from: chebi.owl

flavouring agent
type: Class
subclass of: food additive
definition: A food additive that is used to added improve the taste or odour of a food.
id: CHEBI:35617
has_obo_namespace: chebi_ontology
has_related_synonym: flavoring agent
has_related_synonym: flavoring agents
has_related_synonym: flavour enhancer
has_related_synonym: flavour enhancers
has_related_synonym: flavouring agents
imported from: chebi.owl

aromatic ether
type: Class
subclass of: ether
subclass of: organic aromatic compound
definition: Any ether in which the oxygen is attached to at least one aryl substituent.
id: CHEBI:35618
has_obo_namespace: chebi_ontology
imported from: chebi.owl

vasodilator agent
type: Class
subclass of: cardiovascular drug
definition: A drug used to cause dilation of the blood vessels.
id: CHEBI:35620
has_obo_namespace: chebi_ontology
has_related_synonym: vasodilator
has_related_synonym: vasodilator agents
imported from: chebi.owl

anticonvulsant
type: Class
subclass of: central nervous system depressant
definition: A drug used to prevent seizures or reduce their severity.
has_related_synonym: Antiepileptika
has_related_synonym: Antiepileptikum
has_related_synonym: Antikonvulsiva
has_related_synonym: Antikonvulsivum
id: CHEBI:35623
has_related_synonym: anti-convulsant
has_related_synonym: anti-convulsants
has_related_synonym: anti-convulsive agent
has_related_synonym: anti-convulsive agents
has_related_synonym: anticonvulsants
has_related_synonym: anticonvulsive agent
has_related_synonym: anticonvulsive agents
has_related_synonym: antiepileptic
has_related_synonym: antiepileptics
has_related_synonym: antiepileptique
has_related_synonym: antiepileptiques
has_obo_namespace: chebi_ontology
imported from: chebi.owl

morphinan
type: Class
subclass of: morphinane alkaloid
subclass of: isoquinoline alkaloid fundamental parent
has_related_synonym: 227.34468
definition: An isoquinoline alkaloid fundamental parent that has formula C16H21N.
database_cross_reference: Beilstein:1375527
has_related_synonym: C16H21N
id: CHEBI:35649
has_related_synonym: INAXVFBXDYWQFN-XHSDSOJGSA-N
has_related_synonym: InChI=1S/C16H21N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15+,16-/m0/s1
has_obo_namespace: chebi_ontology
has_exact_synonym: morphinan
imported from: chebi.owl

terpenoid fundamental parent
type: Class
subclass of: natural product fundamental parent
id: CHEBI:35662
has_obo_namespace: chebi_ontology
has_related_synonym: terpenoid fundamental parents
imported from: chebi.owl

abietane
type: Class
subclass of: diterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 276.49980
definition: A diterpene that has formula C20H36.
database_cross_reference: Beilstein:2500550
has_related_synonym: C20H36
id: CHEBI:35673
has_related_synonym: InChI=1S/C20H36/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h14-18H,6-13H2,1-5H3/t15-,16-,17-,18-,20+/m0/s1
has_related_synonym: STIVVCHBLMGYSL-ZYNAIFEFSA-N
has_exact_synonym: abietane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antihypertensive agent
type: Class
subclass of: cardiovascular drug
definition: Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
id: CHEBI:35674
has_related_synonym: antihypertensive
has_related_synonym: antihypertensive agents
has_related_synonym: antihypertensive drug
has_related_synonym: antihypertensive drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antilipemic drug
type: Class
subclass of: drug
definition: A substance used to treat hyperlipidemia (an excess of lipids in the blood).
id: CHEBI:35679
database_cross_reference: Wikipedia:Hypolipidemic_agent
has_related_synonym: antihyperlipemic
has_related_synonym: antihyperlipemics
has_related_synonym: antihyperlipidemic
has_related_synonym: antihyperlipidemic agent
has_related_synonym: antihyperlipidemic agents
has_related_synonym: antihyperlipidemic drug
has_related_synonym: antihyperlipidemic drugs
has_related_synonym: antihyperlipidemics
has_related_synonym: antilipemic
has_related_synonym: antilipemic drugs
has_related_synonym: antilipemics
has_obo_namespace: chebi_ontology
has_related_synonym: hypolipidemic agent
has_related_synonym: hypolipidemic agents
imported from: chebi.owl

secondary alcohol
type: Class
subclass of: alcohol
has_related_synonym: 30.02600
has_related_synonym: 58.07910
definition: A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
has_related_synonym: CH2OR2
has_alternative_id: CHEBI:13425
has_alternative_id: CHEBI:13686
has_alternative_id: CHEBI:26617
id: CHEBI:35681
has_alternative_id: CHEBI:58662
has_alternative_id: CHEBI:8741
has_alternative_id: CHEBI:9077
database_cross_reference: KEGG:C00432
database_cross_reference: KEGG:C01612
has_related_synonym: OC([*])[*]
has_related_synonym: R-CHOH-R'
has_exact_synonym: Secondary alcohol
has_related_synonym: a secondary alcohol
has_obo_namespace: chebi_ontology
has_related_synonym: secondary alcohols
imported from: chebi.owl

dicarboxylic acid
type: Class
subclass of: dicarboxylic acids and O-substituted derivatives
subclass of: carboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: dicarboxylic acid anion
definition: Any carboxylic acid containing two carboxy groups.
has_alternative_id: CHEBI:23692
id: CHEBI:35692
has_alternative_id: CHEBI:36172
has_alternative_id: CHEBI:4501
has_exact_synonym: Dicarboxylic acid
database_cross_reference: KEGG:C02028
has_obo_namespace: chebi_ontology
has_related_synonym: dicarboxylic acids
imported from: chebi.owl

dicarboxylic acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: dicarboxylic acid
id: CHEBI:35693
has_obo_namespace: chebi_ontology
has_exact_synonym: dicarboxylic acid anion
has_related_synonym: dicarboxylic acid anions
imported from: chebi.owl

dicarboxylic acid monoanion
type: Class
subclass of: dicarboxylic acid anion
definition: Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid.
id: CHEBI:35695
has_obo_namespace: chebi_ontology
has_related_synonym: dicarboxylic acid monoanions
imported from: chebi.owl

ester
type: Class
subclass of: organooxygen compound
definition: A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter.
has_alternative_id: CHEBI:23960
id: CHEBI:35701
has_alternative_id: CHEBI:4859
has_exact_synonym: Ester
database_cross_reference: KEGG:C00287
database_cross_reference: Wikipedia:Ester
has_obo_namespace: chebi_ontology
has_related_synonym: esters
imported from: chebi.owl

immunosuppressive agent
type: Class
subclass of: immunomodulator
definition: An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
id: CHEBI:35705
has_obo_namespace: chebi_ontology
has_related_synonym: immunosuppressant
has_related_synonym: immunosuppressive agents
has_related_synonym: inmunosupresor
imported from: chebi.owl

thujane
type: Class
subclass of: monoterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 1-isopropyl-4-methylbicyclo[3.1.0]hexane
has_related_synonym: 138.24992
has_related_synonym: 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane
has_exact_synonym: 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane
definition: A monoterpene that has formula C10H18.
database_cross_reference: Beilstein:2496757
has_related_synonym: C10H18
database_cross_reference: CAS:471-12-5
has_related_synonym: CC(C)C12CCC(C)C1C2
id: CHEBI:35709
has_related_synonym: GCTNBVHDRFKLLK-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
database_cross_reference: LIPID_MAPS_instance:LMPR0102120029
has_obo_namespace: chebi_ontology
has_related_synonym: dihydrosabinene
has_exact_synonym: thujane
imported from: chebi.owl

pinane
type: Class
subclass of: monoterpene
subclass of: terpenoid fundamental parent
subclass of: carbobicyclic compound
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 138.24992
has_exact_synonym: 2,6,6-trimethylbicyclo[3.1.1]heptane
definition: A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6.
database_cross_reference: Beilstein:1847301
has_related_synonym: C10H18
database_cross_reference: CAS:473-55-2
has_related_synonym: CC1CCC2CC1C2(C)C
id: CHEBI:35710
has_related_synonym: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
database_cross_reference: LIPID_MAPS_instance:LMPR0102120026
database_cross_reference: Reaxys:1847301
has_related_synonym: XOKSLPVRUOBDEW-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: dihydropinene
has_exact_synonym: pinane
imported from: chebi.owl

ursane
type: Class
subclass of: triterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 412.73388
definition: A triterpene that has formula C30H52.
database_cross_reference: Beilstein:3207208
has_related_synonym: C30H52
id: CHEBI:35711
has_related_synonym: InChI=1S/C30H52/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t20-,21+,22-,23+,24-,25+,27-,28+,29-,30-/m1/s1
has_related_synonym: OOTXFYSZXCPMPG-BMYLZFHVSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: ursane
imported from: chebi.owl

antifungal agent
type: Class
subclass of: antimicrobial agent
definition: An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
id: CHEBI:35718
has_related_synonym: antifungal
has_related_synonym: antifungal agents
has_related_synonym: antifungal drug
has_related_synonym: antifungal drugs
has_related_synonym: antifungals
has_obo_namespace: chebi_ontology
imported from: chebi.owl

liposaccharide
type: Class
subclass of: lipid
subclass of: carbohydrate derivative
id: CHEBI:35740
has_obo_namespace: chebi_ontology
has_related_synonym: liposaccharides
imported from: chebi.owl

fatty aldehyde
type: Class
subclass of: aliphatic aldehyde
has_related_synonym: 29.01800
definition: An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain.
id: CHEBI:35746
has_related_synonym: CHOR
database_cross_reference: PMID:15210368
database_cross_reference: PMID:21341652
database_cross_reference: PMID:21347727
has_related_synonym: [*]C=O
has_related_synonym: a fatty aldehyde
has_obo_namespace: chebi_ontology
has_related_synonym: fatty aldehydes
imported from: chebi.owl

fatty acid ester
type: Class
subclass of: lipid
subclass of: carboxylic ester
subclass of: Restriction
  on property: has functional parent
  some values from: fatty acid
has_related_synonym: 44.00950
definition: A carboxylic ester in which the carboxylic acid component can be any fatty acid.
has_alternative_id: CHEBI:27315
has_alternative_id: CHEBI:35747
id: CHEBI:35748
has_alternative_id: CHEBI:78205
has_related_synonym: CO2R2
has_related_synonym: [*]OC([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid esters
imported from: chebi.owl

tricarboxylic acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: tricarboxylic acid
definition: Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group.
id: CHEBI:35753
has_obo_namespace: chebi_ontology
has_exact_synonym: tricarboxylic acid anion
has_related_synonym: tricarboxylic acid anions
imported from: chebi.owl

monocarboxylic acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: monocarboxylic acid
has_related_synonym: 44.01000
definition: A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated.
has_alternative_id: CHEBI:13657
has_alternative_id: CHEBI:25382
has_alternative_id: CHEBI:3407
id: CHEBI:35757
has_related_synonym: CO2R
has_related_synonym: Carboxylate
database_cross_reference: KEGG:C00060
has_related_synonym: Monocarboxylate
has_related_synonym: [O-]C([*])=O
has_related_synonym: a monocarboxylate
has_obo_namespace: chebi_ontology
has_related_synonym: monocarboxylates
has_related_synonym: monocarboxylic acid anions
imported from: chebi.owl

phosphate ion
type: Class
subclass of: phosphorus oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: phosphoric acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
definition: A phosphorus oxoanion that is the conjugate base of phosphoric acid.
id: CHEBI:35780
has_related_synonym: Pi
has_obo_namespace: chebi_ontology
has_related_synonym: phosphate
has_related_synonym: phosphate ions
imported from: chebi.owl

bornane
type: Class
subclass of: monoterpene
subclass of: terpenoid fundamental parent
has_exact_synonym: 1,7,7-trimethylbicyclo[2.2.1]heptane
has_related_synonym: 138.24992
definition: A monoterpene that has formula C10H18.
has_related_synonym: BEWYHVAWEKZDPP-UHFFFAOYSA-N
database_cross_reference: Beilstein:1900804
has_related_synonym: C10H18
database_cross_reference: CAS:464-15-3
has_related_synonym: CC1(C)C2CCC1(C)CC2
id: CHEBI:35783
database_cross_reference: DrugBank:DB04501
has_related_synonym: InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3
database_cross_reference: LIPID_MAPS_instance:LMPR0102120000
database_cross_reference: LIPID_MAPS_instance:LMPR0102120026
has_exact_synonym: bornane
has_related_synonym: bornylane
has_related_synonym: camphane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

seco-steroid
type: Class
subclass of: steroid
id: CHEBI:35788
has_obo_namespace: chebi_ontology
has_related_synonym: seco-steroids
imported from: chebi.owl

oxo steroid
type: Class
subclass of: ketone
subclass of: steroid
has_alternative_id: CHEBI:24979
has_alternative_id: CHEBI:25804
id: CHEBI:35789
has_obo_namespace: chebi_ontology
has_related_synonym: keto steroids
has_related_synonym: ketosteroids
has_related_synonym: oxo steroids
has_related_synonym: oxosteroids
imported from: chebi.owl

citrate(1-)
type: Class
subclass of: tricarboxylic acid monoanion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: citric acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: citrate(2-)
has_related_synonym: 191.11558
definition: A tricarboxylic acid monoanion that is the conjugate base of citric acid, obtained by deprotonation of one of the three carboxy groups.
has_related_synonym: C6H7O7
id: CHEBI:35804
has_related_synonym: H2cit
has_related_synonym: H2cit(-)
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydrogen citrate
imported from: chebi.owl

citrate(2-)
type: Class
subclass of: tricarboxylic acid dianion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: citrate(1-)
subclass of: Restriction
  on property: is conjugate acid of
  some values from: citrate(3-)
has_related_synonym: 190.10764
definition: A tricarboxylic acid dianion obtained by deprotonation of two of the three carboxy groups of citric acid.
has_related_synonym: C6H6O7
id: CHEBI:35808
has_related_synonym: Hcit
has_related_synonym: Hcit(2-)
has_obo_namespace: chebi_ontology
has_exact_synonym: hydrogen citrate
imported from: chebi.owl

branched-chain fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: branched-chain fatty acid anion
definition: Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids.
has_related_synonym: BCFA
has_related_synonym: BCFAs
has_related_synonym: Branched chain fatty acid
has_alternative_id: CHEBI:22919
has_alternative_id: CHEBI:3166
id: CHEBI:35819
database_cross_reference: KEGG:C05996
database_cross_reference: PMID:18318842
has_related_synonym: branched fatty acid
has_related_synonym: branched fatty acids
has_related_synonym: branched-chain fatty acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antiprotozoal drug
type: Class
subclass of: antiparasitic agent
subclass of: antimicrobial drug
definition: Any antimicrobial drug which is used to treat or prevent protozoal infections.
id: CHEBI:35820
database_cross_reference: Wikipedia:Antiprotozoal_agent
has_related_synonym: antiprotozoal agent
has_related_synonym: antiprotozoal agents
has_related_synonym: antiprotozoal drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anticholesteremic drug
type: Class
subclass of: antilipemic drug
definition: A substance used to lower plasma cholesterol levels.
id: CHEBI:35821
has_alternative_id: CHEBI:64906
has_related_synonym: anticholesteremic
has_related_synonym: anticholesteremic agent
has_related_synonym: anticholesteremic drugs
has_related_synonym: antihypercholesterolemic
has_related_synonym: antihypercholesterolemic agent
has_related_synonym: antihypercholesterolemic agents
has_related_synonym: antihypercholesterolemic drug
has_related_synonym: antihypercholesterolemic drugs
has_related_synonym: antihypercholesterolemics
has_obo_namespace: chebi_ontology
has_related_synonym: cholesterol inhibitor
has_related_synonym: hypocholesteremic agent
imported from: chebi.owl

lipoxygenase inhibitor
type: Class
subclass of: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor
definition: A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.
id: CHEBI:35856
has_obo_namespace: chebi_ontology
has_related_synonym: lipooxygenase inhibitor
has_related_synonym: lipoxygenase inhibitors
imported from: chebi.owl

hydroxy monocarboxylic acid
type: Class
subclass of: hydroxy carboxylic acid
subclass of: monocarboxylic acid
id: CHEBI:35868
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy acid
has_related_synonym: hydroxy monocarboxylic acids
imported from: chebi.owl

imidazopyrimidine
type: Class
subclass of: organic heterobicyclic compound
subclass of: heteroarene
subclass of: organonitrogen heterocyclic compound
id: CHEBI:35875
has_obo_namespace: chebi_ontology
has_related_synonym: imidazopyrimidines
imported from: chebi.owl

pnictogen hydride
type: Class
subclass of: inorganic hydride
subclass of: pnictogen molecular entity
id: CHEBI:35881
has_obo_namespace: chebi_ontology
has_exact_synonym: pnictogen hydride
has_related_synonym: pnictogen hydrides
imported from: chebi.owl

glutarate(1-)
type: Class
subclass of: glutarate
subclass of: dicarboxylic acid monoanion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glutarate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: glutaric acid
has_related_synonym: 131.10668
has_exact_synonym: 4-carboxybutanoate
definition: A dicarboxylic acid monoanion that is the conjugate base of glutaric acid.
database_cross_reference: Beilstein:3904478
has_related_synonym: C5H7O4
has_alternative_id: CHEBI:30922
has_alternative_id: CHEBI:35906
id: CHEBI:35907
database_cross_reference: Gmelin:326031
has_related_synonym: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-1
has_related_synonym: JFCQEDHGNNZCLN-UHFFFAOYSA-M
has_related_synonym: OC(=O)CCCC([O-])=O
database_cross_reference: Reaxys:3904478
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen glutarate
imported from: chebi.owl

aconitane
type: Class
subclass of: diterpene alkaloid
subclass of: terpene alkaloid fundamental parent
has_related_synonym: 257.41372
definition: A terpene alkaloid fundamental parent that has formula C18H27N.
has_related_synonym: C18H27N
id: CHEBI:35911
has_related_synonym: InChI=1S/C18H27N/c1-2-11-9-19-17-14-8-15(11)18(17,5-1)16-7-10-3-4-12(14)13(16)6-10/h10-17,19H,1-9H2/t10-,11+,12+,13-,14-,15-,16-,17?,18+/m1/s1
has_related_synonym: YGJXLMNSTLJAMX-GCUFGPJWSA-N
has_exact_synonym: aconitane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sterol ester
type: Class
subclass of: carboxylic ester
subclass of: steroid ester
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_alternative_id: CHEBI:13220
has_alternative_id: CHEBI:15115
has_alternative_id: CHEBI:26770
has_alternative_id: CHEBI:26772
id: CHEBI:35915
has_alternative_id: CHEBI:9268
has_alternative_id: CHEBI:9269
database_cross_reference: KEGG:C01958
has_exact_synonym: Sterol ester
has_related_synonym: Steryl ester
has_obo_namespace: chebi_ontology
has_related_synonym: steryl ester
imported from: chebi.owl

evonine
type: Class
subclass of: pyridine alkaloid
subclass of: pyridine alkaloid fundamental parent
has_related_synonym: 761.72316
definition: A pyridine alkaloid fundamental parent that has formula C36H43NO17.
database_cross_reference: Beilstein:4946284
has_related_synonym: C36H43NO17
database_cross_reference: CAS:33458-64-9
id: CHEBI:35934
has_related_synonym: IMIAGCONYJPMDY-MCLCTUEFSA-N
has_related_synonym: InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23-,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1
has_obo_namespace: chebi_ontology
has_exact_synonym: evonine
imported from: chebi.owl

neurotransmitter agent
type: Class
subclass of: drug
subclass of: pharmacological role
definition: A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
id: CHEBI:35942
has_obo_namespace: chebi_ontology
has_related_synonym: neurotransmitter agents
imported from: chebi.owl

3-hydroxy monocarboxylic acid
type: Class
subclass of: hydroxy monocarboxylic acid
subclass of: 3-hydroxy carboxylic acid
has_related_synonym: 3-hydroxy acid
has_related_synonym: 3-hydroxy monocarboxylic acids
definition: A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group.
id: CHEBI:35969
has_related_synonym: beta-hydroxy acid
has_related_synonym: beta-hydroxy acids
has_related_synonym: beta-hydroxy carboxylic acid
has_related_synonym: beta-hydroxy carboxylic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

dihydroxy monocarboxylic acid
type: Class
subclass of: hydroxy monocarboxylic acid
definition: Any hydroxy monocarboxylic acid carrying at least two hydroxy groups.
id: CHEBI:35972
has_obo_namespace: chebi_ontology
has_related_synonym: dihydroxy monocarboxylic acids
imported from: chebi.owl

nonan-1-ol
type: Class
subclass of: fatty alcohol
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: nonane
has_related_synonym: 1-Hydroxynonane
has_related_synonym: 1-Nonanol
has_related_synonym: 144.25450
definition: A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of nine carbon atoms. It has been isolated as a component of volatile oils from plants like Hordeum vulgare.
database_cross_reference: AGR:IND44158795
database_cross_reference: Beilstein:969213
has_related_synonym: C9H20O
database_cross_reference: CAS:143-08-8
has_related_synonym: CCCCCCCCCO
has_alternative_id: CHEBI:32893
has_alternative_id: CHEBI:34109
id: CHEBI:35986
has_alternative_id: CHEBI:42305
database_cross_reference: DrugBank:DB03143
database_cross_reference: Gmelin:406178
database_cross_reference: HMDB:HMDB31265
has_related_synonym: InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
database_cross_reference: KEGG:C14696
database_cross_reference: KNApSAcK:C00030830
database_cross_reference: LIPID_MAPS_instance:LMFA05000092
has_exact_synonym: NONAN-1-OL
has_related_synonym: Nonylalkohol
database_cross_reference: PDBeChem:F09
database_cross_reference: PMID:23793896
database_cross_reference: PMID:5913174
has_related_synonym: Pelargonalkohol
database_cross_reference: Reaxys:969213
database_cross_reference: Wikipedia:1-Nonanol
has_related_synonym: ZWRUINPWMLAQRD-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: n-Nonyl alcohol
has_related_synonym: n-nonanol
has_related_synonym: nonalol
has_exact_synonym: nonan-1-ol
has_related_synonym: nonyl alcohol
has_related_synonym: octyl carbinol
has_related_synonym: pelargonic alcohol
imported from: chebi.owl

bridged compound
type: Class
subclass of: polycyclic compound
definition: A polycyclic compound in which two rings have two or more atoms in common.
id: CHEBI:35990
has_related_synonym: bridged compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tridecane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 184.36142
definition: A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus.
database_cross_reference: Beilstein:1733089
has_related_synonym: C13H28
database_cross_reference: CAS:629-50-5
has_related_synonym: CCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]11-CH3
has_alternative_id: CHEBI:32901
has_alternative_id: CHEBI:35025
id: CHEBI:35998
has_alternative_id: CHEBI:46104
database_cross_reference: Gmelin:1222217
database_cross_reference: HMDB:HMDB34284
has_related_synonym: IIYFAKIEWZDVMP-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
database_cross_reference: KEGG:C13834
database_cross_reference: LIPID_MAPS_instance:LMFA11000001
database_cross_reference: PDBeChem:TRD
database_cross_reference: PMID:23768323
database_cross_reference: PMID:24010324
database_cross_reference: Reaxys:1733089
has_exact_synonym: TRIDECANE
has_exact_synonym: Tridecane
has_related_synonym: Tridekan
database_cross_reference: Wikipedia:Tridecane
has_obo_namespace: chebi_ontology
has_related_synonym: n-tridecane
has_exact_synonym: tridecane
imported from: chebi.owl

omega-6 fatty acid
type: Class
subclass of: essential fatty acid
definition: A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid.
id: CHEBI:36009
database_cross_reference: PMID:19035453
database_cross_reference: PMID:19136835
has_obo_namespace: chebi_ontology
has_exact_synonym: omega-6 fatty acid
has_related_synonym: omega-6 fatty acids
imported from: chebi.owl

octadec-9-enoic acid
type: Class
subclass of: octadecenoic acid
subclass of: Restriction
  on property: has parent hydride
  some values from: octadec-9-ene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: octadec-9-enoate
has_related_synonym: 18:1, n-9
has_related_synonym: 282.46136
has_related_synonym: 9-octadecenoic acid
definition: An octadecenoic acid with a double bond at C-9.
database_cross_reference: Beilstein:1726541
has_related_synonym: C18:1, n-9
has_related_synonym: C18H34O2
database_cross_reference: CAS:2027-47-6
id: CHEBI:36021
has_related_synonym: Delta(9)-octadecenoic acid
has_related_synonym: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)
database_cross_reference: PMID:20110887
database_cross_reference: PMID:22908585
database_cross_reference: PMID:23578483
database_cross_reference: PMID:24478215
database_cross_reference: Reaxys:1726541
has_related_synonym: ZQPPMHVWECSIRJ-UHFFFAOYSA-N
has_related_synonym: [H]C(CCCCCCCC)=C([H])CCCCCCCC(O)=O
has_obo_namespace: chebi_ontology
has_exact_synonym: octadec-9-enoic acid
imported from: chebi.owl

antimicrobial drug
type: Class
subclass of: antimicrobial agent
subclass of: antiinfective agent
definition: A drug used to treat or prevent microbial infections.
id: CHEBI:36043
has_related_synonym: antimicrobial drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzoate ester
type: Class
subclass of: carboxylic ester
subclass of: aromatic ester
subclass of: Restriction
  on property: has functional parent
  some values from: benzoic acids
id: CHEBI:36054
definition: Esters of benzoic acid or substituted benzoic acids.
has_exact_synonym: benzoate ester
has_related_synonym: benzoate esters
has_related_synonym: benzoic acid esters
has_obo_namespace: chebi_ontology
imported from: chebi.owl

furoic acid
type: Class
subclass of: furans
subclass of: monocarboxylic acid
definition: A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof.
id: CHEBI:36055
has_obo_namespace: chebi_ontology
has_related_synonym: furoic acids
imported from: chebi.owl

furancarboxylate
type: Class
subclass of: monocarboxylic acid anion
id: CHEBI:36056
has_obo_namespace: chebi_ontology
has_related_synonym: furancarboxylates
imported from: chebi.owl

hydroxy monocarboxylic acid anion
type: Class
subclass of: monocarboxylic acid anion
definition: Any monocarboxylic acid anion carrying at least one hydroxy substituent.
id: CHEBI:36059
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy monocarboxylic acid anions
has_related_synonym: hydroxymonocarboxylic acid anion
has_related_synonym: hydroxymonocarboxylic acid anions
imported from: chebi.owl

3,4-dihydroxybenzoic acid
type: Class
subclass of: dihydroxybenzoic acid
subclass of: catechols
subclass of: Restriction
  on property: has functional parent
  some values from: benzoic acid
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3,4-dihydroxybenzoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 1.1.1.25 (shikimate dehydrogenase) inhibitor
has_related_synonym: 154.120
has_exact_synonym: 3,4-Dihydroxybenzoic acid
has_exact_synonym: 3,4-dihydroxybenzoic acid
has_related_synonym: 4,5-Dihydroxybenzoic acid
has_related_synonym: 4-Carboxy-1,2-dihydroxybenzene
definition: A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.
has_related_synonym: C(=O)(C1=CC(=C(C=C1)O)O)O
has_related_synonym: C7H6O4
database_cross_reference: CAS:99-50-3
has_alternative_id: CHEBI:1380
has_alternative_id: CHEBI:16798
has_alternative_id: CHEBI:19879
has_alternative_id: CHEBI:20270
has_alternative_id: CHEBI:20272
id: CHEBI:36062
has_alternative_id: CHEBI:41912
database_cross_reference: HMDB:HMDB01856
has_related_synonym: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
database_cross_reference: KEGG:C00230
database_cross_reference: KNApSAcK:C00002668
database_cross_reference: MetaCyc:3-4-DIHYDROXYBENZOATE
database_cross_reference: PDBeChem:DHB
database_cross_reference: PMID:17709440
database_cross_reference: PMID:19160570
database_cross_reference: PMID:20840540
database_cross_reference: PMID:20973550
database_cross_reference: PMID:21569764
database_cross_reference: PMID:21619045
database_cross_reference: PMID:22770225
has_related_synonym: Protocatechuic acid
has_related_synonym: Protocatehuic acid
database_cross_reference: Reaxys:1448841
database_cross_reference: Wikipedia:Protocatechuic_acid
has_related_synonym: YQUVCSBJEUQKSH-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

dihydroxybenzoate
type: Class
subclass of: hydroxybenzoate
subclass of: Restriction
  on property: is conjugate base of
  some values from: dihydroxybenzoic acid
definition: A hydroxybenzoate that is the conjugate base of dihydroxybenzoic acid.
id: CHEBI:36084
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydroxybenzoate
has_related_synonym: dihydroxybenzoates
imported from: chebi.owl

trihydroxybenzoate
type: Class
subclass of: hydroxybenzoate
id: CHEBI:36085
has_obo_namespace: chebi_ontology
has_related_synonym: trihydroxybenzoates
imported from: chebi.owl

cinnamate ester
type: Class
subclass of: phenylpropanoid
subclass of: enoate ester
subclass of: Restriction
  on property: has functional parent
  some values from: cinnamic acids
id: CHEBI:36087
has_obo_namespace: chebi_ontology
has_exact_synonym: cinnamate ester
has_related_synonym: cinnamate esters
imported from: chebi.owl

cinnamates
type: Class
subclass of: monocarboxylic acid anion
id: CHEBI:36091
has_obo_namespace: chebi_ontology
imported from: chebi.owl

piperidinecarboxylate
type: Class
subclass of: monocarboxylic acid anion
id: CHEBI:36109
has_obo_namespace: chebi_ontology
has_related_synonym: piperidinecarboxylates
imported from: chebi.owl

pipecolate
type: Class
subclass of: piperidinecarboxylate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: pipecolic acid
has_related_synonym: 128.14960
definition: A piperidinecarboxylate that is the conjugate base of pipecolic acid.
has_related_synonym: C6H10NO2
has_alternative_id: CHEBI:26141
has_alternative_id: CHEBI:30914
id: CHEBI:36110
has_related_synonym: HXEACLLIILLPRG-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/p-1
has_related_synonym: [O-]C(=O)C1CCCCN1
has_obo_namespace: chebi_ontology
has_exact_synonym: piperidine-2-carboxylate
imported from: chebi.owl

cyclitol carboxylic acid
type: Class
subclass of: carbocyclic compound
subclass of: hydroxy monocarboxylic acid
id: CHEBI:36123
has_obo_namespace: chebi_ontology
has_related_synonym: cyclitol carboxylic acids
imported from: chebi.owl

(+)-quinic acid
type: Class
subclass of: quinic acid
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-quinic acid
has_exact_synonym: (1R,3S,4R,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
has_related_synonym: 192.16658
has_exact_synonym: 1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid
has_related_synonym: AAWZDTNXLSGCEK-DRMQKGJZSA-N
database_cross_reference: Beilstein:2212410
has_related_synonym: C7H12O6
id: CHEBI:36124
has_related_synonym: InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m0/s1
database_cross_reference: Reaxys:2212410
definition: The (+)-enantiomer of quinic acid.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclitol carboxylic acid anion
type: Class
subclass of: monocarboxylic acid anion
id: CHEBI:36125
has_obo_namespace: chebi_ontology
has_related_synonym: cyclitol carboxylic acid anions
imported from: chebi.owl

cyclohexenecarboxylate
type: Class
subclass of: monocarboxylic acid anion
id: CHEBI:36126
has_obo_namespace: chebi_ontology
has_related_synonym: cyclohexenecarboxylates
imported from: chebi.owl

cyclic terpene ketone
type: Class
subclass of: terpene ketone
subclass of: alicyclic ketone
definition: An alicyclic ketone in which the carbocyclic ring structure forms part of a terpene skeleton.
id: CHEBI:36130
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic terpene ketone
imported from: chebi.owl

alicyclic ketone
type: Class
subclass of: cyclic ketone
subclass of: Restriction
  on property: has parent hydride
  some values from: alicyclic compound
definition: A cyclic ketone in which the carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system.
id: CHEBI:36132
has_exact_synonym: alicyclic ketone
has_exact_synonym: alicyclic ketones
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quinone
type: Class
subclass of: cyclic ketone
has_alternative_id: CHEBI:13684
has_alternative_id: CHEBI:26517
id: CHEBI:36141
has_related_synonym: Chinon
definition: Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
database_cross_reference: Wikipedia:Quinone
has_related_synonym: a quinone
has_obo_namespace: chebi_ontology
has_exact_synonym: quinone
has_exact_synonym: quinones
has_related_synonym: quinones
imported from: chebi.owl

oxo dicarboxylic acid
type: Class
subclass of: oxo carboxylic acid
subclass of: dicarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: oxo dicarboxylic acid dianion
definition: Any dicarboxylic acid carrying one or more oxo groups.
id: CHEBI:36145
has_obo_namespace: chebi_ontology
has_related_synonym: oxo dicarboxylic acids
imported from: chebi.owl

oxo dicarboxylate
type: Class
subclass of: dicarboxylic acid dianion
id: CHEBI:36147
has_obo_namespace: chebi_ontology
has_related_synonym: oxo dicarboxylates
has_related_synonym: oxo-dicarboxylic acid dianion
has_related_synonym: oxo-dicarboxylic acid dianions
imported from: chebi.owl

butenedioate
type: Class
subclass of: C4-dicarboxylate
subclass of: Restriction
  on property: is conjugate base of
  some values from: hydrogen butenedioate
has_related_synonym: 114.05628
definition: A C4-dicarboxylate that has formula C4H2O4.
has_related_synonym: C4H2O4
has_alternative_id: CHEBI:22956
has_alternative_id: CHEBI:22957
id: CHEBI:36180
database_cross_reference: Gmelin:874013
has_related_synonym: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2
has_related_synonym: VZCYOOQTPOCHFL-UHFFFAOYSA-L
has_related_synonym: [H]C(=C([H])C([O-])=O)C([O-])=O
has_exact_synonym: but-2-enedioate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

shikimate
type: Class
subclass of: hydroxy monocarboxylic acid anion
subclass of: cyclohexenecarboxylate
subclass of: Restriction
  on property: is conjugate base of
  some values from: shikimic acid
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
has_related_synonym: 173.14336
definition: A cyclohexenecarboxylate that is the conjugate base of shikimic acid.
has_related_synonym: C7H9O5
has_alternative_id: CHEBI:15083
has_alternative_id: CHEBI:26663
id: CHEBI:36208
has_related_synonym: InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/p-1/t4-,5-,6-/m1/s1
has_related_synonym: JXOHGGNKMLTUBP-HSUXUTPPSA-M
has_related_synonym: O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: shikimate
imported from: chebi.owl

disaccharide
type: Class
subclass of: oligosaccharide
definition: A compound in which two monosaccharides are joined by a glycosidic bond.
has_alternative_id: CHEBI:23844
id: CHEBI:36233
has_alternative_id: CHEBI:4654
has_related_synonym: Disaccharid
has_exact_synonym: Disaccharide
has_related_synonym: Disacharid
database_cross_reference: KEGG:C01911
has_obo_namespace: chebi_ontology
has_related_synonym: disacarido
has_related_synonym: disacaridos
has_exact_synonym: disaccharides
imported from: chebi.owl

3,4-dihydroxybenzoate
type: Class
subclass of: dihydroxybenzoate
subclass of: Restriction
  on property: has functional parent
  some values from: benzoate
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3,4-dihydroxybenzoic acid
has_related_synonym: 153.112
has_exact_synonym: 3,4-Dihydroxybenzoate
has_exact_synonym: 3,4-dihydroxybenzoate
has_related_synonym: 4,5-dihydroxybenzoate
definition: A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.
has_related_synonym: C(=O)(C1=CC(=C(C=C1)O)O)[O-]
has_related_synonym: C7H5O4
has_alternative_id: CHEBI:11694
has_alternative_id: CHEBI:14955
has_alternative_id: CHEBI:19878
id: CHEBI:36241
database_cross_reference: DrugBank:DB03946
has_related_synonym: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
database_cross_reference: KEGG:C00230
database_cross_reference: MetaCyc:3-4-DIHYDROXYBENZOATE
database_cross_reference: Reaxys:4921766
database_cross_reference: UM-BBD_compID:c0120
has_related_synonym: YQUVCSBJEUQKSH-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
imported from: chebi.owl

caffeic acid
type: Class
subclass of: hydroxycinnamic acid
subclass of: catechols
subclass of: Restriction
  on property: has role
  some values from: EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 3.5.1.98 (histone deacetylase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 2.5.1.18 (glutathione transferase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_related_synonym: 180.15740
has_exact_synonym: 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
definition: A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common.
database_cross_reference: Beilstein:2210883
has_related_synonym: C9H8O4
id: CHEBI:36281
database_cross_reference: HMDB:HMDB01964
has_related_synonym: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
database_cross_reference: KEGG:C01481
database_cross_reference: LINCS:LSM-5272
has_related_synonym: OC(=O)C=Cc1ccc(O)c(O)c1
database_cross_reference: PMID:11373473
database_cross_reference: PMID:15778121
database_cross_reference: PMID:18061431
database_cross_reference: PMID:18314336
database_cross_reference: PMID:18482095
database_cross_reference: PMID:20542693
database_cross_reference: PMID:8340025
has_related_synonym: QAIPRVGONGVQAS-UHFFFAOYSA-N
database_cross_reference: Reaxys:2210883
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tricarboxylic acid monoanion
type: Class
subclass of: tricarboxylic acid anion
id: CHEBI:36299
has_obo_namespace: chebi_ontology
has_related_synonym: tricarboxylic acid monoanions
imported from: chebi.owl

tricarboxylic acid dianion
type: Class
subclass of: tricarboxylic acid anion
id: CHEBI:36300
has_obo_namespace: chebi_ontology
has_related_synonym: tricarboxylic acid dianions
imported from: chebi.owl

cyclic tetrapyrrole
type: Class
subclass of: tetrapyrrole
subclass of: cyclic polypyrrole
id: CHEBI:36309
has_obo_namespace: chebi_ontology
has_related_synonym: cyclic tetrapyrroles
has_related_synonym: macrocyclic tetrapyrrole
has_exact_synonym: macrocyclic tetrapyrroles
imported from: chebi.owl

trypanocidal drug
type: Class
subclass of: antiprotozoal drug
definition: A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
id: CHEBI:36335
has_related_synonym: antitrypanosomal agent
has_related_synonym: antitrypanosomal agents
has_related_synonym: antitrypanosomal drug
has_related_synonym: antitrypanosomal drugs
has_obo_namespace: chebi_ontology
has_related_synonym: trypanocidal drugs
has_related_synonym: trypanocide
has_related_synonym: trypanosomicidal agents
imported from: chebi.owl

strychnidine
type: Class
subclass of: quinoline alkaloid
subclass of: indole alkaloid fundamental parent
subclass of: quinoline alkaloid fundamental parent
subclass of: organic heteroheptacyclic compound
subclass of: monoterpenoid indole alkaloid
has_related_synonym: 320.42814
definition: A quinoline alkaloid fundamental parent that has formula C21H24N2O.
has_related_synonym: AGRTUYYPROFOFX-ZMUQRAOQSA-N
database_cross_reference: Beilstein:44534
has_related_synonym: C21H24N2O
id: CHEBI:36337
has_related_synonym: InChI=1S/C21H24N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,6,14,17-20H,5,7-12H2/t14-,17-,18-,19-,20-,21+/m0/s1
has_obo_namespace: chebi_ontology
has_exact_synonym: strychnidine
imported from: chebi.owl

lepton
type: Class
subclass of: fundamental particle
subclass of: fermion
id: CHEBI:36338
definition: Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin).
has_obo_namespace: chebi_ontology
has_related_synonym: leptons
imported from: chebi.owl

baryon
type: Class
subclass of: fermion
subclass of: hadron
definition: Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy).
id: CHEBI:36339
has_related_synonym: baryons
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fermion
type: Class
subclass of: subatomic particle
id: CHEBI:36340
definition: Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi.
has_obo_namespace: chebi_ontology
has_exact_synonym: fermion
has_related_synonym: fermions
imported from: chebi.owl

subatomic particle
type: Class
subclass of: material entity
definition: A particle smaller than an atom.
id: CHEBI:36342
has_obo_namespace: chebi_ontology
has_related_synonym: subatomic particles
imported from: chebi.owl

composite particle
type: Class
subclass of: subatomic particle
definition: A subatomic particle known to have substructure (i.e. consisting of smaller particles).
id: CHEBI:36343
has_obo_namespace: chebi_ontology
has_related_synonym: composite particles
imported from: chebi.owl

hadron
type: Class
subclass of: composite particle
id: CHEBI:36344
definition: Hadron is a subatomic particle which experiences the strong force.
has_obo_namespace: chebi_ontology
has_related_synonym: hadrons
imported from: chebi.owl

nuclear particle
type: Class
subclass of: subatomic particle
definition: A nucleus or any of its constituents in any of their energy states.
id: CHEBI:36347
has_obo_namespace: chebi_ontology
has_exact_synonym: nuclear particle
imported from: chebi.owl

polyatomic entity
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: has part
  some values from: group
definition: Any molecular entity consisting of more than one atom.
id: CHEBI:36357
has_obo_namespace: chebi_ontology
has_related_synonym: polyatomic entities
imported from: chebi.owl

polyatomic ion
type: Class
subclass of: ion
subclass of: polyatomic entity
definition: An ion consisting of more than one atom.
id: CHEBI:36358
has_obo_namespace: chebi_ontology
has_related_synonym: polyatomic ions
imported from: chebi.owl

phosphorus oxoacid derivative
type: Class
subclass of: oxoacid derivative
subclass of: phosphorus oxoacids and derivatives
subclass of: Restriction
  on property: has functional parent
  some values from: phosphorus oxoacid
id: CHEBI:36359
has_obo_namespace: chebi_ontology
has_exact_synonym: phosphorus oxoacid derivative
imported from: chebi.owl

phosphorus oxoacids and derivatives
type: Class
subclass of: phosphorus molecular entity
id: CHEBI:36360
has_obo_namespace: chebi_ontology
has_exact_synonym: phosphorus oxoacids and derivatives
imported from: chebi.owl

saturated organic heterocyclic parent
type: Class
subclass of: heterocyclic organic fundamental parent
id: CHEBI:36388
has_obo_namespace: chebi_ontology
has_related_synonym: saturated heterocyclic parent hydride
has_related_synonym: saturated heterocyclic parent hydrides
has_related_synonym: saturated organic heterocyclic parents
imported from: chebi.owl

saturated organic heteromonocyclic parent
type: Class
subclass of: organic heteromonocyclic compound
subclass of: saturated organic heterocyclic parent
id: CHEBI:36389
has_obo_namespace: chebi_ontology
has_related_synonym: saturated heteromonocyclic parent hydride
has_related_synonym: saturated heteromonocyclic parent hydrides
has_related_synonym: saturated organic heteromonocyclic parents
imported from: chebi.owl

monocyclic olefin
type: Class
subclass of: cyclic olefin
definition: A monocyclic hydrocarbon having any number of double bonds.
id: CHEBI:36403
has_obo_namespace: chebi_ontology
has_related_synonym: monocyclic olefins
imported from: chebi.owl

bisabolane
type: Class
subclass of: sesquiterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 1-(1,5-dimethylhexyl)-4-methylcyclohexane
has_related_synonym: 210.39870
definition: A terpenoid fundamental parent that has formula C15H30.
database_cross_reference: Beilstein:2037504
has_related_synonym: C15H30
has_related_synonym: CC(C)CCCC(C)C1CCC(C)CC1
id: CHEBI:36480
has_related_synonym: InChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3
database_cross_reference: LIPID_MAPS_instance:LMPR0103060000
has_related_synonym: NOWQRWPUNHMSAF-UHFFFAOYSA-N
has_exact_synonym: bisabolane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oleanane
type: Class
subclass of: triterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 412.73388
definition: A triterpene that has formula C30H52.
database_cross_reference: Beilstein:3140799
has_related_synonym: C30H52
id: CHEBI:36481
has_related_synonym: InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1
has_related_synonym: VCNKUCWWHVTTBY-KQCVGMHHSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: oleanane
imported from: chebi.owl

lupane
type: Class
subclass of: triterpene
subclass of: terpenoid fundamental parent
has_related_synonym: 412.73388
definition: A triterpene that has formula C30H52.
database_cross_reference: Beilstein:2562721
has_related_synonym: C30H52
database_cross_reference: CAS:464-99-3
id: CHEBI:36485
has_related_synonym: InChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
has_related_synonym: NKMDIWKRKQFYPH-VIUFNMEASA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: lupane
imported from: chebi.owl

cadinane
type: Class
subclass of: sesquiterpene
subclass of: terpenoid fundamental parent
has_related_synonym: (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene
has_related_synonym: (1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene
has_related_synonym: 208.38282
definition: A sesquiterpene consisting of decalin having two methyl substituents at the 1- and 6-positions, an isopropyl substituent at the 4-position and (1S,4S,4aS,6S,8aS)-configuration.
database_cross_reference: Beilstein:1433
has_related_synonym: C15H28
id: CHEBI:36513
has_related_synonym: FZZNNPQZDRVKLU-YTFOTSKYSA-N
has_related_synonym: InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1
has_exact_synonym: cadinane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

eudesmane
type: Class
subclass of: sesquiterpene
subclass of: terpenoid fundamental parent
has_related_synonym: (1R,4aR,7R,8aS)-1,4a-dimethyl-7-(propan-2-yl)decahydronaphthalene
has_related_synonym: (1R,4aR,7R,8aS)-7-isopropyl-1,4a-dimethyldecahydronaphthalene
has_related_synonym: 208.38280
definition: A terpenoid fundamental parent that has formula C15H28.
database_cross_reference: Beilstein:2498027
has_related_synonym: C15H28
database_cross_reference: CAS:473-11-0
id: CHEBI:36522
has_related_synonym: DYEQPYSFRWUNNV-APIJFGDWSA-N
has_related_synonym: InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3/t12-,13-,14+,15-/m1/s1
has_obo_namespace: chebi_ontology
has_exact_synonym: eudesmane
imported from: chebi.owl

humulane
type: Class
subclass of: sesquiterpene
subclass of: terpenoid fundamental parent
has_exact_synonym: 1,1,4,8-tetramethylcycloundecane
has_related_synonym: 210.39870
definition: A terpenoid fundamental parent that has formula C15H30.
database_cross_reference: Beilstein:1902327
has_related_synonym: C15H30
has_related_synonym: CC1CCCC(C)CCC(C)(C)CCC1
id: CHEBI:36523
has_related_synonym: InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3
has_related_synonym: UTJJFHJHTZKQSW-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: humulane
imported from: chebi.owl

kaurane
type: Class
subclass of: diterpene
subclass of: terpenoid fundamental parent
subclass of: Restriction
  on property: is enantiomer of
  some values from: ent-kaurane
has_related_synonym: 274.48396
definition: A diterpene that has formula C20H34.
database_cross_reference: Beilstein:6791834
has_related_synonym: C20H34
id: CHEBI:36539
has_related_synonym: IVZWRQBQDVHDNG-XWIHJEQYSA-N
has_related_synonym: InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m1/s1
has_obo_namespace: chebi_ontology
has_exact_synonym: kaurane
imported from: chebi.owl

ent-kaurane
type: Class
subclass of: diterpene
subclass of: Restriction
  on property: is enantiomer of
  some values from: kaurane
has_related_synonym: 274.48396
definition: A diterpene that has formula C20H34.
database_cross_reference: Beilstein:2043842
has_related_synonym: C20H34
id: CHEBI:36540
has_related_synonym: IVZWRQBQDVHDNG-KUIXFMFUSA-N
has_related_synonym: InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m0/s1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

main-group coordination entity
type: Class
subclass of: coordination entity
subclass of: main group molecular entity
definition: A coordination entity in which the central atom to which the ligands are attached comes from groups 1, 2, 13, 14, 15, 16, 17, or 18 of the periodic table.
id: CHEBI:36562
has_obo_namespace: chebi_ontology
has_related_synonym: main group coordination compounds
has_related_synonym: main-group coordination entities
imported from: chebi.owl

carbonyl compound
type: Class
subclass of: organic oxo compound
subclass of: organooxygen compound
subclass of: Restriction
  on property: has part
  some values from: carbonyl group
definition: Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.
id: CHEBI:36586
has_exact_synonym: carbonyl compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic oxo compound
type: Class
subclass of: organic molecule
subclass of: Restriction
  on property: has part
  some values from: oxo group
id: CHEBI:36587
definition: Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element.
has_obo_namespace: chebi_ontology
has_related_synonym: organic oxo compounds
has_exact_synonym: oxo compounds
imported from: chebi.owl

fenchane
type: Class
subclass of: monoterpene
subclass of: terpenoid fundamental parent
subclass of: carbobicyclic compound
has_related_synonym: 1,3,3-trimethylbicyclo[2.2.1]heptane
has_related_synonym: 138.24992
definition: A monoterpene that is bicyclo[2.2.1]heptane substituted by methy groups at positions 1, 3 and 3.
has_related_synonym: C10H18
database_cross_reference: CAS:6248-88-0
has_related_synonym: CC1(C)CC2(C)CCC1C2
id: CHEBI:36611
has_related_synonym: HINAOCRDJFBYGD-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C10H18/c1-9(2)7-10(3)5-4-8(9)6-10/h8H,4-7H2,1-3H3
database_cross_reference: LIPID_MAPS_instance:LMPR0102120027
database_cross_reference: PMID:20734952
has_obo_namespace: chebi_ontology
has_exact_synonym: fenchane
imported from: chebi.owl

triterpenoid
type: Class
subclass of: terpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: triterpene
definition: Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
has_alternative_id: CHEBI:27151
id: CHEBI:36615
has_alternative_id: CHEBI:9748
database_cross_reference: KEGG:C06085
has_exact_synonym: Triterpenoid
has_obo_namespace: chebi_ontology
has_related_synonym: triterpenoides
has_related_synonym: triterpenoids
imported from: chebi.owl

heterotricyclic compound
type: Class
subclass of: heteropolycyclic compound
id: CHEBI:36688
has_obo_namespace: chebi_ontology
has_exact_synonym: heterotricyclic compound
has_related_synonym: heterotricyclic compounds
has_exact_synonym: heterotricyclic compounds
imported from: chebi.owl

fenchane monoterpenoid
type: Class
subclass of: monoterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: fenchane
id: CHEBI:36739
has_obo_namespace: chebi_ontology
has_related_synonym: fenchane monoterpenoids
imported from: chebi.owl

alpha-pinene
type: Class
subclass of: pinene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (+-)-2-pinene
has_related_synonym: (+-)-alpha-pinene
has_related_synonym: 136.23404
has_exact_synonym: 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
has_related_synonym: 2-pinene
definition: A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively.
database_cross_reference: Beilstein:3194807
has_related_synonym: C10H16
database_cross_reference: CAS:2437-95-8
database_cross_reference: CAS:80-56-8
has_related_synonym: CC1=CCC2CC1C2(C)C
has_alternative_id: CHEBI:10326
has_alternative_id: CHEBI:22467
id: CHEBI:36740
has_related_synonym: GRWFGVWFFZKLTI-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
database_cross_reference: KEGG:C09880
database_cross_reference: KNApSAcK:C00000805
database_cross_reference: LIPID_MAPS_instance:LMPR0102120017
database_cross_reference: MetaCyc:Alpha-pinene
database_cross_reference: PMID:11868675
database_cross_reference: PMID:23513743
database_cross_reference: Reaxys:3194807
database_cross_reference: UM-BBD_compID:c0634
database_cross_reference: Wikipedia:Alpha-Pinene
has_related_synonym: acintene A
has_exact_synonym: alpha-Pinene
has_obo_namespace: chebi_ontology
has_related_synonym: pin-2(3)-ene
has_exact_synonym: pin-2-ene
imported from: chebi.owl

farnesane
type: Class
subclass of: alkane
subclass of: sesquiterpene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 2,6,10-trimethyldodecane
has_related_synonym: 212.41458
definition: A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10.
database_cross_reference: Beilstein:1719672
has_related_synonym: C15H32
database_cross_reference: CAS:3891-98-3
has_related_synonym: CCC(C)CCCC(C)CCCC(C)C
id: CHEBI:36756
has_related_synonym: Farnesan
has_related_synonym: InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
database_cross_reference: LIPID_MAPS_instance:LMPR0103010000
database_cross_reference: MetaCyc:CPD-8764
database_cross_reference: Patent:US2008098645
database_cross_reference: Patent:US7399323
database_cross_reference: Reaxys:1719672
has_related_synonym: YFHFHLSMISYUAQ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: farnesane
imported from: chebi.owl

farnesane sesquiterpenoid
type: Class
subclass of: sesquiterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: farnesane
id: CHEBI:36757
has_obo_namespace: chebi_ontology
has_exact_synonym: farnesane sesquiterpenoid
has_related_synonym: farnesane sesquiterpenoids
imported from: chebi.owl

abietane diterpenoid
type: Class
subclass of: diterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: abietane
definition: A diterpenoid based on an abietane skeleton.
id: CHEBI:36762
has_related_synonym: abietane diterpenoids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

camphor
type: Class
subclass of: bornane monoterpenoid
subclass of: cyclic monoterpene ketone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
has_related_synonym: 152.23340
has_related_synonym: 2-bornanone
has_related_synonym: 2-camphanone
has_related_synonym: 2-keto-1,7,7-trimethylnorcamphane
definition: A cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid.
database_cross_reference: Beilstein:1907611
database_cross_reference: Beilstein:3196099
database_cross_reference: Beilstein:6475830
has_related_synonym: C10H16O
database_cross_reference: CAS:464-48-2
database_cross_reference: CAS:76-22-2
has_related_synonym: CC1(C)C2CCC1(C)C(=O)C2
id: CHEBI:36773
has_exact_synonym: Camphor
has_related_synonym: DSSYKIVIOFKYAU-UHFFFAOYSA-N
database_cross_reference: DrugBank:DB01744
has_related_synonym: Formosa camphor
database_cross_reference: Gmelin:83275
has_related_synonym: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
has_related_synonym: Japan camphor
database_cross_reference: KEGG:C00809
database_cross_reference: KEGG:C18369
database_cross_reference: KEGG:D00098
database_cross_reference: KNApSAcK:C00000135
has_related_synonym: Kampfer
database_cross_reference: LIPID_MAPS_instance:LMPR0102120001
database_cross_reference: MetaCyc:Camphor
database_cross_reference: PMID:17488023
database_cross_reference: PMID:19384733
database_cross_reference: PMID:20950270
database_cross_reference: PMID:21562741
database_cross_reference: PMID:21620923
database_cross_reference: PMID:21777420
database_cross_reference: PMID:21906366
database_cross_reference: Reaxys:3196099
database_cross_reference: Wikipedia:Camphor
has_exact_synonym: bornan-2-one
has_exact_synonym: camphor
has_obo_namespace: chebi_ontology
has_related_synonym: gum camphor
has_related_synonym: laurel camphor
has_related_synonym: root bark oil
has_related_synonym: spirit of camphor
imported from: chebi.owl

carbobicyclic compound
type: Class
subclass of: bicyclic compound
subclass of: carbopolycyclic compound
definition: A bicyclic compound in which all the ring atoms are carbon.
id: CHEBI:36785
has_related_synonym: carbobicyclic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetralins
type: Class
subclass of: carbobicyclic compound
has_related_synonym: 1,2,3,4-tetrahydronaphthalenes
id: CHEBI:36786
definition: Compounds containing a tetralin skeleton.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-hydroxy steroid
type: Class
subclass of: hydroxy steroid
has_related_synonym: 3-hydroxy steroids
definition: Any hydroxy steroid carrying a hydroxy group at position 3.
id: CHEBI:36834
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3beta-hydroxy steroid
type: Class
subclass of: secondary alcohol
subclass of: 3-hydroxy steroid
has_related_synonym: 3beta-hydroxy steroids
definition: A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position.
id: CHEBI:36836
has_alternative_id: CHEBI:71195
database_cross_reference: PMID:10535978
database_cross_reference: PMID:12829805
has_related_synonym: a 3beta-hydroxysteroid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

6-hydroxy steroid
type: Class
subclass of: hydroxy steroid
has_related_synonym: 6-hydroxy steroids
id: CHEBI:36849
has_obo_namespace: chebi_ontology
imported from: chebi.owl

6alpha-hydroxy steroid
type: Class
subclass of: 6-hydroxy steroid
has_related_synonym: 6alpha-hydroxy steroids
id: CHEBI:36850
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hydroxy seco-steroid
type: Class
subclass of: hydroxy steroid
subclass of: seco-steroid
id: CHEBI:36853
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy seco-steroids
imported from: chebi.owl

elemental fluorine
type: Class
subclass of: elemental halogen
id: CHEBI:36892
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monoatomic fluorine
type: Class
subclass of: elemental fluorine
id: CHEBI:36895
has_related_synonym: F
has_related_synonym: atomic fluorine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental selenium
type: Class
subclass of: selenium molecular entity
database_cross_reference: CAS:7782-49-2
id: CHEBI:36904
has_obo_namespace: chebi_ontology
has_exact_synonym: elemental selenium
imported from: chebi.owl

inorganic ion
type: Class
subclass of: inorganic molecular entity
subclass of: ion
id: CHEBI:36914
has_obo_namespace: chebi_ontology
has_related_synonym: inorganic ions
imported from: chebi.owl

inorganic cation
type: Class
subclass of: inorganic ion
subclass of: cation
id: CHEBI:36915
has_obo_namespace: chebi_ontology
has_related_synonym: inorganic cations
imported from: chebi.owl

cation
type: Class
subclass of: ion
definition: A monoatomic or polyatomic species having one or more elementary charges of the proton.
has_alternative_id: CHEBI:23058
has_alternative_id: CHEBI:3473
id: CHEBI:36916
has_exact_synonym: Cation
database_cross_reference: KEGG:C01373
has_related_synonym: Kation
has_related_synonym: Kationen
has_exact_synonym: cation
has_related_synonym: cationes
has_related_synonym: cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

chalcocarbonic acid
type: Class
subclass of: organochalcogen compound
id: CHEBI:36961
has_exact_synonym: chalcocarbonic acid
has_exact_synonym: chalcocarbonic acids
has_related_synonym: chalcocarbonic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organochalcogen compound
type: Class
subclass of: heteroorganic entity
subclass of: chalcogen molecular entity
definition: An organochalcogen compound is a compound containing at least one carbon-chalcogen bond.
id: CHEBI:36962
has_obo_namespace: chebi_ontology
has_exact_synonym: organochalcogen compound
has_related_synonym: organochalcogen compounds
imported from: chebi.owl

organooxygen compound
type: Class
subclass of: oxygen molecular entity
subclass of: organochalcogen compound
definition: An organochalcogen compound containing at least one carbon-oxygen bond.
id: CHEBI:36963
database_cross_reference: PMID:17586126
has_obo_namespace: chebi_ontology
has_exact_synonym: organooxygen compound
has_related_synonym: organooxygen compounds
imported from: chebi.owl

nucleotide
type: Class
subclass of: nucleoside phosphate
definition: A nucleotide is a nucleoside phosphate. It is a phosphate ester that has a nucleoside moiety and has at least one phosphate moiety attached to the C-5 carbon of the ribose or deoxyribose moiety.
has_alternative_id: CHEBI:13215
has_alternative_id: CHEBI:13663
id: CHEBI:36976
has_alternative_id: CHEBI:7656
database_cross_reference: KEGG:C00215
has_exact_synonym: Nucleotide
has_related_synonym: a nucleotide
has_obo_namespace: chebi_ontology
has_related_synonym: nucleotides
imported from: chebi.owl

ribonucleoside 5'-monophosphate
type: Class
subclass of: ribonucleoside monophosphate
subclass of: ribonucleoside 5'-phosphate
has_alternative_id: CHEBI:1976
has_alternative_id: CHEBI:1977
has_alternative_id: CHEBI:20500
has_alternative_id: CHEBI:36996
id: CHEBI:37010
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleoside 5'-monophosphates
imported from: chebi.owl

ribonucleoside 5'-phosphate
type: Class
subclass of: nucleoside 5'-phosphate
subclass of: ribonucleotide
id: CHEBI:37015
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleoside 5'-phosphates
imported from: chebi.owl

purine ribonucleoside 5'-monophosphate
type: Class
subclass of: purine ribonucleoside monophosphate
subclass of: purine ribonucleotide
subclass of: ribonucleoside 5'-monophosphate
id: CHEBI:37021
has_obo_namespace: chebi_ontology
has_related_synonym: purine ribonucleoside 5'-monophosphates
imported from: chebi.owl

amino-acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: organonitrogen compound
subclass of: Restriction
  on property: is conjugate base of
  some values from: amino acid
id: CHEBI:37022
has_related_synonym: amino acid anions
has_exact_synonym: amino-acid anion
has_related_synonym: amino-acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

purine ribonucleoside 5'-diphosphate
type: Class
subclass of: purine ribonucleoside diphosphate
subclass of: purine ribonucleotide
subclass of: ribonucleoside 5'-diphosphate
id: CHEBI:37038
has_obo_namespace: chebi_ontology
has_related_synonym: purine ribonucleoside 5'-diphosphates
imported from: chebi.owl

3-hydroxybutyrate
type: Class
subclass of: 3-hydroxy fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-hydroxybutyric acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: butyrate
has_related_synonym: 103.09658
has_related_synonym: 3-OH butyrate
has_related_synonym: 3-OH-butyrate
has_exact_synonym: 3-hydroxybutanoate
definition: A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
database_cross_reference: Beilstein:4127635
has_related_synonym: C4H7O3
has_related_synonym: CC(O)CC([O-])=O
id: CHEBI:37054
has_related_synonym: DL-3-hydroxybutyrate
has_related_synonym: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1
database_cross_reference: Reaxys:4127635
has_related_synonym: WHBMMWSBFZVSSR-UHFFFAOYSA-M
has_related_synonym: beta-hydroxy-n-butyrate
has_related_synonym: beta-hydroxybutanoate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ribonucleoside 5'-diphosphate
type: Class
subclass of: ribonucleoside 5'-phosphate
id: CHEBI:37075
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleoside 5'-diphosphates
imported from: chebi.owl

adenosine 5'-phosphate
type: Class
subclass of: adenosine phosphate
subclass of: purine ribonucleoside 5'-monophosphate
id: CHEBI:37096
has_related_synonym: adenosine 5'-phosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleoside bisphosphate
type: Class
subclass of: nucleoside phosphate
id: CHEBI:37123
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside bisphosphates
imported from: chebi.owl

strontium molecular entity
type: Class
subclass of: alkaline earth molecular entity
subclass of: Restriction
  on property: has part
  some values from: strontium atom
id: CHEBI:37131
has_obo_namespace: chebi_ontology
has_related_synonym: strontium compounds
has_related_synonym: strontium molecular entities
has_exact_synonym: strontium molecular entity
imported from: chebi.owl

barium molecular entity
type: Class
subclass of: alkaline earth molecular entity
subclass of: Restriction
  on property: has part
  some values from: barium atom
id: CHEBI:37133
has_related_synonym: barium compounds
has_related_synonym: barium molecular entities
has_exact_synonym: barium molecular entity
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental barium
type: Class
subclass of: barium molecular entity
id: CHEBI:37134
has_obo_namespace: chebi_ontology
imported from: chebi.owl

barium(2+)
type: Class
subclass of: monoatomic dication
subclass of: barium cation
subclass of: divalent metal cation
has_related_synonym: 137.32700
definition: A barium cation that has formula 137.32700.
has_related_synonym: BARIUM ION
has_related_synonym: Ba
has_related_synonym: Ba(2+)
has_related_synonym: Ba2+
has_related_synonym: Barium
database_cross_reference: CAS:22541-12-4
has_alternative_id: CHEBI:32593
has_alternative_id: CHEBI:34552
id: CHEBI:37136
has_alternative_id: CHEBI:49494
database_cross_reference: Gmelin:6848
has_related_synonym: InChI=1S/Ba/q+2
database_cross_reference: KEGG:C13881
database_cross_reference: PDBeChem:BA
has_related_synonym: XDFCIPNJCBUZJN-UHFFFAOYSA-N
has_related_synonym: [Ba++]
has_exact_synonym: barium(2+)
has_exact_synonym: barium(2+) ion
has_exact_synonym: barium(II) cation
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fumarate(1-)
type: Class
subclass of: hydrogen butenedioate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: fumarate(2-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: fumaric acid
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: (2E)-3-carboxyacrylate
has_exact_synonym: (2E)-3-carboxyprop-2-enoate
has_related_synonym: 115.06422
definition: A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid.
database_cross_reference: Beilstein:1906438
has_related_synonym: C4H3O4
id: CHEBI:37154
database_cross_reference: Gmelin:325290
has_related_synonym: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1+
has_related_synonym: OC(=O)\C=C\C([O-])=O
database_cross_reference: Reaxys:1906438
has_related_synonym: VZCYOOQTPOCHFL-OWOJBTEDSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: fumarate monoanion
has_related_synonym: hydrogen fumarate
imported from: chebi.owl

hydrogen butenedioate
type: Class
subclass of: dicarboxylic acid monoanion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: butenedioate
subclass of: Restriction
  on property: is conjugate base of
  some values from: butenedioic acid
has_related_synonym: 115.06422
has_related_synonym: 3-carboxyacrylate
has_exact_synonym: 3-carboxyprop-2-enoate
definition: A dicarboxylic acid monoanion that has formula C4H3O4.
database_cross_reference: Beilstein:5244783
has_related_synonym: C4H3O4
id: CHEBI:37155
database_cross_reference: Gmelin:1342303
has_related_synonym: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1
has_related_synonym: VZCYOOQTPOCHFL-UHFFFAOYSA-M
has_related_synonym: [H]C(=C([H])C([O-])=O)C(O)=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic hydride
type: Class
subclass of: hydrides
id: CHEBI:37175
has_obo_namespace: chebi_ontology
has_related_synonym: organic hydrides
imported from: chebi.owl

mononuclear parent hydride
type: Class
subclass of: hydrides
id: CHEBI:37176
has_obo_namespace: chebi_ontology
has_related_synonym: mononuclear hydride
has_related_synonym: mononuclear hydrides
has_exact_synonym: mononuclear parent hydrides
imported from: chebi.owl

hexol
type: Class
subclass of: polyol
definition: A polyol that contains 6 hydroxy groups.
id: CHEBI:37206
has_obo_namespace: chebi_ontology
has_exact_synonym: hexol
has_related_synonym: hexols
imported from: chebi.owl

elemental molybdenum
type: Class
subclass of: molybdenum molecular entity
id: CHEBI:37237
has_obo_namespace: chebi_ontology
imported from: chebi.owl

molybdenum cation
type: Class
subclass of: transition element cation
subclass of: elemental molybdenum
id: CHEBI:37239
has_related_synonym: Mo
has_related_synonym: Mo cation
has_obo_namespace: chebi_ontology
has_exact_synonym: molybdenum cation
has_related_synonym: molybdenum cations
imported from: chebi.owl

adenosine 3',5'-bisphosphate
type: Class
subclass of: adenosine bisphosphate
id: CHEBI:37240
has_related_synonym: adenosine 3',5'-bisphosphates
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental potassium
type: Class
subclass of: potassium molecular entity
id: CHEBI:37247
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental zinc
type: Class
subclass of: zinc molecular entity
id: CHEBI:37253
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental copper
type: Class
subclass of: copper molecular entity
id: CHEBI:37404
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclic ether
type: Class
subclass of: ether
subclass of: oxacycle
definition: Any ether in which the oxygen atom forms part of a ring.
has_alternative_id: CHEBI:37406
id: CHEBI:37407
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic ether
has_related_synonym: cyclic ethers
has_exact_synonym: cyclic ethers
has_exact_synonym: epoxy compounds
has_related_synonym: epoxy compounds
imported from: chebi.owl

hydroxyanthraquinones
type: Class
subclass of: anthraquinone
subclass of: phenols
definition: An anthraquinone substituted with one or more hydroxy groups.
has_alternative_id: CHEBI:13829
has_alternative_id: CHEBI:24672
id: CHEBI:37485
has_related_synonym: an hydroxyanthraquinone
has_obo_namespace: chebi_ontology
imported from: chebi.owl

trihydroxyanthraquinone
type: Class
subclass of: hydroxyanthraquinones
definition: A member of the class of hydroxyanthraquinones carrying three hydroxy substituents.
has_related_synonym: C14H8O5
id: CHEBI:37488
database_cross_reference: Wikipedia:Trihydroxyanthraquinone
has_obo_namespace: chebi_ontology
has_related_synonym: trihydroxy-9,10-anthraquinones
imported from: chebi.owl

acid
type: Class
subclass of: chemical role
has_exact_synonym: Acid
definition: An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid).
has_alternative_id: CHEBI:13800
has_alternative_id: CHEBI:13801
has_alternative_id: CHEBI:22209
has_alternative_id: CHEBI:2426
id: CHEBI:37527
database_cross_reference: KEGG:C00174
has_related_synonym: Saeure
has_related_synonym: Saeuren
has_exact_synonym: acid
has_related_synonym: acide
has_related_synonym: acido
has_related_synonym: acids
has_related_synonym: an acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fatty acyl-CoA
type: Class
subclass of: acyl-CoA
subclass of: Restriction
  on property: has functional parent
  some values from: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: fatty acyl-CoA(4-)
has_related_synonym: 794.53600
definition: An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any fatty acid.
has_related_synonym: C22H35N7O17P3SR
has_alternative_id: CHEBI:24025
id: CHEBI:37554
has_alternative_id: CHEBI:4987
has_related_synonym: Fatty acyl CoA
database_cross_reference: PMID:11524729
database_cross_reference: PMID:20442897
database_cross_reference: PMID:2079609
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acyl-coenzyme A
has_related_synonym: fatty acyl-coenzyme As
imported from: chebi.owl

alpha-L-arabinofuranoside
type: Class
subclass of: alpha-L-arabinoside
has_alternative_id: CHEBI:10287
has_alternative_id: CHEBI:22418
id: CHEBI:37572
database_cross_reference: KEGG:C03645
has_exact_synonym: alpha-L-Arabinofuranoside
has_related_synonym: alpha-L-arabinofuranosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

heteroatomic molecular entity
type: Class
subclass of: polyatomic entity
definition: A molecular entity consisting of two or more chemical elements.
id: CHEBI:37577
has_obo_namespace: chebi_ontology
has_related_synonym: chemical compound
has_related_synonym: heteroatomic molecular entities
imported from: chebi.owl

gamma-lactone
type: Class
subclass of: lactone
has_related_synonym: 1,4-Lactone
has_related_synonym: 1,4-lactones
definition: A lactone having a five-membered lactone ring.
has_alternative_id: CHEBI:13194
has_alternative_id: CHEBI:18937
has_alternative_id: CHEBI:22971
id: CHEBI:37581
has_alternative_id: CHEBI:541
database_cross_reference: PMID:18789684
has_related_synonym: a 1,4-lactone
has_related_synonym: butyrolactones
has_obo_namespace: chebi_ontology
has_related_synonym: gamma-Laktone
has_related_synonym: gamma-lactona
has_related_synonym: gamma-lactonas
has_related_synonym: gamma-lactones
imported from: chebi.owl

cis-octadec-9-ene
type: Class
subclass of: octadec-9-ene
has_exact_synonym: (9Z)-octadec-9-ene
has_related_synonym: (Z)-9-octadecene
has_related_synonym: 252.47844
definition: An octadec-9-ene that has formula C18H36.
database_cross_reference: Beilstein:1721559
has_related_synonym: C18H36
database_cross_reference: CAS:1779-13-1
has_related_synonym: CCCCCCCC\C=C/CCCCCCCC
id: CHEBI:37604
has_related_synonym: HSNQNPCNYIJJHT-ZCXUNETKSA-N
has_related_synonym: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17-
has_obo_namespace: chebi_ontology
has_related_synonym: cis-9-octadecene
imported from: chebi.owl

octadec-9-ene
type: Class
subclass of: octadecene
has_related_synonym: 252.47844
definition: An octadecene that has formula C18H36.
database_cross_reference: Beilstein:8330440
has_related_synonym: C18H36
id: CHEBI:37605
has_related_synonym: HSNQNPCNYIJJHT-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
has_related_synonym: [H]C(CCCCCCCC)=C([H])CCCCCCCC
has_obo_namespace: chebi_ontology
has_exact_synonym: octadec-9-ene
imported from: chebi.owl

octadecene
type: Class
subclass of: alkene
definition: An alkene that is octadecane containing one double bond at unspecified position.
has_related_synonym: C18H36
id: CHEBI:37606
has_obo_namespace: chebi_ontology
has_exact_synonym: octadecene
imported from: chebi.owl

L-galactose
type: Class
subclass of: galactose
has_related_synonym: C6H12O6
id: CHEBI:37618
has_related_synonym: L-Gal
has_exact_synonym: L-galacto-hexose
has_exact_synonym: L-galactose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

L-galactopyranose
type: Class
subclass of: L-galactose
subclass of: galactopyranose
has_related_synonym: 180.15588
database_cross_reference: Beilstein:1423216
has_related_synonym: C6H12O6
id: CHEBI:37619
database_cross_reference: Gmelin:1420663
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m0/s1
has_exact_synonym: L-galactopyranose
has_related_synonym: L-galactose
has_related_synonym: OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
database_cross_reference: Reaxys:1423216
definition: The L-enantiomer of galactopyranose.
has_related_synonym: WQZGKKKJIJFFOK-DHVFOXMCSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-L-galactose
type: Class
subclass of: L-galactopyranose
subclass of: Restriction
  on property: is enantiomer of
  some values from: beta-D-galactose
has_related_synonym: 180.15588
definition: A L-galactopyranose with a beta-configuration at the anomeric position.
database_cross_reference: Beilstein:1907370
has_related_synonym: C6H12O6
id: CHEBI:37620
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m0/s1
database_cross_reference: Reaxys:1907370
has_related_synonym: WQZGKKKJIJFFOK-KGJVWPDLSA-N
has_exact_synonym: beta-L-galactopyranose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

galactopyranose
type: Class
subclass of: galactose
has_related_synonym: C6H12O6
id: CHEBI:37621
definition: The pyranose form of galactose.
has_obo_namespace: chebi_ontology
has_exact_synonym: galactopyranose
imported from: chebi.owl

carboxamide
type: Class
subclass of: primary amide
subclass of: organonitrogen compound
subclass of: organooxygen compound
subclass of: Restriction
  on property: has part
  some values from: carbamoyl group
has_related_synonym: 42.01680
definition: An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom.
has_alternative_id: CHEBI:35354
has_alternative_id: CHEBI:35355
id: CHEBI:37622
has_related_synonym: CNOR3
has_related_synonym: [*]C(=O)N([*])[*]
has_exact_synonym: carboxamides
has_related_synonym: carboxamides
has_obo_namespace: chebi_ontology
has_related_synonym: primary carboxamide
imported from: chebi.owl

L-glucose
type: Class
subclass of: glucose
database_cross_reference: Beilstein:1724626
has_related_synonym: C6H12O6
database_cross_reference: CAS:921-60-8
id: CHEBI:37624
has_related_synonym: L(-)-glucose
has_exact_synonym: L-gluco-hexose
has_exact_synonym: L-glucose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

L-glucopyranose
type: Class
subclass of: L-glucose
subclass of: glucopyranose
has_related_synonym: 180.15588
database_cross_reference: Beilstein:2206321
has_related_synonym: C6H12O6
id: CHEBI:37627
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1
has_exact_synonym: L-glucopyranose
has_related_synonym: OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O
database_cross_reference: Reaxys:2206321
definition: The L-enantiomer of glucopyranose.
has_related_synonym: WQZGKKKJIJFFOK-ZZWDRFIYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-L-glucose
type: Class
subclass of: L-glucopyranose
subclass of: Restriction
  on property: is enantiomer of
  some values from: beta-D-glucose
has_related_synonym: 180.15588
definition: A L-glucopyranose with a beta-configuration at the anomeric position.
database_cross_reference: Beilstein:1907373
has_related_synonym: C6H12O6
id: CHEBI:37631
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1
database_cross_reference: Reaxys:1907373
has_related_synonym: WQZGKKKJIJFFOK-QYESYBIKSA-N
has_exact_synonym: beta-L-glucopyranose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oleanolic acid
type: Class
subclass of: pentacyclic triterpenoid
subclass of: hydroxy monocarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: oleanolate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: oleanane
has_related_synonym: 3beta-Hydroxyolean-12-en-28-oic acid
has_exact_synonym: 3beta-hydroxyolean-12-en-28-oic acid
has_related_synonym: 456.70030
definition: A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3.
has_related_synonym: Astrantiagenin C
has_related_synonym: C30H48O3
database_cross_reference: CAS:508-02-1
id: CHEBI:37659
has_related_synonym: Caryophyllin
has_related_synonym: Giganteumgenin C
has_related_synonym: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
database_cross_reference: KEGG:C17148
has_related_synonym: MIJYXULNPSFWEK-GTOFXWBISA-N
has_related_synonym: Oleanic acid
database_cross_reference: PMID:15541359
database_cross_reference: PMID:24393202
has_related_synonym: Virgaureagenin B
database_cross_reference: Wikipedia:Oleanolic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glucopyranose
type: Class
subclass of: glucose
has_related_synonym: C6H12O6
id: CHEBI:37661
has_obo_namespace: chebi_ontology
has_exact_synonym: glucopyranose
imported from: chebi.owl

sesquiterpene lactone
type: Class
subclass of: sesquiterpenoid
subclass of: terpene lactone
definition: Any member of a diverse class of complex, multicyclic phytochemicals showing a variety of skeleton arrangements and bioactivities, and having in common a sesquiterpenoid structure including a lactone ring.
id: CHEBI:37667
has_obo_namespace: chebi_ontology
has_related_synonym: sesquiterpene lactones
imported from: chebi.owl

terpene lactone
type: Class
subclass of: lactone
subclass of: terpenoid
id: CHEBI:37668
has_obo_namespace: chebi_ontology
has_related_synonym: terpene lactones
imported from: chebi.owl

protein kinase inhibitor
type: Class
subclass of: EC 2.7.* (P-containing group transferase) inhibitor
definition: An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
id: CHEBI:37699
has_obo_namespace: chebi_ontology
has_related_synonym: protein kinase inhibitors
imported from: chebi.owl

phosphatidyl oligosaccharide
type: Class
subclass of: glycoglycerolipid
subclass of: glycophospholipid
id: CHEBI:37711
has_obo_namespace: chebi_ontology
has_related_synonym: phosphatidyl oligosaccharides
imported from: chebi.owl

phosphoric ester
type: Class
subclass of: phosphoric acid derivative
subclass of: ester
has_alternative_id: CHEBI:26019
id: CHEBI:37734
has_obo_namespace: chebi_ontology
has_related_synonym: phosphate esters
has_related_synonym: phosphoric esters
imported from: chebi.owl

elemental silicon
type: Class
subclass of: silicon molecular entity
id: CHEBI:37763
has_obo_namespace: chebi_ontology
imported from: chebi.owl

butane
type: Class
subclass of: alkane
subclass of: Restriction
  on property: has role
  some values from: food propellant
subclass of: Restriction
  on property: has role
  some values from: refrigerant
has_related_synonym: 58.12220
definition: A straight chain alkane composed of 4 carbon atoms.
database_cross_reference: Beilstein:969129
has_related_synonym: C4H10
database_cross_reference: CAS:106-97-8
has_related_synonym: CCCC
has_alternative_id: CHEBI:22945
has_alternative_id: CHEBI:25462
id: CHEBI:37808
has_alternative_id: CHEBI:44430
has_related_synonym: E 943a
has_related_synonym: E-943a
has_related_synonym: E943a
database_cross_reference: Gmelin:1148
has_related_synonym: IJDNQMDRQITEOD-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
has_related_synonym: N-BUTANE
database_cross_reference: PDBeChem:NBU
database_cross_reference: PMID:24179026
has_related_synonym: R-600
database_cross_reference: Reaxys:969129
database_cross_reference: Wikipedia:Butane
has_exact_synonym: butane
has_obo_namespace: chebi_ontology
has_related_synonym: n-Butan
has_related_synonym: n-C4H10
has_related_synonym: n-butane
imported from: chebi.owl

carboacyl group
type: Class
subclass of: acyl group
subclass of: Restriction
  on property: is substituent group from
  some values from: carboxylic acid
definition: A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid.
id: CHEBI:37838
has_exact_synonym: carboacyl groups
has_exact_synonym: carboxylic acyl group
has_related_synonym: carboxylic acyl groups
has_obo_namespace: chebi_ontology
imported from: chebi.owl

plant hormone
type: Class
subclass of: hormone
subclass of: plant growth regulator
definition: A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
has_alternative_id: CHEBI:26158
id: CHEBI:37848
database_cross_reference: Wikipedia:Phytohormone
has_obo_namespace: chebi_ontology
has_related_synonym: phytohormone
has_related_synonym: phytohormones
has_related_synonym: plant growth factor
has_related_synonym: plant growth factors
has_related_synonym: plant growth hormone
has_related_synonym: plant growth hormones
has_related_synonym: plant hormones
imported from: chebi.owl

hydroxycoumarin
type: Class
subclass of: coumarins
definition: Any coumarin carrying at least one hydroxy substituent.
has_alternative_id: CHEBI:24691
has_alternative_id: CHEBI:24692
id: CHEBI:37912
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxycoumarins
imported from: chebi.owl

oxaspiro compound
type: Class
subclass of: spiro compound
definition: A spiro compound in which at least one of the cyclic components is an oxygen heterocyle.
id: CHEBI:37948
has_obo_namespace: chebi_ontology
has_related_synonym: oxaspiro compounds
imported from: chebi.owl

dye
type: Class
subclass of: application
id: CHEBI:37958
has_related_synonym: Farbstoff
has_related_synonym: Farbstoffe
has_obo_namespace: chebi_ontology
has_related_synonym: colorante
has_related_synonym: colorantes
has_related_synonym: dyes
has_related_synonym: teinture
has_related_synonym: teintures
imported from: chebi.owl

pyranone
type: Class
subclass of: pyrans
definition: Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent.
id: CHEBI:37963
has_obo_namespace: chebi_ontology
has_related_synonym: oxopyrans
has_exact_synonym: pyranone
has_related_synonym: pyranones
has_related_synonym: pyrone
has_related_synonym: pyrones
imported from: chebi.owl

carbotricyclic compound
type: Class
subclass of: carbopolycyclic compound
subclass of: organic tricyclic compound
definition: A carbopolyclic compound comprising of three carbocyclic rings.
id: CHEBI:38032
has_related_synonym: carbotricyclic compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antimalarial
type: Class
subclass of: antiplasmodial drug
definition: A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
id: CHEBI:38068
has_related_synonym: antimalarials
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anti-arrhythmia drug
type: Class
subclass of: cardiovascular drug
definition: A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
id: CHEBI:38070
has_related_synonym: antiarrhythmic agent
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polypyrrole
type: Class
subclass of: organonitrogen heterocyclic compound
definition: A compound composed of two or more pyrrole units.
database_cross_reference: Beilstein:8538310
id: CHEBI:38077
has_related_synonym: PPys
has_obo_namespace: chebi_ontology
has_related_synonym: poly(pyrrole)s
has_related_synonym: polypyrroles
imported from: chebi.owl

organonitrogen heterocyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: organonitrogen compound
definition: Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms.
id: CHEBI:38101
has_obo_namespace: chebi_ontology
has_related_synonym: heterocyclic organonitrogen compounds
has_related_synonym: organonitrogen heterocyclic compounds
imported from: chebi.owl

oxacycle
type: Class
subclass of: organic heterocyclic compound
subclass of: organooxygen compound
definition: Any organic heterocyclic compound containing at least one ring oxygen atom.
id: CHEBI:38104
database_cross_reference: PMID:17134300
has_obo_namespace: chebi_ontology
has_related_synonym: heterocyclic organooxygen compounds
has_related_synonym: organooxygen heterocyclic compounds
has_related_synonym: oxacycles
imported from: chebi.owl

lactol
type: Class
subclass of: hemiacetal
id: CHEBI:38131
definition: Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues.
has_obo_namespace: chebi_ontology
has_exact_synonym: lactol
has_related_synonym: lactols
has_exact_synonym: lactols
imported from: chebi.owl

Collagen
type: Class
subclass of: polymer
has_related_synonym: C4H6N2O3R2(C7H9N2O2R)n
database_cross_reference: CAS:9064-67-9
id: CHEBI:3815
has_exact_synonym: Collagen
database_cross_reference: KEGG:C00211
has_obo_namespace: chebi_ontology
imported from: chebi.owl

chelator
type: Class
subclass of: ligand
definition: A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
has_alternative_id: CHEBI:23090
has_alternative_id: CHEBI:3585
id: CHEBI:38161
has_alternative_id: CHEBI:6789
has_related_synonym: Chelating agent
database_cross_reference: KEGG:C00917
database_cross_reference: KEGG:C02169
has_related_synonym: Metal chelator
has_obo_namespace: chebi_ontology
has_related_synonym: chelating agents
has_related_synonym: chelators
has_related_synonym: complexon
imported from: chebi.owl

organic heterotetracyclic compound
type: Class
subclass of: organic heteropolycyclic compound
id: CHEBI:38163
has_obo_namespace: chebi_ontology
has_related_synonym: organic heterotetracyclic compounds
imported from: chebi.owl

organic heteropentacyclic compound
type: Class
subclass of: organic heteropolycyclic compound
id: CHEBI:38164
has_obo_namespace: chebi_ontology
has_related_synonym: organic heteropentacyclic compounds
imported from: chebi.owl

organic heteropolycyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: heteropolycyclic compound
has_alternative_id: CHEBI:25429
has_alternative_id: CHEBI:38075
id: CHEBI:38166
has_obo_namespace: chebi_ontology
has_related_synonym: organic heteropolycyclic compounds
imported from: chebi.owl

monocyclic heteroarene
type: Class
subclass of: heteroarene
id: CHEBI:38179
has_obo_namespace: chebi_ontology
has_related_synonym: monocyclic heteroarenes
imported from: chebi.owl

polycyclic heteroarene
type: Class
subclass of: heteroarene
id: CHEBI:38180
has_obo_namespace: chebi_ontology
has_related_synonym: polycyclic heteroarenes
imported from: chebi.owl

pyridinemonocarboxylate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: pyridinemonocarboxylic acid
definition: A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'.
id: CHEBI:38181
has_obo_namespace: chebi_ontology
has_related_synonym: pyridinemonocarboxylates
imported from: chebi.owl

phytotoxin
type: Class
subclass of: toxin
subclass of: plant metabolite
definition: Any toxin produced by a plant.
id: CHEBI:38231
has_obo_namespace: chebi_ontology
has_related_synonym: phytotoxins
imported from: chebi.owl

DNA polymerase inhibitor
type: Class
subclass of: EC 2.7.7.* (nucleotidyltransferase) inhibitor
definition: Any inhibitor of a DNA polymerase.
id: CHEBI:38234
has_obo_namespace: chebi_ontology
imported from: chebi.owl

magnesium tetrapyrrole
type: Class
subclass of: metallotetrapyrrole
subclass of: magnesium coordination entity
id: CHEBI:38251
has_obo_namespace: chebi_ontology
has_related_synonym: magnesium tetrapyrroles
imported from: chebi.owl

pyrrolidines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
definition: Any of a class of heterocyclic amines having a saturated five-membered ring.
has_alternative_id: CHEBI:26922
has_alternative_id: CHEBI:38191
id: CHEBI:38260
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-amino-3-hydroxybutanoic acid
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 119.11920
has_exact_synonym: 2-amino-3-hydroxybutanoic acid
has_related_synonym: AYFVYJQAPQTCCC-UHFFFAOYSA-N
definition: An alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3.
database_cross_reference: Beilstein:1098902
has_related_synonym: C4H9NO3
has_related_synonym: CC(O)C(N)C(O)=O
id: CHEBI:38263
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-amino-3-methylpentanoic acid
type: Class
subclass of: branched-chain amino acid
subclass of: alpha-amino acid
has_related_synonym: 131.17296
has_exact_synonym: 2-amino-3-methylpentanoic acid
definition: A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2.
has_related_synonym: AGPKZVBTJJNPAG-UHFFFAOYSA-N
has_related_synonym: C6H13NO2
database_cross_reference: CAS:443-79-8
has_related_synonym: CCC(C)C(N)C(O)=O
id: CHEBI:38264
has_related_synonym: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
database_cross_reference: KEGG:C16434
database_cross_reference: PMID:10944265
database_cross_reference: Reaxys:1721790
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzodioxoles
type: Class
subclass of: organic heterobicyclic compound
subclass of: oxacycle
id: CHEBI:38298
has_obo_namespace: chebi_ontology
imported from: chebi.owl

camphene
type: Class
subclass of: monoterpene
subclass of: carbobicyclic compound
subclass of: Restriction
  on property: has role
  some values from: fragrance
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 136.23404
has_related_synonym: 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
has_related_synonym: 2,2-dimethyl-3-methylenenorbornane
has_exact_synonym: 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
has_related_synonym: 3,3-dimethyl-2-methylenenorbornane
has_related_synonym: 3,3-dimethyl-2-methylenenorcamphane
definition: A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils.
has_related_synonym: C10H16
database_cross_reference: CAS:79-92-5
has_related_synonym: CC1(C)C2CCC(C2)C1=C
id: CHEBI:3830
has_related_synonym: CRPUJAZIXJMDBK-UHFFFAOYSA-N
has_exact_synonym: Camphene
has_related_synonym: Comphene
database_cross_reference: HMDB:HMDB59839
has_related_synonym: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
database_cross_reference: KEGG:C06076
database_cross_reference: KNApSAcK:C00003029
database_cross_reference: PMID:15949824
database_cross_reference: PMID:23513745
database_cross_reference: Reaxys:1903765
database_cross_reference: Wikipedia:Camphene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

diazines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
definition: Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure).
id: CHEBI:38313
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cholinergic drug
type: Class
subclass of: neurotransmitter agent
definition: Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons.
id: CHEBI:38323
has_obo_namespace: chebi_ontology
has_related_synonym: cholinergic agent
has_related_synonym: cholinergic drugs
has_related_synonym: cholinomimetic
imported from: chebi.owl

cholinergic agonist
type: Class
subclass of: cholinergic drug
definition: Any drug that binds to and activates cholinergic receptors.
id: CHEBI:38324
has_related_synonym: acetylcholine agonist
has_related_synonym: acetylcholine agonists
has_related_synonym: acetylcholine receptor agonist
has_obo_namespace: chebi_ontology
has_related_synonym: cholinergic agonists
has_related_synonym: cholinomimetic
has_related_synonym: cholinomimetics
imported from: chebi.owl

muscarinic agonist
type: Class
subclass of: cholinergic agonist
definition: Any drug that binds to and activates a muscarinic cholinergic receptor.
id: CHEBI:38325
has_obo_namespace: chebi_ontology
has_related_synonym: muscarinic acetylcholine receptor agonist
has_related_synonym: muscarinic agonists
has_related_synonym: muscarinic cholinergic agonist
has_related_synonym: muscarinic cholinergic agonists
imported from: chebi.owl

pyrimidone
type: Class
subclass of: pyrimidines
definition: A pyrimidine carrying one or more oxo substituents.
id: CHEBI:38337
has_obo_namespace: chebi_ontology
has_related_synonym: pyrimidones
imported from: chebi.owl

1-benzopyran
type: Class
subclass of: benzopyran
has_related_synonym: 1-benzopyrans
id: CHEBI:38443
has_obo_namespace: chebi_ontology
imported from: chebi.owl

chromenone
type: Class
subclass of: chromenes
id: CHEBI:38445
has_obo_namespace: chebi_ontology
has_related_synonym: chromenones
imported from: chebi.owl

EC 3.1.1.7 (acetylcholinesterase) inhibitor
type: Class
subclass of: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
has_related_synonym: AChEI
has_related_synonym: AcCholE inhibitor
has_related_synonym: AcCholE inhibitors
definition: An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
id: CHEBI:38462
has_related_synonym: EC 3.1.1.7 (acetylcholinesterase) inhibitors
has_related_synonym: EC 3.1.1.7 inhibitor
has_related_synonym: EC 3.1.1.7 inhibitors
database_cross_reference: Wikipedia:Acetylcholinesterase_inhibitor
has_related_synonym: acetyl.beta-methylcholinesterase inhibitor
has_related_synonym: acetyl.beta-methylcholinesterase inhibitors
has_related_synonym: acetylcholine acetylhydrolase inhibitor
has_related_synonym: acetylcholine acetylhydrolase inhibitors
has_related_synonym: acetylcholine esterase inhibitor
has_related_synonym: acetylcholine hydrolase inhibitor
has_related_synonym: acetylcholine hydrolase inhibitors
has_related_synonym: acetylcholinesterase (EC 3.1.1.7) inhibitor
has_related_synonym: acetylcholinesterase (EC 3.1.1.7) inhibitors
has_related_synonym: acetylcholinesterase inhibitor
has_related_synonym: acetylcholinesterase inhibitors
has_related_synonym: acetylthiocholinesterase inhibitor
has_related_synonym: acetylthiocholinesterase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: choline esterase I inhibitor
has_related_synonym: choline esterase I inhibitors
has_related_synonym: cholinesterase inhibitor
has_related_synonym: cholinesterase inhibitors
has_related_synonym: true cholinesterase inhibitor
has_related_synonym: true cholinesterase inhibitors
imported from: chebi.owl

indole alkaloid fundamental parent
type: Class
subclass of: alkaloid fundamental parent
id: CHEBI:38482
has_obo_namespace: chebi_ontology
has_related_synonym: indole alkaloid fundamental parents
imported from: chebi.owl

electron-transport chain inhibitor
type: Class
subclass of: pathway inhibitor
id: CHEBI:38496
has_related_synonym: ETC inhibitor
has_obo_namespace: chebi_ontology
has_related_synonym: electron transport chain inhibitors
imported from: chebi.owl

respiratory-chain inhibitor
type: Class
subclass of: electron-transport chain inhibitor
id: CHEBI:38497
has_obo_namespace: chebi_ontology
has_related_synonym: respiratory chain inhibitor
has_related_synonym: respiratory electron-transport chain inhibitor
has_related_synonym: respiratory-chain inhibitors
imported from: chebi.owl

quinoline alkaloid fundamental parent
type: Class
subclass of: alkaloid fundamental parent
id: CHEBI:38514
has_obo_namespace: chebi_ontology
has_related_synonym: quinoline alkaloid fundamental parents
imported from: chebi.owl

isoquinoline alkaloid fundamental parent
type: Class
subclass of: alkaloid fundamental parent
id: CHEBI:38515
has_obo_namespace: chebi_ontology
has_related_synonym: isoquinoline alkaloid fundamental parents
imported from: chebi.owl

spermidine alkaloid
type: Class
subclass of: alkaloid
subclass of: Restriction
  on property: has functional parent
  some values from: spermidine
id: CHEBI:38524
has_obo_namespace: chebi_ontology
has_related_synonym: spermidine alkaloids
imported from: chebi.owl

terpene alkaloid fundamental parent
type: Class
subclass of: alkaloid fundamental parent
id: CHEBI:38525
has_obo_namespace: chebi_ontology
has_related_synonym: terpene alkaloid fundamental parents
imported from: chebi.owl

pyridine alkaloid fundamental parent
type: Class
subclass of: alkaloid fundamental parent
id: CHEBI:38528
has_obo_namespace: chebi_ontology
has_related_synonym: pyridine alkaloid fundamental parents
imported from: chebi.owl

cyclopentapyran
type: Class
subclass of: organic heterobicyclic compound
subclass of: oxacycle
id: CHEBI:38606
has_obo_namespace: chebi_ontology
has_related_synonym: cyclopentapyrans
imported from: chebi.owl

aminoalkylindole
type: Class
subclass of: indoles
has_alternative_id: CHEBI:22503
has_alternative_id: CHEBI:24792
id: CHEBI:38631
has_related_synonym: aminoalkylindoles
has_obo_namespace: chebi_ontology
imported from: chebi.owl

membrane transport modulator
type: Class
subclass of: biophysical role
definition: Any agent that affects the transport of molecular entities across a biological membrane.
id: CHEBI:38632
has_obo_namespace: chebi_ontology
has_related_synonym: membrane transport modulators
imported from: chebi.owl

tyrosine kinase inhibitor
type: Class
subclass of: protein kinase inhibitor
definition: Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
id: CHEBI:38637
has_related_synonym: TKI inhibitor
has_related_synonym: TKI inhibitors
database_cross_reference: Wikipedia:Tyrosine-kinase_inhibitor
has_obo_namespace: chebi_ontology
has_related_synonym: protein tyrosine kinase inhibitor
has_related_synonym: protein tyrosine kinase inhibitors
has_related_synonym: tyrosine kinase inhibitors
has_related_synonym: tyrphostin
has_related_synonym: tyrphostins
imported from: chebi.owl

trimethylbenzene
type: Class
subclass of: methylbenzene
has_related_synonym: C9H12
database_cross_reference: CAS:25551-13-7
id: CHEBI:38641
has_obo_namespace: chebi_ontology
has_related_synonym: methylxylene
has_related_synonym: trimethyl benzene
has_exact_synonym: trimethylbenzene
has_related_synonym: trimethylbenzenes
imported from: chebi.owl

methylbutyric acid
type: Class
subclass of: short-chain fatty acid
subclass of: branched-chain saturated fatty acid
subclass of: methyl-branched fatty acid
subclass of: Restriction
  on property: has functional parent
  some values from: butyric acid
definition: A methyl-branched fatty acid comprising a butyric acid core carrying a single methyl substituent.
has_related_synonym: C5H10O2
id: CHEBI:38653
database_cross_reference: PMID:13105653
has_obo_namespace: chebi_ontology
has_exact_synonym: methylbutanoic acid
imported from: chebi.owl

flavans
type: Class
subclass of: phenylpropanoid
subclass of: 1-benzopyran
subclass of: flavonoid
definition: Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives.
id: CHEBI:38672
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetrahydroxyflavone
type: Class
subclass of: hydroxyflavone
definition: Any hydroxyflavone carrying four hydroxy substituents.
has_alternative_id: CHEBI:26924
has_alternative_id: CHEBI:27117
id: CHEBI:38684
has_obo_namespace: chebi_ontology
has_exact_synonym: tetrahydroxyflavone
has_related_synonym: tetrahydroxyflavones
imported from: chebi.owl

carboxylic acid dianion
type: Class
subclass of: carboxylic acid anion
definition: Any dianion containing at least one carboxy group.
id: CHEBI:38716
has_exact_synonym: carboxylic acid dianion
has_related_synonym: carboxylic acid dianions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carboxylic acid trianion
type: Class
subclass of: carboxylic acid anion
definition: A trianion containing at least one carboxy group.
id: CHEBI:38717
has_exact_synonym: carboxylic acid trianion
has_related_synonym: carboxylic acid trianions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monomethoxyflavanone
type: Class
subclass of: methoxyflavanone
definition: Any methoxyflavanone that is flavanone substituted by a methoxy group.
id: CHEBI:38738
has_obo_namespace: chebi_ontology
has_related_synonym: monomethoxyflavanones
imported from: chebi.owl

trihydroxyflavanone
type: Class
subclass of: hydroxyflavanone
definition: A hydroxyflavanone carrying three hydroxy substituents.
id: CHEBI:38739
has_obo_namespace: chebi_ontology
has_related_synonym: trihydroxyflavanones
imported from: chebi.owl

tetrahydroxyflavanone
type: Class
subclass of: hydroxyflavanone
definition: A hydroxyflavanone with atleast four hydroxy substituents.
id: CHEBI:38742
has_obo_namespace: chebi_ontology
has_related_synonym: tetrahydroxyflavanones
imported from: chebi.owl

dihydroxyflavanone
type: Class
subclass of: hydroxyflavanone
definition: Any hydroxyflavanone carrying two hydroxy substituents.
id: CHEBI:38749
has_obo_namespace: chebi_ontology
has_related_synonym: dihydroxyflavanones
imported from: chebi.owl

triamine
type: Class
subclass of: polyamine
definition: Any polyamine that contained three amino groups.
id: CHEBI:38751
has_obo_namespace: chebi_ontology
has_exact_synonym: triamines
imported from: chebi.owl

hydroxyisoflavone
type: Class
subclass of: organic hydroxy compound
subclass of: isoflavones
id: CHEBI:38755
definition: Member of the class of isoflavones bearing at least one hydroxy group.
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxyisoflavones
imported from: chebi.owl

methoxyisoflavone
type: Class
subclass of: ether
subclass of: isoflavones
id: CHEBI:38756
definition: Members of the class of isoflavones with at least one methoxy substituent.
has_obo_namespace: chebi_ontology
has_related_synonym: methoxyisoflavones
imported from: chebi.owl

isoflavones
type: Class
subclass of: cyclic ketone
subclass of: isoflavonoid
definition: Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives.
has_alternative_id: CHEBI:24889
has_alternative_id: CHEBI:24894
id: CHEBI:38757
database_cross_reference: MetaCyc:Isoflavones
has_related_synonym: an isoflavone
has_obo_namespace: chebi_ontology
has_exact_synonym: isoflavones
imported from: chebi.owl

Coriamyrtin
type: Class
subclass of: gamma-lactone
has_related_synonym: 278.301
definition: A gamma-lactone that has formula C15H18O5.
has_related_synonym: BWWDLKVKPVKBGJ-TWMZOSGRSA-N
has_related_synonym: C15H18O5
database_cross_reference: CAS:2571-86-0
id: CHEBI:3882
has_exact_synonym: Coriamyrtin
has_related_synonym: InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11-,13-,14+,15-/m0/s1
database_cross_reference: KEGG:C09379
database_cross_reference: KNApSAcK:C00003238
has_obo_namespace: chebi_ontology
imported from: chebi.owl

benzofurochromene
type: Class
subclass of: organic heteropolycyclic compound
definition: An organic heteropolycyclic compound whose skeleton consists of a chromene ring fused onto a 1-benzofuran ring, together with their substituted derivatives.
id: CHEBI:38834
has_related_synonym: benzofurochromenes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

indole alkaloid
type: Class
subclass of: alkaloid
subclass of: Restriction
  on property: has part
  some values from: indole skeleton
definition: An alkaloid containing an indole skeleton.
has_alternative_id: CHEBI:24795
id: CHEBI:38958
has_alternative_id: CHEBI:5901
has_exact_synonym: Indole alkaloid
database_cross_reference: KEGG:C06073
database_cross_reference: Wikipedia:Indole_alkaloid
has_obo_namespace: chebi_ontology
has_related_synonym: indole alkaloids
imported from: chebi.owl

methylbenzene
type: Class
subclass of: alkylbenzene
definition: Any alkylbenzene that is benzene substituted with one or more methyl groups.
id: CHEBI:38975
has_obo_namespace: chebi_ontology
has_related_synonym: methylbenzenes
imported from: chebi.owl

alkylbenzene
type: Class
subclass of: benzenes
subclass of: monocyclic arene
subclass of: Restriction
  on property: has parent hydride
  some values from: benzene
definition: A monocyclic arene that is benzene substituted with one or more alkyl groups.
has_related_synonym: Alkylbenzol
id: CHEBI:38976
has_exact_synonym: alkylbenzene
has_related_synonym: alkylbenzenes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

calcium cation
type: Class
subclass of: alkaline earth cation
subclass of: calcium ion
id: CHEBI:39123
has_related_synonym: Ca
has_exact_synonym: calcium cation
has_related_synonym: calcium cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

calcium ion
type: Class
subclass of: metal cation
subclass of: elemental calcium
id: CHEBI:39124
has_related_synonym: Ca
has_exact_synonym: calcium ion
has_related_synonym: calcium ions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

barium cation
type: Class
subclass of: alkaline earth cation
subclass of: barium ion
has_related_synonym: Ba
id: CHEBI:39125
has_exact_synonym: barium cation
has_related_synonym: barium cations
has_obo_namespace: chebi_ontology
imported from: chebi.owl

barium ion
type: Class
subclass of: elemental barium
has_related_synonym: Ba
id: CHEBI:39126
has_exact_synonym: barium ion
has_related_synonym: barium ions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

magnesium cation
type: Class
subclass of: alkaline earth cation
subclass of: magnesium ion
definition: Any magnesium ion that is positively charged.
id: CHEBI:39127
has_related_synonym: Mg
has_obo_namespace: chebi_ontology
has_exact_synonym: magnesium cation
imported from: chebi.owl

magnesium ion
type: Class
subclass of: elemental magnesium
id: CHEBI:39128
has_related_synonym: Mg
has_obo_namespace: chebi_ontology
has_exact_synonym: magnesium ion
has_related_synonym: magnesium ions
imported from: chebi.owl

strontium cation
type: Class
subclass of: alkaline earth cation
subclass of: strontium ion
id: CHEBI:39129
has_related_synonym: Sr
has_related_synonym: Sr cation
has_obo_namespace: chebi_ontology
has_exact_synonym: strontium cation
has_related_synonym: strontium cations
imported from: chebi.owl

strontium ion
type: Class
subclass of: elemental strontium
id: CHEBI:39130
has_related_synonym: Sr
has_obo_namespace: chebi_ontology
has_exact_synonym: strontium ion
has_related_synonym: strontium ions
imported from: chebi.owl

elemental strontium
type: Class
subclass of: strontium molecular entity
id: CHEBI:39131
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Bronsted acid
type: Class
subclass of: donor
subclass of: acid
definition: A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
has_exact_synonym: Bronsted acid
has_related_synonym: Bronsted-Saeure
id: CHEBI:39141
has_related_synonym: acide de Bronsted
has_obo_namespace: chebi_ontology
has_related_synonym: donneur d'hydron
has_related_synonym: hydron donor
imported from: chebi.owl

Bronsted base
type: Class
subclass of: acceptor
subclass of: base
definition: A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
has_exact_synonym: Bronsted base
has_related_synonym: Bronsted-Base
id: CHEBI:39142
has_related_synonym: accepteur d'hydron
has_related_synonym: base de Bronsted
has_obo_namespace: chebi_ontology
has_related_synonym: hydron acceptor
imported from: chebi.owl

Lewis base
type: Class
subclass of: donor
subclass of: base
definition: A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct.
id: CHEBI:39144
has_exact_synonym: Lewis base
has_related_synonym: Lewis-Base
has_related_synonym: base de Lewis
has_obo_namespace: chebi_ontology
has_related_synonym: donneur d'une paire d'electrons
has_related_synonym: electron donor
imported from: chebi.owl

dibenzopyrrole
type: Class
subclass of: organic heterotricyclic compound
subclass of: organonitrogen heterocyclic compound
id: CHEBI:39205
has_obo_namespace: chebi_ontology
has_related_synonym: dibenzopyrroles
imported from: chebi.owl

alpha-farnesene
type: Class
subclass of: farnesene
has_related_synonym: 2,6,10-trimethyldodeca-2,6,9,11-tetraene
has_related_synonym: 204.35106
has_related_synonym: 3,7,11-trimethyl-1,3,6,10-dodecatetraene
has_exact_synonym: 3,7,11-trimethyldodeca-1,3,6,10-tetraene
definition: A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.
database_cross_reference: Beilstein:1702194
has_related_synonym: C15H24
database_cross_reference: CAS:502-61-4
id: CHEBI:39236
has_related_synonym: CXENHBSYCFFKJS-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3
has_related_synonym: [H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C
has_obo_namespace: chebi_ontology
imported from: chebi.owl

farnesene
type: Class
subclass of: sesquiterpene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
definition: A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene.
has_related_synonym: C15H24
id: CHEBI:39237
database_cross_reference: Wikipedia:Farnesene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

growth regulator
type: Class
subclass of: biological role
definition: Any chemical substance that inhibits the life-cycle of an organism.
id: CHEBI:39317
has_obo_namespace: chebi_ontology
has_related_synonym: growth regulators
imported from: chebi.owl

branched-chain saturated fatty acid
type: Class
subclass of: saturated fatty acid
subclass of: branched-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: branched-chain saturated fatty acid anion
definition: Any saturated fatty acid with a carbon side-chain or isopropyl termination.
id: CHEBI:39417
has_related_synonym: branched saturated fatty acid
has_related_synonym: branched saturated fatty acids
has_exact_synonym: branched-chain saturated fatty acid
has_related_synonym: branched-chain saturated fatty acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

straight-chain saturated fatty acid
type: Class
subclass of: saturated fatty acid
subclass of: straight-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: straight-chain saturated fatty acid anion
definition: Any saturated fatty acid lacking a side-chain.
id: CHEBI:39418
database_cross_reference: PMID:15644336
has_obo_namespace: chebi_ontology
has_exact_synonym: straight-chain saturated fatty acid
has_related_synonym: straight-chain saturated fatty acids
imported from: chebi.owl

furochromene
type: Class
subclass of: organic heterotricyclic compound
subclass of: oxacycle
id: CHEBI:39432
has_obo_namespace: chebi_ontology
has_related_synonym: furochromenes
imported from: chebi.owl

fluorescent probe
type: Class
subclass of: probe
definition: A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
id: CHEBI:39442
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pyrimidine ribonucleosides
type: Class
subclass of: ribonucleoside
subclass of: pyrimidine nucleoside
has_alternative_id: CHEBI:13784
has_alternative_id: CHEBI:26445
id: CHEBI:39446
has_alternative_id: CHEBI:7263
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pyrimidines
type: Class
subclass of: diazines
definition: Any compound having a pyrimidine as part of its structure.
has_alternative_id: CHEBI:13681
has_alternative_id: CHEBI:26448
id: CHEBI:39447
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polyazaalkane
type: Class
subclass of: azaalkane
subclass of: polyamine
definition: Any azaalkane in which two or more carbons in the chain are replaced by nitrogen.
id: CHEBI:39474
has_obo_namespace: chebi_ontology
has_related_synonym: polyazaalkanes
imported from: chebi.owl

dihydrogenphosphate
type: Class
subclass of: phosphate ion
subclass of: monovalent inorganic anion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hydrogenphosphate
subclass of: Restriction
  on property: is conjugate base of
  some values from: phosphoric acid
has_related_synonym: 96.98724
definition: A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated.
has_alternative_id: CHEBI:29137
has_alternative_id: CHEBI:39739
id: CHEBI:39745
has_related_synonym: DIHYDROGENPHOSPHATE ION
database_cross_reference: DrugBank:DB02831
database_cross_reference: Gmelin:1999
has_related_synonym: H2O4P
has_related_synonym: H2PO4(-)
has_related_synonym: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
has_related_synonym: NBIIXXVUZAFLBC-UHFFFAOYSA-M
database_cross_reference: PDBeChem:2HP
has_related_synonym: [H]OP([O-])(=O)O[H]
has_related_synonym: [PO2(OH)2](-)
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydrogen(tetraoxidophosphate)(1-)
has_exact_synonym: dihydrogenphosphate
has_exact_synonym: dihydrogentetraoxophosphate(1-)
has_exact_synonym: dihydrogentetraoxophosphate(V)
has_exact_synonym: dihydroxidodioxidophosphate(1-)
imported from: chebi.owl

cyclic ketone
type: Class
subclass of: ketone
id: CHEBI:3992
has_exact_synonym: Cyclic ketone
database_cross_reference: KEGG:C02019
has_obo_namespace: chebi_ontology
has_exact_synonym: cyclic ketones
imported from: chebi.owl

N,N,N-trimethylglycinium
type: Class
subclass of: quaternary ammonium ion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: glycine betaine
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 118.154
definition: A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl.
database_cross_reference: Beilstein:1758492
has_related_synonym: C5H12NO2
has_alternative_id: CHEBI:12531
has_alternative_id: CHEBI:41134
id: CHEBI:41139
database_cross_reference: DrugBank:DB04455
database_cross_reference: ECMDB:ECMDB04024
database_cross_reference: Gmelin:324712
has_related_synonym: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
has_related_synonym: KWIUHFFTVRNATP-UHFFFAOYSA-O
database_cross_reference: PDBeChem:BET
database_cross_reference: Reaxys:1758492
has_related_synonym: TRIMETHYL GLYCINE
has_related_synonym: [N+](C)(C)(C)CC(=O)O
has_exact_synonym: carboxy-N,N,N-trimethylmethanaminium
has_obo_namespace: chebi_ontology
imported from: chebi.owl

5-hydroxymethylfurfural
type: Class
subclass of: primary alcohol
subclass of: furans
subclass of: arenecarbaldehyde
subclass of: Restriction
  on property: has role
  some values from: Maillard reaction product
subclass of: Restriction
  on property: has role
  some values from: indicator
has_related_synonym: 126.11000
has_related_synonym: 2-Hydroxymethyl-5-furfural
has_related_synonym: 5-(Hydroxymethyl)-2-furancarbonal
has_related_synonym: 5-(Hydroxymethyl)-2-furancarboxaldehyde
has_related_synonym: 5-(Hydroxymethyl)-2-furfural
has_related_synonym: 5-(Hydroxymethyl)-2-furfuraldehyde
has_related_synonym: 5-(Hydroxymethyl)furan-2-aldehyde
has_related_synonym: 5-(Hydroxymethyl)furfural
has_related_synonym: 5-(Hydroxymethyl)furfurole
has_related_synonym: 5-(hydroxymethyl)-2-furaldehyde
has_exact_synonym: 5-(hydroxymethyl)furan-2-carbaldehyde
has_related_synonym: 5-HMF
has_related_synonym: 5-Hydroxymethyl-2-formylfuran
has_related_synonym: 5-Hydroxymethyl-2-furaldehyde
has_related_synonym: 5-Hydroxymethyl-2-furancarbaldehyde
has_related_synonym: 5-Hydroxymethyl-2-furfural
has_related_synonym: 5-Hydroxymethylfuraldehyde
has_related_synonym: 5-Hydroxymethylfuran-2-aldehyde
has_related_synonym: 5-Hydroxymethylfurfuraldehyde
has_related_synonym: 5-Oxymethylfurfurole
has_exact_synonym: 5-hydroxymethylfurfural
definition: A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.
database_cross_reference: Beilstein:110889
has_related_synonym: C6H6O3
database_cross_reference: CAS:67-47-0
has_alternative_id: CHEBI:2077
id: CHEBI:412516
has_alternative_id: CHEBI:42598
database_cross_reference: Gmelin:278693
database_cross_reference: HMDB:HMDB34355
has_related_synonym: HMF
has_related_synonym: Hydroxymethylfurfural
has_related_synonym: Hydroxymethylfurfuralaldehyde
has_related_synonym: Hydroxymethylfurfuraldehyde
has_related_synonym: Hydroxymethylfurfurole
has_related_synonym: InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
database_cross_reference: KEGG:C11101
database_cross_reference: KNApSAcK:C00029547
database_cross_reference: MetaCyc:CPD-11572
has_related_synonym: NOEGNKMFWQHSLB-UHFFFAOYSA-N
database_cross_reference: PDBeChem:FUX
database_cross_reference: PMID:1556177
database_cross_reference: PMID:20082406
database_cross_reference: PMID:20420424
database_cross_reference: PMID:21838257
database_cross_reference: PMID:22264628
database_cross_reference: PMID:22757699
database_cross_reference: PMID:23106038
database_cross_reference: PMID:24001819
database_cross_reference: PMID:24054253
database_cross_reference: PMID:24054256
database_cross_reference: PMID:24399510
database_cross_reference: PMID:24399607
database_cross_reference: PMID:24408726
database_cross_reference: PMID:24444020
database_cross_reference: PMID:24518321
database_cross_reference: PMID:2917974
database_cross_reference: PMID:6391997
database_cross_reference: Patent:GB591858
database_cross_reference: Patent:GB600871
database_cross_reference: Patent:US2929823
database_cross_reference: Patent:US2994645
database_cross_reference: Patent:US3066150
database_cross_reference: Patent:US3071599
database_cross_reference: Reaxys:110889
database_cross_reference: Wikipedia:Hydroxymethylfurfural
has_related_synonym: [H]C(=O)c1ccc(CO)o1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-galactopyranose
type: Class
subclass of: D-galactose
subclass of: galactopyranose
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 180.15590
definition: A galactopyranose having D-configuration.
database_cross_reference: Beilstein:1281605
has_related_synonym: C6H12O6
database_cross_reference: CAS:10257-28-0
database_cross_reference: CAS:59-23-4
id: CHEBI:4139
has_related_synonym: D-Galactose
has_exact_synonym: D-galactopyranose
has_related_synonym: D-galactose
database_cross_reference: Gmelin:83257
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
database_cross_reference: KEGG:C00124
database_cross_reference: KNApSAcK:C00019681
has_related_synonym: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
database_cross_reference: PMID:1378088
database_cross_reference: PMID:17336832
database_cross_reference: PMID:19913595
database_cross_reference: Reaxys:1281605
has_related_synonym: WQZGKKKJIJFFOK-SVZMEOIVSA-N
database_cross_reference: Wikipedia:Galactose
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carboxymethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
subclass of: Restriction
  on property: is substituent group from
  some values from: acetic acid
has_related_synonym: -CH2-COOH
has_related_synonym: 59.04402
has_related_synonym: C2H3O2
has_exact_synonym: CARBOXYMETHYL GROUP
has_alternative_id: CHEBI:23029
has_alternative_id: CHEBI:41396
id: CHEBI:41402
database_cross_reference: PDBeChem:CBM
has_related_synonym: aspartic acid side-chain
has_exact_synonym: carboxymethyl
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbonate
type: Class
subclass of: carbon oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: hydrogencarbonate
has_related_synonym: 60.00890
definition: A carbon oxoanion that has formula 60.00890.
has_related_synonym: BVKZGUZCCUSVTD-UHFFFAOYSA-L
database_cross_reference: Beilstein:3600898
has_related_synonym: CARBONATE ION
database_cross_reference: CAS:3812-32-6
has_alternative_id: CHEBI:29201
has_alternative_id: CHEBI:41605
id: CHEBI:41609
has_related_synonym: CO3
has_related_synonym: CO3(2-)
database_cross_reference: Gmelin:1559
has_related_synonym: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
has_related_synonym: Karbonat
database_cross_reference: PDBeChem:CO3
has_related_synonym: [CO3](2-)
has_related_synonym: [O-]C([O-])=O
has_exact_synonym: carbonate
has_obo_namespace: chebi_ontology
has_exact_synonym: trioxidocarbonate(2-)
imported from: chebi.owl

D-glucopyranose
type: Class
subclass of: D-glucose
subclass of: glucopyranose
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 180.15588
definition: A glucopyranose having D-configuration.
database_cross_reference: Beilstein:1281604
has_related_synonym: C6H12O6
database_cross_reference: CAS:2280-44-6
id: CHEBI:4167
has_related_synonym: D-Glc
has_related_synonym: D-Glcp
has_related_synonym: D-Glucose
has_exact_synonym: D-glucopyranose
has_related_synonym: D-glucose
has_related_synonym: Dextrose
has_related_synonym: Glc-OH
has_related_synonym: Glucose
database_cross_reference: Gmelin:83256
has_related_synonym: Grape sugar
database_cross_reference: HMDB:HMDB00122
has_related_synonym: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
database_cross_reference: KEGG:C00031
database_cross_reference: KEGG:D00009
database_cross_reference: KNApSAcK:C00001122
database_cross_reference: MetaCyc:D-Glucose
has_related_synonym: OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
database_cross_reference: PMID:15987845
database_cross_reference: PMID:16901854
database_cross_reference: PMID:17336832
database_cross_reference: PMID:17439666
database_cross_reference: PMID:17928662
database_cross_reference: PMID:19913595
database_cross_reference: PMID:26812026
database_cross_reference: PMID:7524207
database_cross_reference: PMID:9140037
database_cross_reference: PMID:9501190
database_cross_reference: PMID:9506998
database_cross_reference: PMID:9545565
database_cross_reference: Reaxys:1281604
has_related_synonym: WQZGKKKJIJFFOK-GASJEMHNSA-N
database_cross_reference: Wikipedia:Glucose
has_obo_namespace: chebi_ontology
has_related_synonym: glucose
imported from: chebi.owl

decane
type: Class
subclass of: alkane
has_related_synonym: 142.28168
definition: A straight-chain alkane with 10 carbon atoms.
database_cross_reference: Beilstein:1696981
has_related_synonym: C10H22
database_cross_reference: CAS:124-18-5
has_related_synonym: CCCCCCCCCC
has_related_synonym: CH3-[CH2]8-CH3
has_alternative_id: CHEBI:32894
has_alternative_id: CHEBI:41801
id: CHEBI:41808
has_exact_synonym: DECANE
has_related_synonym: DIOQZVSQGTUSAI-UHFFFAOYSA-N
has_related_synonym: Dekan
database_cross_reference: DrugBank:DB02826
database_cross_reference: Gmelin:67816
database_cross_reference: HMDB:HMDB31450
has_related_synonym: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
database_cross_reference: LIPID_MAPS_instance:LMFA11000568
database_cross_reference: MetaCyc:CPD-9287
database_cross_reference: PDBeChem:D10
database_cross_reference: PMID:11762597
database_cross_reference: Reaxys:1696981
database_cross_reference: Wikipedia:Decane
has_obo_namespace: chebi_ontology
has_exact_synonym: decane
has_related_synonym: n-Dekan
has_related_synonym: n-decane
imported from: chebi.owl

D-hexose
type: Class
subclass of: hexose
definition: A hexose that has D-configuration at position 5.
has_related_synonym: C6H12O6
id: CHEBI:4194
has_exact_synonym: D-Hexose
has_exact_synonym: D-hexopyranose
has_exact_synonym: D-hexose
has_related_synonym: D-hexoses
database_cross_reference: KEGG:C00738
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(R)-lactic acid
type: Class
subclass of: 2-hydroxypropanoic acid
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (S)-lactic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: (R)-lactate
has_related_synonym: (-)-lactic acid
has_exact_synonym: (2R)-2-hydroxypropanoic acid
has_related_synonym: (R)-(-)-lactic acid
has_related_synonym: 90.07794
definition: An optically active form of lactic acid having (R)-configuration.
database_cross_reference: Beilstein:1720252
has_related_synonym: C3H6O3
database_cross_reference: CAS:10326-41-7
has_alternative_id: CHEBI:341
has_alternative_id: CHEBI:42105
id: CHEBI:42111
has_alternative_id: CHEBI:43701
has_related_synonym: C[C@@H](O)C(O)=O
has_related_synonym: D-2-Hydroxypropanoic acid
has_related_synonym: D-2-Hydroxypropionic acid
has_related_synonym: D-Lactic acid
has_related_synonym: D-Milchsaeure
has_related_synonym: D-lactic acid
database_cross_reference: DrugBank:DB03066
database_cross_reference: DrugBank:DB04398
database_cross_reference: Gmelin:362718
database_cross_reference: HMDB:HMDB01311
has_related_synonym: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
has_related_synonym: JVTAAEKCZFNVCJ-UWTATZPHSA-N
database_cross_reference: KEGG:C00256
database_cross_reference: KNApSAcK:C00019549
has_related_synonym: LACTIC ACID
database_cross_reference: PDBeChem:LAC
database_cross_reference: PMID:21842515
database_cross_reference: PMID:22127808
database_cross_reference: PMID:22277286
database_cross_reference: PMID:22344644
database_cross_reference: Reaxys:1720252
database_cross_reference: Wikipedia:Lactic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(S)-lactic acid
type: Class
subclass of: 2-hydroxypropanoic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: (S)-lactate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Escherichia coli metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (R)-lactic acid
has_related_synonym: (+)-lactic acid
has_exact_synonym: (2S)-2-hydroxypropanoic acid
has_related_synonym: (S)-(+)-lactic acid
has_related_synonym: (S)-2-hydroxypropanoic acid
has_related_synonym: (S)-2-hydroxypropionic acid
has_related_synonym: 90.07794
definition: An optically active form of lactic acid having (S)-configuration.
database_cross_reference: Beilstein:1720251
has_related_synonym: C3H6O3
database_cross_reference: CAS:79-33-4
id: CHEBI:422
has_related_synonym: C[C@H](O)C(O)=O
database_cross_reference: Gmelin:362717
database_cross_reference: HMDB:HMDB00190
has_related_synonym: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
has_related_synonym: JVTAAEKCZFNVCJ-REOHCLBHSA-N
database_cross_reference: KEGG:C00186
database_cross_reference: KNApSAcK:C00001191
has_related_synonym: L-(+)-alpha-hydroxypropionic acid
has_related_synonym: L-(+)-lactic acid
has_related_synonym: L-Lactic acid
has_related_synonym: L-Milchsaeure
database_cross_reference: PMID:21996028
database_cross_reference: PMID:22336740
database_cross_reference: PMID:22367529
database_cross_reference: PMID:22424924
database_cross_reference: PMID:22443585
database_cross_reference: PMID:22461545
database_cross_reference: PMID:22534372
database_cross_reference: PMID:22538963
database_cross_reference: PMID:22578598
database_cross_reference: Reaxys:1720251
database_cross_reference: Wikipedia:Lactic_Acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

emodin
type: Class
subclass of: trihydroxyanthraquinone
subclass of: Restriction
  on property: has role
  some values from: laxative
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: emodin(1-)
subclass of: Restriction
  on property: has role
  some values from: tyrosine kinase inhibitor
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: 1,3,8-trihydroxy-6-methyl-9,10-anthracenedione
has_related_synonym: 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone
has_exact_synonym: 1,3,8-trihydroxy-6-methylanthra-9,10-quinone
has_related_synonym: 270.23690
has_related_synonym: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
definition: A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.
database_cross_reference: Beilstein:1888141
has_related_synonym: C15H10O5
database_cross_reference: CAS:518-82-1
has_alternative_id: CHEBI:42221
id: CHEBI:42223
has_alternative_id: CHEBI:4782
has_related_synonym: Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
database_cross_reference: DrugBank:DB07715
has_exact_synonym: Emodin
has_related_synonym: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
database_cross_reference: KEGG:C10343
database_cross_reference: KNApSAcK:C00000555
database_cross_reference: LINCS:LSM-18994
database_cross_reference: LIPID_MAPS_instance:LMPK13040008
database_cross_reference: PDBeChem:EMO
database_cross_reference: PMID:12563347
database_cross_reference: PMID:12657721
database_cross_reference: PMID:16077936
database_cross_reference: PMID:16388516
database_cross_reference: PMID:16959273
database_cross_reference: PMID:17019678
database_cross_reference: PMID:17022020
database_cross_reference: PMID:17340270
database_cross_reference: PMID:18193729
database_cross_reference: PMID:18387517
database_cross_reference: PMID:18473931
database_cross_reference: PMID:19089830
database_cross_reference: PMID:19409890
database_cross_reference: PMID:19505457
database_cross_reference: PMID:19799875
database_cross_reference: PMID:19921750
database_cross_reference: PMID:20139316
database_cross_reference: PMID:21834668
database_cross_reference: PMID:22020806
database_cross_reference: PMID:22137788
database_cross_reference: PMID:22144110
database_cross_reference: PMID:22271272
database_cross_reference: PMID:22378302
database_cross_reference: PMID:22426603
database_cross_reference: PMID:22452333
database_cross_reference: PMID:22484343
has_related_synonym: RHMXXJGYXNZAPX-UHFFFAOYSA-N
database_cross_reference: Reaxys:1888141
has_related_synonym: Schuttgelb
database_cross_reference: Wikipedia:Emodin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(-)-epigallocatechin
type: Class
subclass of: catechin
subclass of: flavan-3,3',4',5,5',7-hexol
subclass of: Restriction
  on property: has role
  some values from: food component
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-epigallocatechin
has_related_synonym: (-)-3,3',4',5,5',7-Flavanhexol
has_exact_synonym: (-)-Epigallocatechin
has_exact_synonym: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: 2,3-cis-epigallocatechin
has_related_synonym: 306.26746
definition: A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.
database_cross_reference: Beilstein:3655868
has_related_synonym: C15H14O7
database_cross_reference: CAS:970-74-1
has_alternative_id: CHEBI:31029
has_alternative_id: CHEBI:42251
id: CHEBI:42255
has_related_synonym: Epigallocatechol
database_cross_reference: HMDB:HMDB38361
has_related_synonym: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
database_cross_reference: KEGG:C12136
database_cross_reference: KNApSAcK:C00008818
has_related_synonym: L-Epigallocatechin
database_cross_reference: LINCS:LSM-20967
database_cross_reference: LIPID_MAPS_instance:LMPK12020004
database_cross_reference: MetaCyc:CPD-10411
database_cross_reference: PDBeChem:EGT
database_cross_reference: PMID:10775337
database_cross_reference: PMID:19653629
database_cross_reference: PMID:19937856
database_cross_reference: Reaxys:94057
has_related_synonym: XMOCLSLCDHWDHP-IUODEOHRSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tricosanoic acid
type: Class
subclass of: very long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: tricosanoate
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 354.61010
definition: A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid.
database_cross_reference: Beilstein:1795192
has_related_synonym: C23H46O2
database_cross_reference: CAS:2433-96-7
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCC(O)=O
has_alternative_id: CHEBI:39419
has_alternative_id: CHEBI:42392
id: CHEBI:42394
database_cross_reference: DrugBank:DB03500
database_cross_reference: HMDB:HMDB01160
database_cross_reference: LIPID_MAPS_instance:LMFA01010023
database_cross_reference: MetaCyc:CPD-7834
database_cross_reference: PDBeChem:F23
database_cross_reference: PMID:20117838
database_cross_reference: Reaxys:1795192
has_related_synonym: XEZVDURJDFGERA-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: n-tricosanoic acid
has_exact_synonym: tricosanoic acid
imported from: chebi.owl

formyl group
type: Class
subclass of: univalent carboacyl group
subclass of: Restriction
  on property: is substituent group from
  some values from: formic acid
has_related_synonym: -CH(O)
has_related_synonym: -CHO
has_related_synonym: 29.01804
has_alternative_id: CHEBI:24089
has_alternative_id: CHEBI:42480
id: CHEBI:42485
has_related_synonym: CHO
has_exact_synonym: FORMYL GROUP
has_related_synonym: Fo
has_related_synonym: H-CO-
database_cross_reference: PDBeChem:FOR
has_exact_synonym: aldehyde group
has_exact_synonym: carbaldehyde
has_obo_namespace: chebi_ontology
has_exact_synonym: formyl
has_related_synonym: methanoyl
imported from: chebi.owl

flavone
type: Class
subclass of: flavones
subclass of: Restriction
  on property: has role
  some values from: nematicide
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 2-PHENYL-4H-CHROMEN-4-ONE
has_related_synonym: 2-Phenyl-4-benzopyron
has_related_synonym: 2-Phenyl-4-chromone
has_related_synonym: 2-Phenylbenzopyran-4-one
has_related_synonym: 2-phenyl-4H-1-benzopyran-4-one
has_related_synonym: 2-phenyl-4H-benzopyran-4-one
has_exact_synonym: 2-phenyl-4H-chromen-4-one
has_related_synonym: 2-phenyl-gamma-benzopyrone
has_related_synonym: 2-phenylchromone
has_related_synonym: 222.23870
database_cross_reference: Beilstein:157598
has_related_synonym: C15H10O2
database_cross_reference: CAS:525-82-6
has_alternative_id: CHEBI:42486
id: CHEBI:42491
has_alternative_id: CHEBI:5076
database_cross_reference: DrugBank:DB07776
has_related_synonym: Flavon
has_exact_synonym: Flavone
database_cross_reference: Gmelin:1224858
database_cross_reference: HMDB:HMDB03075
has_related_synonym: InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
database_cross_reference: KEGG:C10043
database_cross_reference: KEGG:C15608
database_cross_reference: KNApSAcK:C00001040
database_cross_reference: LIPID_MAPS_instance:LMPK12110097
database_cross_reference: MetaCyc:CPD-8485
has_related_synonym: O=c1cc(oc2ccccc12)-c1ccccc1
database_cross_reference: PDBeChem:FLN
database_cross_reference: PMID:11370674
database_cross_reference: PMID:12063116
database_cross_reference: PMID:17347140
database_cross_reference: PMID:18596412
database_cross_reference: Reaxys:157598
definition: The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2.
has_related_synonym: VHBFFQKBGNRLFZ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pentadecanoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: pentadecanoate
subclass of: Restriction
  on property: has role
  some values from: human blood serum metabolite
subclass of: Restriction
  on property: has role
  some values from: food component
has_related_synonym: 15:00
has_related_synonym: 242.39750
definition: A straight-chain, fifteen-carbon carboxylic acid with no heteroatoms; a long-chain of mainly ruminant origin.
database_cross_reference: Beilstein:1773831
has_related_synonym: C15
has_related_synonym: C15:0
has_related_synonym: C15H30O2
database_cross_reference: CAS:1002-84-2
has_related_synonym: CCCCCCCCCCCCCCC(O)=O
has_alternative_id: CHEBI:39108
has_alternative_id: CHEBI:42502
id: CHEBI:42504
database_cross_reference: HMDB:HMDB00826
has_related_synonym: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
database_cross_reference: KEGG:C16537
database_cross_reference: KNApSAcK:C00007423
database_cross_reference: LIPID_MAPS_instance:LMFA01010015
database_cross_reference: PDBeChem:F15
has_exact_synonym: PENTADECANOIC ACID
database_cross_reference: PMID:23442377
database_cross_reference: PMID:24930002
has_related_synonym: Pentadecylic acid
database_cross_reference: Reaxys:1773831
has_related_synonym: WQEPLUUGTLDZJY-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Pentadecanoic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: n-Pentadecanoic acid
has_related_synonym: n-pentadecanoic acid
has_exact_synonym: pentadecanoic acid
has_related_synonym: pentadecylic acid
imported from: chebi.owl

propylbenzene
type: Class
subclass of: alkylbenzene
has_related_synonym: 1-Phenylpropane
has_related_synonym: 1-Propylbenzene
has_related_synonym: 120.19160
definition: An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.
has_related_synonym: C9H12
database_cross_reference: CAS:103-65-1
has_related_synonym: CCCc1ccccc1
id: CHEBI:42630
database_cross_reference: HMDB:HMDB59877
has_related_synonym: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
has_related_synonym: Isocumene
has_related_synonym: ODLMAHJVESYWTB-UHFFFAOYSA-N
database_cross_reference: PMID:23423853
database_cross_reference: PMID:24636564
has_related_synonym: Phenylpropane
database_cross_reference: Reaxys:1903006
has_obo_namespace: chebi_ontology
has_related_synonym: n-Propylbenzene
has_exact_synonym: propylbenzene
imported from: chebi.owl

gamma-butyrolactone
type: Class
subclass of: butan-4-olide
subclass of: Restriction
  on property: has role
  some values from: neurotoxin
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 1,2-butanolide
has_related_synonym: 1,4-Butanolide
has_related_synonym: 1,4-Lactone
has_related_synonym: 4-Butyrolactone
has_related_synonym: 4-Deoxytetronic acid
has_related_synonym: 4-Hydroxybutyric acid lactone
has_related_synonym: 86.08920
definition: A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.
has_related_synonym: Butyrolactone
has_related_synonym: C4H6O2
database_cross_reference: CAS:96-48-0
has_alternative_id: CHEBI:18871
has_alternative_id: CHEBI:42636
id: CHEBI:42639
database_cross_reference: DrugBank:DB04699
has_exact_synonym: GAMMA-BUTYROLACTONE
database_cross_reference: HMDB:HMDB00549
has_related_synonym: InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
database_cross_reference: KEGG:C01770
has_related_synonym: O=C1CCCO1
database_cross_reference: PDBeChem:GBL
database_cross_reference: PMID:12429914
database_cross_reference: PMID:23245230
database_cross_reference: PMID:24500753
database_cross_reference: Reaxys:105248
database_cross_reference: UM-BBD_compID:c0033
database_cross_reference: Wikipedia:Gamma-Butyrolactone
has_related_synonym: YEJRWHAVMIAJKC-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: dihydro-2(3H)-furanone
has_exact_synonym: dihydrofuran-2(3H)-one
has_related_synonym: gamma-butanolactone
has_exact_synonym: gamma-butyrolactone
has_related_synonym: gamma-hydroxybutyric acid lactone
has_related_synonym: gamma-hydroxybutyrolactone
has_related_synonym: tetrahydrofuran-2-one
imported from: chebi.owl

hydroxy group
type: Class
subclass of: inorganic group
has_related_synonym: -OH
has_related_synonym: 17.00734
has_alternative_id: CHEBI:24706
has_alternative_id: CHEBI:43171
id: CHEBI:43176
has_related_synonym: HO
has_exact_synonym: HYDROXY GROUP
database_cross_reference: PDBeChem:HYD
has_obo_namespace: chebi_ontology
has_exact_synonym: hydroxy
has_exact_synonym: hydroxy group
has_related_synonym: hydroxyl
has_related_synonym: hydroxyl group
has_exact_synonym: oxidanyl
imported from: chebi.owl

(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
type: Class
subclass of: pyrimidone
subclass of: Restriction
  on property: is tautomer of
  some values from: uracil
has_exact_synonym: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
has_related_synonym: 114.10272
has_related_synonym: 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE
definition: A pyrimidone that has formula C4H6N2O2.
has_related_synonym: C4H6N2O2
id: CHEBI:43254
has_related_synonym: DEAAWXYGBWCVJW-VKHMYHEASA-N
has_related_synonym: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1
database_cross_reference: PDBeChem:HPY
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hydrogenphosphate
type: Class
subclass of: phosphate ion
subclass of: divalent inorganic anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: dihydrogenphosphate
subclass of: Restriction
  on property: is conjugate acid of
  some values from: phosphate(3-)
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 95.97930
definition: A phosphate ion that is the conjugate base of dihydrogenphosphate.
has_alternative_id: CHEBI:29139
has_alternative_id: CHEBI:43470
id: CHEBI:43474
database_cross_reference: Gmelin:1998
has_related_synonym: HO4P
has_related_synonym: HPO4(2-)
has_related_synonym: HYDROGENPHOSPHATE ION
has_related_synonym: INORGANIC PHOSPHATE GROUP
has_related_synonym: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
database_cross_reference: MolBase:1628
has_related_synonym: NBIIXXVUZAFLBC-UHFFFAOYSA-L
has_related_synonym: OP([O-])([O-])=O
database_cross_reference: PDBeChem:IPS
database_cross_reference: PDBeChem:PI
has_related_synonym: [P(OH)O3](2-)
has_related_synonym: [PO3(OH)](2-)
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen phosphate
has_exact_synonym: hydrogen(tetraoxidophosphate)(2-)
has_exact_synonym: hydrogenphosphate
has_exact_synonym: hydrogentetraoxophosphate(2-)
has_exact_synonym: hydrogentetraoxophosphate(V)
has_exact_synonym: hydroxidotrioxidophosphate(2-)
has_related_synonym: phosphate
imported from: chebi.owl

kojic acid
type: Class
subclass of: 4-pyranones
subclass of: primary alcohol
subclass of: enol
subclass of: Restriction
  on property: has role
  some values from: EC 1.10.3.1 (catechol oxidase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: Aspergillus metabolite
subclass of: Restriction
  on property: has role
  some values from: EC 1.4.3.3 (D-amino-acid oxidase) inhibitor
subclass of: Restriction
  on property: has parent hydride
  some values from: 4H-pyran
subclass of: Restriction
  on property: has role
  some values from: EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 1.10.3.2 (laccase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: NF-kappaB inhibitor
subclass of: Restriction
  on property: has role
  some values from: EC 1.14.18.1 (tyrosinase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: skin lightening agent
has_related_synonym: 142.10940
has_related_synonym: 5-Hydroxy-2-(hydroxymethyl)-4-pyrone
has_exact_synonym: 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
has_related_synonym: 5-hydroxy-2-hydroxymethyl-4-pyrone
definition: A pyranone that is 4H-pyran substituted by a hydroxy group at position 5, a hydroxymethyl group at position 2 and an oxo group at position 4. It has been isolated from the fungus Aspergillus oryzae.
has_related_synonym: BEJNERDRQOWKJM-UHFFFAOYSA-N
database_cross_reference: Beilstein:120895
has_related_synonym: C6H6O4
database_cross_reference: CAS:501-30-4
has_alternative_id: CHEBI:34805
has_alternative_id: CHEBI:43568
id: CHEBI:43572
database_cross_reference: DrugBank:DB01759
database_cross_reference: Gmelin:3620
database_cross_reference: HMDB:HMDB32923
has_related_synonym: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
database_cross_reference: KEGG:C14516
has_exact_synonym: Kojic acid
has_related_synonym: Kojisaeure
database_cross_reference: MetaCyc:KOJIC-ACID
has_related_synonym: OCc1cc(=O)c(O)co1
database_cross_reference: PDBeChem:KOJ
database_cross_reference: PMID:11534762
database_cross_reference: PMID:1348188
database_cross_reference: PMID:15039076
database_cross_reference: PMID:16198580
database_cross_reference: PMID:18083129
database_cross_reference: PMID:19471877
database_cross_reference: PMID:20943172
database_cross_reference: PMID:23683589
database_cross_reference: PMID:24116376
database_cross_reference: PMID:7714722
database_cross_reference: PMID:8987542
database_cross_reference: Patent:AU2012268879
database_cross_reference: Patent:JP2013017408
database_cross_reference: Reaxys:120895
database_cross_reference: Wikipedia:Kojic_acid
has_related_synonym: acido kojico
has_obo_namespace: chebi_ontology
imported from: chebi.owl

icosane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 282.54748
definition: A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata.
database_cross_reference: Beilstein:1700722
has_related_synonym: C20H42
database_cross_reference: CAS:112-95-8
has_related_synonym: CBFCDTFDPHXCNY-UHFFFAOYSA-N
has_related_synonym: CCCCCCCCCCCCCCCCCCCC
has_related_synonym: CH3-[CH2]18-CH3
has_alternative_id: CHEBI:32929
has_alternative_id: CHEBI:43618
id: CHEBI:43619
has_related_synonym: EICOSANE
database_cross_reference: HMDB:HMDB59909
database_cross_reference: PDBeChem:LFA
database_cross_reference: PMID:23459067
database_cross_reference: PMID:23880873
database_cross_reference: PMID:23899195
database_cross_reference: Reaxys:1700722
database_cross_reference: Wikipedia:Icosane
has_obo_namespace: chebi_ontology
has_related_synonym: eicosane
has_exact_synonym: icosane
has_related_synonym: n-eicosane
has_related_synonym: octyldodecane
imported from: chebi.owl

Delcosine
type: Class
subclass of: diterpenoid
has_related_synonym: 453.570
definition: A diterpenoid that has formula C24H39NO7.
has_related_synonym: BMZNJVXOLCBDPZ-AXCJZLSHSA-N
has_related_synonym: C24H39NO7
database_cross_reference: CAS:545-56-2
id: CHEBI:4381
has_exact_synonym: Delcosine
has_related_synonym: InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22-,23+,24-/m1/s1
database_cross_reference: KEGG:C08676
database_cross_reference: KNApSAcK:C00001632
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Delphinine
type: Class
subclass of: diterpenoid
has_related_synonym: 599.713
definition: A diterpenoid that has formula C33H45NO9.
has_related_synonym: C33H45NO9
database_cross_reference: CAS:561-07-9
id: CHEBI:4384
has_exact_synonym: Delphinine
has_related_synonym: InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1
database_cross_reference: KEGG:C08677
database_cross_reference: KNApSAcK:C00001633
has_related_synonym: REVYTWNGZDPRKE-UWZYQZSNSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Denudatin B
type: Class
subclass of: benzofurans
has_related_synonym: 356.413
definition: A benzofuran that has formula C21H24O5.
has_related_synonym: C21H24O5
database_cross_reference: CAS:87402-88-8
id: CHEBI:4401
has_exact_synonym: Denudatin B
has_related_synonym: InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21-/m1/s1
database_cross_reference: KEGG:C10554
database_cross_reference: KNApSAcK:C00000671
has_related_synonym: VDYACOATPFOZIO-HBUDHLSFSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

duvoglustat
type: Class
subclass of: 2-(hydroxymethyl)piperidine-3,4,5-triol
subclass of: Restriction
  on property: has role
  some values from: bacterial metabolite
subclass of: Restriction
  on property: has role
  some values from: hepatoprotective agent
subclass of: Restriction
  on property: has role
  some values from: anti-HIV agent
subclass of: Restriction
  on property: has role
  some values from: hypoglycemic agent
subclass of: Restriction
  on property: has role
  some values from: anti-obesity agent
subclass of: Restriction
  on property: has role
  some values from: EC 3.2.1.20 (alpha-glucosidase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
has_related_synonym: 1,5-Deoxy-1,5-imino-D-mannitol
has_related_synonym: 1,5-Dideoxy-1,5-imino-D-glucitol
has_related_synonym: 1,5-deoxy-1,5-imino-D-mannitol
has_related_synonym: 1,5-dideoxy-1,5-imino-D-glucitol
has_related_synonym: 1-DEOXYNOJIRIMYCIN
has_related_synonym: 1-Deoxymannojirimycin
has_related_synonym: 1-Deoxynojirimycin
has_related_synonym: 163.17170
has_related_synonym: 5-amino-1,5-dideoxy-D-glucopyranose
definition: An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.
has_related_synonym: BAY-H-5595
has_related_synonym: C6H13NO4
database_cross_reference: CAS:19130-96-2
has_alternative_id: CHEBI:132398
id: CHEBI:44369
has_alternative_id: CHEBI:76525
has_related_synonym: D-1-deoxynojirimycin
has_related_synonym: DNJ
database_cross_reference: DrugBank:DB03206
database_cross_reference: HMDB:HMDB35359
has_related_synonym: InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
database_cross_reference: KEGG:C16843
database_cross_reference: KEGG:D09605
database_cross_reference: KNApSAcK:C00029420
has_related_synonym: LXBIFEVIBLOUGU-JGWLITMVSA-N
database_cross_reference: MetaCyc:1-DEOXYNOJIRIMYCIN
has_related_synonym: Moranolin
has_related_synonym: Moranoline
has_related_synonym: OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
database_cross_reference: PDBeChem:NOJ
database_cross_reference: PMID:23265519
database_cross_reference: PMID:23391926
database_cross_reference: PMID:23536174
database_cross_reference: PMID:23561072
database_cross_reference: PMID:23570294
database_cross_reference: PMID:23648852
database_cross_reference: PMID:23755289
database_cross_reference: PMID:23909841
database_cross_reference: PMID:24050301
database_cross_reference: PMID:26292150
database_cross_reference: PMID:26867190
database_cross_reference: PMID:26927057
database_cross_reference: PMID:27160849
database_cross_reference: PMID:27294120
database_cross_reference: Reaxys:1524395
database_cross_reference: Wikipedia:1-Deoxynojirimycin
has_obo_namespace: chebi_ontology
has_related_synonym: duvoglustat
imported from: chebi.owl

hexadecane
type: Class
subclass of: long-chain alkane
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: non-polar solvent
has_related_synonym: 226.442
definition: A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.
database_cross_reference: Beilstein:1736592
has_related_synonym: C(CCCCCCCCCC)CCCCC
has_related_synonym: C16H34
database_cross_reference: CAS:544-76-3
has_related_synonym: CH3-[CH2]14-CH3
has_alternative_id: CHEBI:32910
has_alternative_id: CHEBI:45292
id: CHEBI:45296
has_related_synonym: Cetan
has_related_synonym: DCAYPVUWAIABOU-UHFFFAOYSA-N
database_cross_reference: Gmelin:103739
has_exact_synonym: HEXADECANE
database_cross_reference: HMDB:HMDB33792
has_related_synonym: Hexadekan
has_related_synonym: InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
database_cross_reference: PDBeChem:R16
database_cross_reference: PMID:17314143
database_cross_reference: PMID:19114507
database_cross_reference: PMID:205235
database_cross_reference: PMID:24657864
database_cross_reference: PMID:24765642
database_cross_reference: PMID:2480087
database_cross_reference: PMID:27439360
database_cross_reference: Reaxys:1736592
database_cross_reference: Wikipedia:Hexadecane
has_related_synonym: Zetan
has_related_synonym: cetane
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadecane
has_related_synonym: n-cetane
has_related_synonym: n-hexadecane
imported from: chebi.owl

sec-butyl group
type: Class
subclass of: alkyl group
subclass of: proteinogenic amino-acid side-chain group
subclass of: Restriction
  on property: is substituent group from
  some values from: butane
has_related_synonym: -CH(CH3)-CH2-CH3
has_exact_synonym: 1-methylpropyl
has_related_synonym: 57.11426
has_related_synonym: C4H9
has_related_synonym: CH3-CH2-CH(CH3)-
has_alternative_id: CHEBI:30352
has_alternative_id: CHEBI:45554
id: CHEBI:45557
database_cross_reference: PDBeChem:SBU
has_exact_synonym: SEC-BUTYL GROUP
has_related_synonym: but-2-yl
has_exact_synonym: butan-2-ido
has_exact_synonym: butan-2-yl
has_obo_namespace: chebi_ontology
has_related_synonym: isoleucine side-chain
has_related_synonym: s-butyl
has_exact_synonym: sec-butyl
imported from: chebi.owl

heptanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: heptanoate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 130.18486
definition: A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.
database_cross_reference: Beilstein:1744723
has_related_synonym: C7H14O2
database_cross_reference: CAS:111-14-8
has_related_synonym: CCCCCCC(O)=O
has_related_synonym: CH3-[CH2]5-COOH
has_alternative_id: CHEBI:24519
has_alternative_id: CHEBI:45568
id: CHEBI:45571
database_cross_reference: DrugBank:DB02938
database_cross_reference: Gmelin:142428
has_exact_synonym: HEPTANOIC ACID
database_cross_reference: HMDB:HMDB00666
has_related_synonym: Heptansaeure
has_related_synonym: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
database_cross_reference: KEGG:C17714
database_cross_reference: LIPID_MAPS_instance:LMFA01010007
has_related_synonym: MNWFXJYAOYHMED-UHFFFAOYSA-N
database_cross_reference: MetaCyc:CPD-7619
has_related_synonym: Oenanthsaeure
database_cross_reference: PDBeChem:SHV
database_cross_reference: PMID:23999410
database_cross_reference: Reaxys:1744723
database_cross_reference: Wikipedia:Heptanoic_acid
has_obo_namespace: chebi_ontology
has_related_synonym: enanthic acid
has_related_synonym: enanthylic acid
has_exact_synonym: heptanoic acid
has_related_synonym: heptoic acid
has_related_synonym: heptylic acid
has_related_synonym: n-heptanoic acid
has_related_synonym: n-heptoic acid
has_related_synonym: n-heptylic acid
has_related_synonym: oenanthic acid
has_related_synonym: oenanthylic acid
imported from: chebi.owl

ADP(3-)
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: ADP
subclass of: Restriction
  on property: is conjugate base of
  some values from: ADP(2-)
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 424.17730
has_related_synonym: 5'-O-[(phosphonatooxy)phosphinato]adenosine
has_related_synonym: ADP
has_related_synonym: ADP trianion
definition: An organophosphate oxoanion that is the trianion of adenosine 5'-diphosphate arising from deprotonation of all three OH groups of the diphosphate; major species present at pH 7.3.
database_cross_reference: Beilstein:3783669
has_related_synonym: C10H12N5O10P2
id: CHEBI:456216
database_cross_reference: Gmelin:341336
has_related_synonym: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
has_related_synonym: XTWYTFMLZFPYCI-KQYNXXCUSA-K
has_exact_synonym: adenosine 5'-diphosphate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

undecane
type: Class
subclass of: alkane
has_related_synonym: 156.30826
definition: A straight-chain alkane with 11 carbon atoms.
database_cross_reference: Beilstein:1697099
has_related_synonym: C11H24
database_cross_reference: CAS:1120-21-4
has_related_synonym: CCCCCCCCCCC
has_related_synonym: CH3-[CH2]9-CH3
has_alternative_id: CHEBI:32899
has_alternative_id: CHEBI:46341
id: CHEBI:46342
database_cross_reference: Gmelin:142928
has_related_synonym: Hendekan
has_related_synonym: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
database_cross_reference: MetaCyc:CPD-9289
database_cross_reference: PDBeChem:UND
has_related_synonym: RSJKGSCJYJTIGS-UHFFFAOYSA-N
database_cross_reference: Reaxys:1697099
has_exact_synonym: UNDECANE
has_related_synonym: Undekan
database_cross_reference: Wikipedia:Undecane
has_obo_namespace: chebi_ontology
has_related_synonym: hendecane
has_related_synonym: n-undecane
has_exact_synonym: undecane
imported from: chebi.owl

oxo group
type: Class
subclass of: inorganic group
has_related_synonym: 15.99940
has_related_synonym: =O
has_alternative_id: CHEBI:29353
has_alternative_id: CHEBI:44607
id: CHEBI:46629
has_related_synonym: O
has_exact_synonym: OXO GROUP
database_cross_reference: PDBeChem:OXO
has_obo_namespace: chebi_ontology
has_exact_synonym: oxo
imported from: chebi.owl

azaalkane
type: Class
subclass of: organic amino compound
id: CHEBI:46686
has_related_synonym: azaalkanes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbonate ester
type: Class
subclass of: carbonates
subclass of: carboxylic ester
definition: Any carbonate that is carbonic acid in which the hydrogens have been replaced by organyl groups.
id: CHEBI:46722
database_cross_reference: Wikipedia:Carbonate_ester
has_exact_synonym: carbonate ester
has_obo_namespace: chebi_ontology
imported from: chebi.owl

solvent
type: Class
subclass of: application
subclass of: chemical role
definition: A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
id: CHEBI:46787
has_related_synonym: Loesungsmittel
database_cross_reference: Wikipedia:Solvent
has_obo_namespace: chebi_ontology
has_related_synonym: solvant
has_related_synonym: solvents
imported from: chebi.owl

carboxy group
type: Class
subclass of: organyl group
has_related_synonym: -C(O)OH
has_related_synonym: -CO2H
has_related_synonym: -COOH
has_related_synonym: 45.01744
has_exact_synonym: CARBOXY GROUP
has_alternative_id: CHEBI:23025
has_alternative_id: CHEBI:41420
id: CHEBI:46883
has_related_synonym: CHO2
database_cross_reference: PDBeChem:CBX
has_exact_synonym: carboxy
has_related_synonym: carboxyl group
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oxalate(1-)
type: Class
subclass of: oxalate
subclass of: dicarboxylic acid monoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: oxalic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: oxalate(2-)
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 89.02694
definition: A dicarboxylic acid monoanion that is the conjugate base of oxalic acid.
database_cross_reference: Beilstein:3601755
has_related_synonym: C2HO4
id: CHEBI:46904
database_cross_reference: Gmelin:49515
has_related_synonym: Hox
has_related_synonym: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1
has_related_synonym: MUBZPKHOEPUJKR-UHFFFAOYSA-M
has_related_synonym: OC(=O)C([O-])=O
has_exact_synonym: carboxyformate
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen ethanedioate
has_related_synonym: hydrogen oxalate
imported from: chebi.owl

anthracenes
type: Class
subclass of: carbotricyclic compound
subclass of: acenes
id: CHEBI:46955
definition: Compounds containing an anthracene skeleton.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-syringaresinol
type: Class
subclass of: syringaresinol
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-syringaresinol
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_exact_synonym: (+)-Syringaresinol
has_exact_synonym: (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol
has_related_synonym: 4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol)
has_related_synonym: 418.43700
has_related_synonym: C22H26O8
database_cross_reference: CAS:21453-69-0
id: CHEBI:47
has_related_synonym: InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
database_cross_reference: KEGG:C10889
database_cross_reference: KNApSAcK:C00002631
has_related_synonym: KOWMJRJXZMEZLD-HCIHMXRSSA-N
database_cross_reference: PMID:21500777
database_cross_reference: Reaxys:4585066
definition: The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetrahydrofuranone
type: Class
subclass of: oxolanes
definition: Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.
id: CHEBI:47016
database_cross_reference: PMID:6047194
has_obo_namespace: chebi_ontology
has_related_synonym: tetrahydrofuranones
imported from: chebi.owl

tetrahydrofuranol
type: Class
subclass of: oxolanes
id: CHEBI:47017
has_obo_namespace: chebi_ontology
has_related_synonym: tetrahydrofuranols
imported from: chebi.owl

dihydroxytetrahydrofuran
type: Class
subclass of: tetrahydrofuranol
id: CHEBI:47019
has_obo_namespace: chebi_ontology
has_related_synonym: dihydroxytetrahydrofurans
imported from: chebi.owl

acetate ester
type: Class
subclass of: carboxylic ester
subclass of: Restriction
  on property: has functional parent
  some values from: acetic acid
has_related_synonym: 59.04400
has_related_synonym: Acetic ester
has_related_synonym: Acetyl ester
definition: Any carboxylic ester where the carboxylic acid component is acetic acid.
has_related_synonym: C2H3O2R
has_related_synonym: CC(=O)O[*]
has_alternative_id: CHEBI:13244
has_alternative_id: CHEBI:13799
has_alternative_id: CHEBI:22189
has_alternative_id: CHEBI:2406
id: CHEBI:47622
database_cross_reference: KEGG:C01883
database_cross_reference: Wikipedia:Acetate#Esters
has_related_synonym: acetate
has_related_synonym: acetate esters
has_related_synonym: acetates
has_related_synonym: acetyl esters
has_related_synonym: an acetyl ester
has_obo_namespace: chebi_ontology
imported from: chebi.owl

16-oxo steroid
type: Class
subclass of: oxo steroid
has_related_synonym: 16-Oxosteroid
has_related_synonym: 16-oxo steroids
has_related_synonym: 16-oxosteroid
has_related_synonym: 16-oxosteroids
definition: Any oxo steroid carrying an oxo group at position 16.
has_alternative_id: CHEBI:13583
has_alternative_id: CHEBI:19161
id: CHEBI:47786
has_alternative_id: CHEBI:770
database_cross_reference: KEGG:C01986
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-oxo steroid
type: Class
subclass of: oxo steroid
has_related_synonym: 3-Oxosteroid
has_related_synonym: 3-oxo steroids
has_related_synonym: 3-oxosteroids
definition: Any oxo steroid where an oxo substituent is located at position 3.
has_alternative_id: CHEBI:13607
has_alternative_id: CHEBI:1653
has_alternative_id: CHEBI:20182
id: CHEBI:47788
has_alternative_id: CHEBI:71186
database_cross_reference: KEGG:C01876
has_related_synonym: a 3-oxosteroid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

furofuran
type: Class
subclass of: organic heterobicyclic compound
subclass of: oxacycle
id: CHEBI:47790
definition: Organic heterobicyclic compounds containing a two furan rings ortho-fused to each other.
has_obo_namespace: chebi_ontology
has_related_synonym: furofurans
imported from: chebi.owl

indicator
type: Class
subclass of: application
definition: Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.
id: CHEBI:47867
has_related_synonym: Indikator
has_obo_namespace: chebi_ontology
imported from: chebi.owl

photosensitizing agent
type: Class
subclass of: drug
definition: A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
id: CHEBI:47868
has_obo_namespace: chebi_ontology
has_related_synonym: photosensitising agent
imported from: chebi.owl

steroid ester
type: Class
subclass of: steroid
subclass of: ester
has_alternative_id: CHEBI:26762
id: CHEBI:47880
database_cross_reference: KEGG:C15506
has_obo_namespace: chebi_ontology
has_related_synonym: steroid esters
imported from: chebi.owl

cyclic polypyrrole
type: Class
subclass of: polypyrrole
id: CHEBI:47882
has_obo_namespace: chebi_ontology
has_related_synonym: cyclic polypyrroles
has_exact_synonym: macrocyclic polypyrroles
has_related_synonym: polypyrrole macrocycles
imported from: chebi.owl

3-oxo Delta(4)-steroid
type: Class
subclass of: 3-oxo steroid
subclass of: enone
has_related_synonym: 272.42500
has_related_synonym: 3-Oxo-delta4-steroid
has_related_synonym: 3-oxo Delta(4)-steroids
has_related_synonym: 3-oxo-Delta(4)-steroid
definition: A 3-oxo steroid conjugated to a C=C double bond at the alpha,beta position.
has_related_synonym: C19H28O
has_related_synonym: CC12CCCC1C1CCC3=CC(=O)CCC3(C)C1CC2
has_alternative_id: CHEBI:13604
has_alternative_id: CHEBI:1626
has_alternative_id: CHEBI:20157
id: CHEBI:47909
has_related_synonym: InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3
database_cross_reference: KEGG:C00619
has_related_synonym: MSEZLHAVPJYYIQ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

flavonoid
type: Class
subclass of: flavonoids
subclass of: Restriction
  on property: has functional parent
  some values from: phenylpropanoid
subclass of: Restriction
  on property: has functional parent
  some values from: 1-benzopyran
has_related_synonym: 2-aryl-1-benzopyran
has_related_synonym: 2-aryl-1-benzopyrans
definition: Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.
has_alternative_id: CHEBI:13638
has_alternative_id: CHEBI:24044
id: CHEBI:47916
has_alternative_id: CHEBI:5077
has_exact_synonym: Flavonoid
database_cross_reference: KEGG:C01579
database_cross_reference: Wikipedia:Flavonoid
has_obo_namespace: chebi_ontology
has_exact_synonym: flavonoid
has_related_synonym: flavonoids
imported from: chebi.owl

3'-hydroxyflavanones
type: Class
subclass of: hydroxyflavanone
definition: Any hydroxyflavanone with a hydroxy substituent at position 3' of the phenyl ring.
id: CHEBI:48024
database_cross_reference: MetaCyc:3-Hydroxy-Flavanones
has_related_synonym: a 3'-hydroxyflavanone
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polyene
type: Class
subclass of: olefin
definition: An olefin that contains more than one carbon-carbon double bond.
id: CHEBI:48121
has_obo_namespace: chebi_ontology
has_related_synonym: polyenes
imported from: chebi.owl

antiseptic drug
type: Class
subclass of: antiinfective agent
definition: A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
id: CHEBI:48218
database_cross_reference: Wikipedia:Antiseptic
has_related_synonym: antiseptic
has_related_synonym: antiseptic agent
has_related_synonym: antiseptic agents
has_related_synonym: antiseptics
has_obo_namespace: chebi_ontology
has_related_synonym: local antiinfective agents
has_related_synonym: local microbicides
has_related_synonym: topical antiinfective agents
has_related_synonym: topical microbicides
imported from: chebi.owl

disinfectant
type: Class
subclass of: antimicrobial agent
definition: An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
id: CHEBI:48219
has_related_synonym: Desinfektionsmittel
has_obo_namespace: chebi_ontology
has_related_synonym: desinfectant
has_related_synonym: disinfectants
has_related_synonym: disinfecting agent
imported from: chebi.owl

butane-1,2,3,4-tetrol
type: Class
subclass of: tetritol
has_related_synonym: 1,2,3,4-tetrahydroxybutane
has_related_synonym: 122.11980
definition: A tetritol that is butane substituted by hydroxy groups at positions 1, 2, 3 and 4.
database_cross_reference: Beilstein:1735878
has_related_synonym: C4H10O4
database_cross_reference: CAS:149-32-6
database_cross_reference: CAS:7541-59-5
id: CHEBI:48299
has_related_synonym: Erythrite
has_related_synonym: Erythrol
has_related_synonym: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
database_cross_reference: KEGG:C00503
database_cross_reference: KEGG:D08915
database_cross_reference: KNApSAcK:C00001161
has_related_synonym: OCC(O)C(O)CO
has_related_synonym: Phycite
has_related_synonym: Phycitol
database_cross_reference: Reaxys:1735878
has_related_synonym: UNXHWFMMPAWVPI-UHFFFAOYSA-N
has_exact_synonym: butane-1,2,3,4-tetrol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fragrance
type: Class
subclass of: application
definition: A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
id: CHEBI:48318
has_related_synonym: Parfuem
has_related_synonym: aroma
has_related_synonym: arome
has_obo_namespace: chebi_ontology
has_related_synonym: essence
has_related_synonym: parfum
has_related_synonym: perfume
has_related_synonym: scent
imported from: chebi.owl

disulfide
type: Class
subclass of: sulfur molecular entity
id: CHEBI:48343
definition: Compounds of structure RSSR'.
has_obo_namespace: chebi_ontology
has_related_synonym: disulfides
imported from: chebi.owl

polar solvent
type: Class
subclass of: solvent
definition: A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
id: CHEBI:48354
has_obo_namespace: chebi_ontology
has_exact_synonym: polar solvent
has_related_synonym: polar solvents
imported from: chebi.owl

non-polar solvent
type: Class
subclass of: solvent
id: CHEBI:48355
has_obo_namespace: chebi_ontology
has_related_synonym: non-polar solvents
imported from: chebi.owl

protic solvent
type: Class
subclass of: Bronsted acid
subclass of: polar solvent
definition: A polar solvent that is capable of acting as a hydron (proton) donor.
id: CHEBI:48356
has_obo_namespace: chebi_ontology
has_exact_synonym: protogenic solvent
imported from: chebi.owl

protophilic solvent
type: Class
subclass of: Bronsted base
subclass of: polar solvent
id: CHEBI:48359
has_related_synonym: HBA solvent
has_obo_namespace: chebi_ontology
has_related_synonym: hydrogen bond acceptor solvent
has_exact_synonym: protophilic solvent
imported from: chebi.owl

amphiprotic solvent
type: Class
subclass of: protic solvent
subclass of: protophilic solvent
id: CHEBI:48360
has_exact_synonym: amphiprotic solvent
has_obo_namespace: chebi_ontology
imported from: chebi.owl

angiogenesis inhibitor
type: Class
subclass of: drug
definition: An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
id: CHEBI:48422
has_alternative_id: CHEBI:67170
database_cross_reference: Wikipedia:Angiogenesis_inhibitor
has_related_synonym: angiogenesis antagonist
has_related_synonym: angiostatic agents
has_related_synonym: anti-angiogenic agent
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbazoles
type: Class
subclass of: dibenzopyrrole
id: CHEBI:48513
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.1.1.21 (aldehyde reductase) inhibitor
type: Class
subclass of: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
has_related_synonym: ALR2 inhibitor
has_related_synonym: ALR2 inhibitors
definition: An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).
id: CHEBI:48550
has_related_synonym: EC 1.1.1.21 (aldehyde reductase) inhibitors
has_related_synonym: EC 1.1.1.21 inhibitor
has_related_synonym: EC 1.1.1.21 inhibitors
has_related_synonym: NADPH-aldopentose reductase inhibitor
has_related_synonym: NADPH-aldopentose reductase inhibitors
has_related_synonym: NADPH-aldose reductase inhibitor
has_related_synonym: NADPH-aldose reductase inhibitors
has_related_synonym: aldehyde reductase (EC 1.1.1.21) inhibitor
has_related_synonym: aldehyde reductase (EC 1.1.1.21) inhibitors
has_related_synonym: aldehyde reductase inhibitor
has_related_synonym: aldehyde reductase inhibitors
has_related_synonym: alditol:NAD(P)(+) 1-oxidoreductase inhibitor
has_related_synonym: alditol:NAD(P)(+) 1-oxidoreductase inhibitors
has_related_synonym: alditol:NADP oxidoreductase inhibitor
has_related_synonym: alditol:NADP oxidoreductase inhibitors
has_related_synonym: alditol:NADP(+) 1-oxidoreductase inhibitor
has_related_synonym: alditol:NADP(+) 1-oxidoreductase inhibitors
has_related_synonym: aldose reductase inhibitor
has_related_synonym: aldose reductase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: polyol dehydrogenase (NADP(+)) inhibitor
has_related_synonym: polyol dehydrogenase (NADP(+)) inhibitors
imported from: chebi.owl

radical scavenger
type: Class
subclass of: antioxidant
definition: A role played by a substance that can react readily with, and thereby eliminate, radicals.
id: CHEBI:48578
has_obo_namespace: chebi_ontology
has_related_synonym: free radical scavengers
has_related_synonym: free-radical scavenger
imported from: chebi.owl

hydroxypiperidine
type: Class
subclass of: piperidines
id: CHEBI:48590
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxypiperidines
imported from: chebi.owl

Estragole
type: Class
subclass of: olefinic compound
has_related_synonym: 1-Allyl-4-methoxybenzene
has_related_synonym: 1-Methoxy-4-(2-propen-1-yl)-Benzene
has_related_synonym: 1-Methoxy-4-(2-propen-1-yl)benzene
has_related_synonym: 1-Methoxy-4-(2-propenyl)-Benzene
has_related_synonym: 1-Methoxy-4-(2-propenyl)benzene, 9CI
has_related_synonym: 1-Methoxy-4-prop-2-enylbenzene
has_exact_synonym: 1-methoxy-4-(prop-2-en-1-yl)benzene
has_related_synonym: 148.202
has_related_synonym: 3-(p-Methoxyphenyl)propene
has_related_synonym: 4-Allyl-1-methoxybenzene
has_related_synonym: 4-Allylanisole
has_related_synonym: 4-Allylmethoxybenzene
has_related_synonym: 4-Methoxyallylbenzene
definition: An olefinic compound that has formula C10H12O.
has_related_synonym: BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL
has_related_synonym: Benzene, 1-methoxy, 4-prop-2-enyl
has_related_synonym: C10H12O
database_cross_reference: CAS:140-67-0
id: CHEBI:4867
has_related_synonym: COc1ccc(CC=C)cc1
has_related_synonym: Chavicol methyl ether
has_related_synonym: Chavicyl methyl ether
has_related_synonym: Esdragol
has_related_synonym: Esdragole
has_related_synonym: Esdragon
has_related_synonym: Estragol
has_related_synonym: Estragol (methylchavicol)
has_exact_synonym: Estragole
has_related_synonym: Ether, p-allylphenyl methyl
has_related_synonym: FEMA 2411
database_cross_reference: HMDB:HMDB34121
has_related_synonym: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
has_related_synonym: Isoanethole
has_related_synonym: Isoanthethole
database_cross_reference: KEGG:C10452
database_cross_reference: KNApSAcK:C00002740
has_related_synonym: Methyl chavicol
has_related_synonym: Methyl chavicole
has_related_synonym: Methyl chavicole (estragole)
has_related_synonym: Methyl-Chavicol
has_related_synonym: Methylchavicol
has_related_synonym: O-Methyl-Chavicol
has_related_synonym: P-Allylmethoxybenzene
has_related_synonym: P-Allylphenyl methyl ether
has_related_synonym: P-Methoxyallylbenzene
database_cross_reference: PMID:10552889
database_cross_reference: PMID:10995274
database_cross_reference: PMID:11161012
database_cross_reference: PMID:11884690
database_cross_reference: PMID:12575134
database_cross_reference: PMID:12617576
database_cross_reference: PMID:15922374
database_cross_reference: PMID:16826298
database_cross_reference: PMID:18095647
database_cross_reference: PMID:18266152
database_cross_reference: PMID:18618386
database_cross_reference: PMID:19167006
database_cross_reference: PMID:19913108
database_cross_reference: PMID:20552457
database_cross_reference: PMID:21291237
database_cross_reference: PMID:21469658
database_cross_reference: PMID:21834250
database_cross_reference: PMID:21922923
database_cross_reference: PMID:21969960
database_cross_reference: PMID:23010670
database_cross_reference: PMID:23020916
database_cross_reference: PMID:24421258
has_related_synonym: Para-allylanisole (estragole)
has_related_synonym: Tarragon
has_related_synonym: Terragon
has_related_synonym: ZFMSMUAANRJZFM-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: p-Allyl-Anisole
has_related_synonym: p-Allylanisole
has_related_synonym: p-Allylphenyl methyl ether
imported from: chebi.owl

agonist
type: Class
subclass of: pharmacological role
id: CHEBI:48705
definition: Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
has_exact_synonym: agonist
has_related_synonym: agonista
has_related_synonym: agoniste
has_related_synonym: agonists
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antagonist
type: Class
subclass of: pharmacological role
id: CHEBI:48706
definition: Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.
has_exact_synonym: antagonist
has_related_synonym: antagonista
has_related_synonym: antagoniste
has_related_synonym: antagonists
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-phellandrene
type: Class
subclass of: phellandrene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 136.23404
has_related_synonym: 2-p-menthadiene
has_related_synonym: 3-isopropyl-6-methylene-1-cyclohexene
has_related_synonym: 3-methylene-6-(1-methylethyl)cyclohexene
has_exact_synonym: 3-methylidene-6-(propan-2-yl)cyclohex-1-ene
has_related_synonym: 4-isopropyl-1-methylene-2-cyclohexene
database_cross_reference: Beilstein:2038351
has_related_synonym: C10H16
database_cross_reference: CAS:555-10-2
has_related_synonym: CC(C)C1CCC(=C)C=C1
id: CHEBI:48741
has_alternative_id: CHEBI:546332
database_cross_reference: HMDB:HMDB36081
has_related_synonym: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
has_related_synonym: LFJQCDVYDGGFCH-UHFFFAOYSA-N
database_cross_reference: MetaCyc:Beta-phellandrene
definition: One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic).
database_cross_reference: PMID:16780354
database_cross_reference: PMID:22978237
database_cross_reference: PMID:23074920
database_cross_reference: PMID:23162914
database_cross_reference: PMID:23285820
database_cross_reference: PMID:23472478
database_cross_reference: PMID:23659167
database_cross_reference: PMID:23738471
database_cross_reference: PMID:24354204
database_cross_reference: PMID:24427963
database_cross_reference: PMID:24617143
database_cross_reference: PMID:24689308
database_cross_reference: PMID:25115100
database_cross_reference: PMID:25230518
database_cross_reference: PMID:8460944
database_cross_reference: Reaxys:2038351
has_related_synonym: beta-Phellandren
has_exact_synonym: beta-phellandrene
has_obo_namespace: chebi_ontology
has_exact_synonym: p-mentha-1(7),2-diene
imported from: chebi.owl

cholinergic antagonist
type: Class
subclass of: cholinergic drug
has_related_synonym: Anticholinergika
has_related_synonym: Anticholinergikum
definition: Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
id: CHEBI:48873
has_related_synonym: acetylcholine antagonists
has_related_synonym: acetylcholine receptor antagonist
has_related_synonym: agent anticholinergique
has_related_synonym: agente anticolinergico
has_related_synonym: agentes anticolinergicos
has_related_synonym: anticholinergic agents
has_related_synonym: anticholinergics
has_related_synonym: anticholinergiques
has_related_synonym: anticolinergicos
has_obo_namespace: chebi_ontology
has_related_synonym: cholinergic-blocking agents
imported from: chebi.owl

3-carboxy-2,3-dihydroxypropanoate
type: Class
subclass of: tartrate
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: 2,3-dihydroxybutanedioic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 2,3-dihydroxybutanedioate
subclass of: Restriction
  on property: has role
  some values from: human xenobiotic metabolite
has_related_synonym: 149.07890
has_exact_synonym: 3-carboxy-2,3-dihydroxypropanoate
definition: A tartaric acid anion that is the conjugate base of 2,3-dihydroxybutanedioic acid.
database_cross_reference: Beilstein:3905887
has_related_synonym: C4H5O6
id: CHEBI:48929
has_related_synonym: FEWJPZIEWOKRBE-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1
has_related_synonym: OC(C(O)C([O-])=O)C(O)=O
database_cross_reference: Reaxys:3905887
has_obo_namespace: chebi_ontology
imported from: chebi.owl

isovalerate
type: Class
subclass of: short-chain fatty acid anion
subclass of: branched-chain saturated fatty acid anion
subclass of: 3-methyl fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: isovaleric acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: mammalian metabolite
has_related_synonym: 101.12376
has_related_synonym: 3-methyl-n-butyrate
has_exact_synonym: 3-methylbutanoate
has_related_synonym: 3-methylbutyrate
definition: A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.
database_cross_reference: Beilstein:773692
has_related_synonym: C5H9O2
has_related_synonym: CC(C)CC([O-])=O
id: CHEBI:48942
has_related_synonym: GWYFCOCPABKNJV-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1
database_cross_reference: PMID:19138353
has_related_synonym: beta-methylbutyrate
has_obo_namespace: chebi_ontology
has_related_synonym: delphinate
has_related_synonym: isopentanoate
has_related_synonym: isopropylacetate
has_exact_synonym: isovalerate
has_related_synonym: isovalerianate
imported from: chebi.owl

(+)-Tetrandrine
type: Class
subclass of: bisbenzylisoquinoline alkaloid
subclass of: isoquinolines
has_exact_synonym: (+)-Tetrandrine
has_related_synonym: 622.751
definition: A bisbenzylisoquinoline alkaloid that has formula C38H42N2O6.
has_related_synonym: C38H42N2O6
database_cross_reference: CAS:518-34-3
id: CHEBI:49
has_related_synonym: InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
database_cross_reference: KEGG:C09654
database_cross_reference: KNApSAcK:C00001919
database_cross_reference: KNApSAcK:C00025278
database_cross_reference: LINCS:LSM-6539
has_related_synonym: Tetrandrine
has_related_synonym: WVTKBKWTSCPRNU-KYJUHHDHSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-phenylethanol
type: Class
subclass of: primary alcohol
subclass of: benzenes
subclass of: Restriction
  on property: has role
  some values from: Aspergillus metabolite
subclass of: Restriction
  on property: has role
  some values from: fragrance
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: plant growth retardant
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_related_synonym: 122.16440
has_related_synonym: 2-Hydroxyethylbenzene
has_related_synonym: 2-PEA
has_related_synonym: 2-PHENYL-ETHANOL
has_exact_synonym: 2-Phenylethanol
has_exact_synonym: 2-phenylethanol
definition: A primary alcohol that is ethanol substituted by a phenyl group at position 2.
database_cross_reference: Beilstein:1905732
has_related_synonym: Benzeneethanol
has_related_synonym: Benzylmethanol
has_related_synonym: C8H10O
database_cross_reference: CAS:60-12-8
has_alternative_id: CHEBI:44780
id: CHEBI:49000
has_alternative_id: CHEBI:8096
database_cross_reference: DrugBank:DB02192
database_cross_reference: Gmelin:240469
database_cross_reference: HMDB:HMDB33944
has_related_synonym: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
database_cross_reference: KEGG:C05853
database_cross_reference: KEGG:D00192
database_cross_reference: KNApSAcK:C00002663
database_cross_reference: MetaCyc:CPD-7035
has_related_synonym: OCCc1ccccc1
database_cross_reference: PDBeChem:PEL
database_cross_reference: PMID:19517523
database_cross_reference: PMID:22690913
database_cross_reference: PMID:23385159
database_cross_reference: PMID:23836015
database_cross_reference: PMID:24423498
has_related_synonym: Phenethyl alcohol
has_related_synonym: Phenylethyl alcohol
database_cross_reference: Reaxys:1905732
has_related_synonym: WRMNZCZEMHIOCP-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Phenethyl_alcohol
has_related_synonym: beta-PEA
has_related_synonym: beta-Phenethyl alcohol
has_related_synonym: beta-Phenylethanol
has_related_synonym: beta-Phenylethyl alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

marmesin
type: Class
subclass of: psoralens
has_exact_synonym: 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
has_related_synonym: 246.25856
definition: A psoralen that has formula C14H14O4.
database_cross_reference: Beilstein:200868
database_cross_reference: Beilstein:85846
has_related_synonym: C14H14O4
has_related_synonym: CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1
id: CHEBI:49080
has_related_synonym: FWYSBEAFFPBAQU-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(-)-marmesin
type: Class
subclass of: marmesin
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-marmesin
has_exact_synonym: (-)-Marmesin
has_exact_synonym: (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
has_related_synonym: 246.25856
definition: A marmesin that has formula C14H14O4.
database_cross_reference: Beilstein:85845
has_related_synonym: C14H14O4
database_cross_reference: CAS:495-32-9
id: CHEBI:49083
has_related_synonym: FWYSBEAFFPBAQU-GFCCVEGCSA-N
has_related_synonym: InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
database_cross_reference: KEGG:C09278
database_cross_reference: KNApSAcK:C00002485
has_obo_namespace: chebi_ontology
imported from: chebi.owl

drug metabolite
type: Class
subclass of: human xenobiotic metabolite
id: CHEBI:49103
has_obo_namespace: chebi_ontology
has_related_synonym: drug metabolites
imported from: chebi.owl

(6S)-vomifoliol
type: Class
subclass of: vomifoliol
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (4S)-4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
has_related_synonym: 224.29610
definition: A vomifoliol that has formula C13H20O3.
database_cross_reference: Beilstein:7688381
has_related_synonym: C13H20O3
has_related_synonym: CC(O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
id: CHEBI:49156
has_related_synonym: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m1/s1
has_related_synonym: KPQMCAKZRXOZLB-ZKQKWALRSA-N
database_cross_reference: PMID:21634415
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(6R,9S)-vomifoliol
type: Class
subclass of: (6R)-vomifoliol
subclass of: Restriction
  on property: is enantiomer of
  some values from: (6S,9R)-vomifoliol
has_exact_synonym: (4R)-4-hydroxy-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
has_related_synonym: 224.29610
definition: A (6R)-vomifoliol that has formula C13H20O3.
database_cross_reference: Beilstein:2617867
has_related_synonym: C13H20O3
id: CHEBI:49160
has_related_synonym: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1
has_related_synonym: KPQMCAKZRXOZLB-BXQPDHIASA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(6R)-vomifoliol
type: Class
subclass of: vomifoliol
has_exact_synonym: (4R)-4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
has_related_synonym: 224.29610
definition: A vomifoliol that has formula C13H20O3.
has_related_synonym: C13H20O3
has_related_synonym: CC(O)\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C
id: CHEBI:49161
has_related_synonym: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m0/s1
has_related_synonym: KPQMCAKZRXOZLB-LWRBJFJMSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(6S,9R)-vomifoliol
type: Class
subclass of: (6S)-vomifoliol
subclass of: Restriction
  on property: has role
  some values from: phytotoxin
subclass of: Restriction
  on property: is enantiomer of
  some values from: (6R,9S)-vomifoliol
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
has_related_synonym: (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
has_related_synonym: (6S,9R)-6-Hydroxy-3-oxo-alpha-ionol
has_related_synonym: (6S,9R)-6-hydroxy-3-oxo-alpha-ionol
has_exact_synonym: (6S,9R)-vomifoliol
has_related_synonym: 224.29610
definition: A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9.
database_cross_reference: Beilstein:1877674
has_related_synonym: Blumenol A
has_related_synonym: C13H20O3
database_cross_reference: CAS:23526-45-6
has_alternative_id: CHEBI:10020
has_alternative_id: CHEBI:49157
id: CHEBI:49164
has_related_synonym: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
database_cross_reference: KEGG:C01760
database_cross_reference: KNApSAcK:C00029834
has_related_synonym: KPQMCAKZRXOZLB-KOIHBYQTSA-N
database_cross_reference: MetaCyc:--6-HYDROXY-3-OXO-ALPHA-IONOL
database_cross_reference: PMID:19336938
database_cross_reference: PMID:22364828
database_cross_reference: Reaxys:1877674
has_related_synonym: Vomifoliol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

eugenol
type: Class
subclass of: monomethoxybenzene
subclass of: phenylpropanoid
subclass of: phenols
subclass of: Restriction
  on property: has role
  some values from: allergen
subclass of: Restriction
  on property: has functional parent
  some values from: guaiacol
has_related_synonym: 1,3,4-Eugenol
has_related_synonym: 1-Hydroxy-2-methoxy-4-allylbenzene
has_related_synonym: 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene
has_related_synonym: 1-Hydroxy-2-methoxy-4-propenylbenzene
has_related_synonym: 1-allyl-3-methoxy-4-hydroxybenzene
has_related_synonym: 1-allyl-4-hydroxy-3-methoxybenzene
has_related_synonym: 164.20110
has_related_synonym: 2-Hydroxy-5-allylanisole
has_related_synonym: 2-Methoxy-1-hydroxy-4-allylbenzene
has_related_synonym: 2-Methoxy-4-(2-propen-1-yl)phenol
has_related_synonym: 2-Methoxy-4-(2-propenyl)phenol
has_related_synonym: 2-Methoxy-4-allylphenol
has_related_synonym: 2-Methoxy-4-prop-2-enylphenol
has_related_synonym: 2-methoxy-4-(2-propen-1-yl)phenol
has_exact_synonym: 2-methoxy-4-(prop-2-en-1-yl)phenol
has_related_synonym: 4-Allyl-1-hydroxy-2-methoxybenzene
has_related_synonym: 4-Allyl-2-methoxyphenol
has_related_synonym: 4-Allylcatechol-2-methyl ether
has_related_synonym: 4-Allylguaiacol
has_related_synonym: 4-Hydroxy-3-methoxy-1-allylbenzene
has_related_synonym: 4-allyl-2-methoxyphenol
definition: A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group.
has_related_synonym: Allylguaiacol
database_cross_reference: Beilstein:1366759
has_related_synonym: C10H12O2
database_cross_reference: CAS:97-53-0
id: CHEBI:4917
has_related_synonym: COc1cc(CC=C)ccc1O
has_related_synonym: Caryophyllic acid
has_related_synonym: Eugenic acid
has_exact_synonym: Eugenol
database_cross_reference: HMDB:HMDB05809
has_related_synonym: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
database_cross_reference: KEGG:C10453
database_cross_reference: KEGG:D04117
database_cross_reference: KNApSAcK:C00000619
database_cross_reference: LINCS:LSM-2720
database_cross_reference: MetaCyc:CPD-6481
database_cross_reference: PMID:11033063
database_cross_reference: PMID:11806158
database_cross_reference: PMID:14745850
database_cross_reference: PMID:15574415
database_cross_reference: PMID:18218839
database_cross_reference: PMID:20809147
database_cross_reference: PMID:22923067
database_cross_reference: PMID:23181601
database_cross_reference: PMID:23261812
database_cross_reference: PMID:23264268
database_cross_reference: PMID:2329164
database_cross_reference: PMID:23313798
database_cross_reference: PMID:23325490
database_cross_reference: PMID:23422484
database_cross_reference: PMID:23422489
database_cross_reference: PMID:23444040
database_cross_reference: PMID:23594212
database_cross_reference: PMID:23666640
database_cross_reference: PMID:23677922
database_cross_reference: PMID:23707945
database_cross_reference: PMID:23768603
database_cross_reference: PMID:23768604
database_cross_reference: PMID:23791894
database_cross_reference: PMID:23837051
database_cross_reference: PMID:23841789
database_cross_reference: PMID:23852671
database_cross_reference: PMID:8596779
database_cross_reference: PMID:9084914
has_related_synonym: RRAFCDWBNXTKKO-UHFFFAOYSA-N
database_cross_reference: Reaxys:1366759
database_cross_reference: Wikipedia:Eugenol
has_obo_namespace: chebi_ontology
has_exact_synonym: eugenol
has_related_synonym: p-Allylguaiacol
has_related_synonym: p-Eugenol
imported from: chebi.owl

diterpene lactone
type: Class
subclass of: diterpenoid
subclass of: terpene lactone
id: CHEBI:49193
has_obo_namespace: chebi_ontology
has_related_synonym: diterpene lactones
imported from: chebi.owl

anti-ulcer drug
type: Class
subclass of: drug
id: CHEBI:49201
definition: One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
has_related_synonym: anti-ulcer agent
has_related_synonym: anti-ulcer agents
has_related_synonym: anti-ulcer drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

syringaresinol
type: Class
subclass of: lignan
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol
has_related_synonym: 4,4'-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol)
has_related_synonym: 418.43704
definition: A lignan that is 7,9':7',9-diepoxylignane substituted by hydroxy groups at positions 4 and 4' and methoxy groups at positions 3, 3', 5 and 5' respectively.
has_related_synonym: C22H26O8
id: CHEBI:49211
has_related_synonym: InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3
has_related_synonym: KOWMJRJXZMEZLD-UHFFFAOYSA-N
has_related_synonym: S(8-8)S
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(-)-syringaresinol
type: Class
subclass of: syringaresinol
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-syringaresinol
has_exact_synonym: (7beta,7'beta,8beta,8'beta)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol
has_related_synonym: 418.43704
database_cross_reference: Beilstein:6577407
has_related_synonym: C22H26O8
id: CHEBI:49212
has_related_synonym: InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1
has_related_synonym: KOWMJRJXZMEZLD-WRMVBYCNSA-N
database_cross_reference: PMID:20958014
database_cross_reference: PMID:21469695
database_cross_reference: PMID:21627109
database_cross_reference: Reaxys:6577407
definition: The (7beta,7'beta,8beta,8'beta)-stereoisomer of syringaresinol.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

bisabolene
type: Class
subclass of: sesquiterpene
subclass of: Restriction
  on property: has parent hydride
  some values from: bisabolane
has_related_synonym: C15H24
id: CHEBI:49235
database_cross_reference: Wikipedia:Bisabolene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-bisabolene
type: Class
subclass of: bisabolene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
has_related_synonym: 204.35106
definition: A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4.
database_cross_reference: Beilstein:2044624
has_related_synonym: C15H24
has_related_synonym: CC(C)=CCCC(=C)C1CCC(C)=CC1
id: CHEBI:49249
database_cross_reference: HMDB:HMDB35992
has_related_synonym: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
database_cross_reference: PMID:22164802
database_cross_reference: PMID:23678435
database_cross_reference: PMID:23833899
database_cross_reference: Reaxys:2044624
has_related_synonym: XZRVRYFILCSYSP-UHFFFAOYSA-N
has_related_synonym: beta-Bisabolen
has_exact_synonym: bisabola-4,7(11),10(15)-triene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

humulene
type: Class
subclass of: sesquiterpene
subclass of: Restriction
  on property: has parent hydride
  some values from: humulane
has_related_synonym: C15H24
id: CHEBI:49289
has_related_synonym: Humulen
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-hydroxy monocarboxylic acid
type: Class
subclass of: hydroxy monocarboxylic acid
has_related_synonym: 2-hydroxy acid
has_related_synonym: 2-hydroxy monocarboxylic acids
has_alternative_id: CHEBI:19626
has_alternative_id: CHEBI:35967
id: CHEBI:49302
has_obo_namespace: chebi_ontology
imported from: chebi.owl

molybdenum(4+)
type: Class
subclass of: monoatomic tetracation
subclass of: molybdenum cation
has_related_synonym: 95.94000
definition: A molybdenum cation that has formula 95.94000.
database_cross_reference: CAS:21175-08-6
has_alternative_id: CHEBI:30509
has_alternative_id: CHEBI:49409
id: CHEBI:49414
database_cross_reference: Gmelin:54125
has_related_synonym: InChI=1S/Mo/q+4
has_related_synonym: MOLYBDENUM(IV) ION
has_related_synonym: Mo
has_related_synonym: Mo(4+)
has_related_synonym: Molybdenum, ion (Mo4+)
database_cross_reference: PDBeChem:4MO
has_related_synonym: ZIKKVZAYJJZBGE-UHFFFAOYSA-N
has_related_synonym: [Mo+4]
has_obo_namespace: chebi_ontology
has_exact_synonym: molybdenum(4+)
has_exact_synonym: molybdenum(4+) ion
has_exact_synonym: molybdenum(IV) cation
imported from: chebi.owl

silver(1+)
type: Class
subclass of: monoatomic monocation
subclass of: monovalent inorganic cation
subclass of: silver cation
has_related_synonym: 107.86820
definition: A silver cation that has formula Ag.
has_related_synonym: Ag
has_related_synonym: Ag(+)
database_cross_reference: CAS:14701-21-4
has_alternative_id: CHEBI:30051
has_alternative_id: CHEBI:49467
id: CHEBI:49468
has_related_synonym: FOIXSVOLVBLSDH-UHFFFAOYSA-N
database_cross_reference: Gmelin:15176
has_related_synonym: InChI=1S/Ag/q+1
database_cross_reference: PDBeChem:AG
has_related_synonym: SILVER ION
has_related_synonym: Silver ion (1+)
has_related_synonym: [Ag+]
has_obo_namespace: chebi_ontology
has_exact_synonym: silver(1+)
has_exact_synonym: silver(1+) ion
has_exact_synonym: silver(I) cation
imported from: chebi.owl

hydrogen atom
type: Class
subclass of: inorganic molecular entity
subclass of: nonmetal atom
subclass of: s-block element atom
subclass of: Restriction
  on property: has role
  some values from: macronutrient
has_related_synonym: 1.00794
has_related_synonym: 1H
definition: A s-block element atom that has formula 1.00794.
has_alternative_id: CHEBI:24634
has_alternative_id: CHEBI:49636
id: CHEBI:49637
has_related_synonym: H
has_related_synonym: InChI=1S/H
has_related_synonym: Wasserstoff
database_cross_reference: WebElements:H
has_related_synonym: YZCKVEUIGOORGS-UHFFFAOYSA-N
has_related_synonym: [H]
has_obo_namespace: chebi_ontology
has_related_synonym: hidrogeno
has_exact_synonym: hydrogen
has_related_synonym: hydrogen
has_related_synonym: hydrogene
imported from: chebi.owl

Fagomine
type: Class
subclass of: piperidines
has_related_synonym: 147.173
definition: A piperidine that has formula C6H13NO3.
has_related_synonym: C6H13NO3
database_cross_reference: CAS:53185-12-9
id: CHEBI:4969
has_exact_synonym: Fagomine
has_related_synonym: InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
database_cross_reference: KEGG:C10144
database_cross_reference: KNApSAcK:C00002038
has_related_synonym: OC[C@H]1NCC[C@@H](O)[C@@H]1O
has_related_synonym: YZNNBIPIQWYLDM-HSUXUTPPSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nickel(2+)
type: Class
subclass of: nickel cation
subclass of: monoatomic dication
subclass of: divalent metal cation
subclass of: metal cation allergen
has_related_synonym: 58.69340
definition: An ion of nickel carrying a double positive charge.
database_cross_reference: CAS:14701-22-5
has_alternative_id: CHEBI:25517
has_alternative_id: CHEBI:49785
id: CHEBI:49786
database_cross_reference: Gmelin:6859
has_related_synonym: InChI=1S/Ni/q+2
has_related_synonym: NICKEL (II) ION
has_related_synonym: Ni
has_related_synonym: Ni(2+)
has_related_synonym: Ni2+
has_related_synonym: Nickel, ion (Ni2+)
database_cross_reference: PDBeChem:NI
database_cross_reference: PMID:20456924
has_related_synonym: VEQPNABPJHWNSG-UHFFFAOYSA-N
has_related_synonym: [Ni++]
has_obo_namespace: chebi_ontology
has_exact_synonym: nickel(2+)
has_exact_synonym: nickel(2+) ion
has_exact_synonym: nickel(II) cation
has_related_synonym: nickelous ion
imported from: chebi.owl

fatty acid methyl ester
type: Class
subclass of: methyl ester
subclass of: fatty acid ester
definition: A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with methanol.
has_related_synonym: C2H3O2R
has_alternative_id: CHEBI:13635
has_alternative_id: CHEBI:24023
id: CHEBI:4986
has_related_synonym: COC([*])=O
has_related_synonym: FAME
has_exact_synonym: Fatty acid methyl ester
database_cross_reference: KEGG:C03395
database_cross_reference: MetaCyc:Fatty-acid-methyl-esters
database_cross_reference: Wikipedia:Fatty_acid_methyl_ester
has_related_synonym: a fatty acid methyl ester
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid methyl esters
imported from: chebi.owl

glycosyloxyflavone
type: Class
subclass of: flavones
subclass of: glycoside
definition: A member of the class of flavones having one or more glycosyl residues attached at unspecified positions.
id: CHEBI:50018
has_obo_namespace: chebi_ontology
has_related_synonym: flavone glycoside
has_related_synonym: flavone glycosides
has_exact_synonym: glycosyloxyflavone
has_related_synonym: glycosyloxyflavones
imported from: chebi.owl

beta-pinene
type: Class
subclass of: pinene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 136.23404
has_related_synonym: 2(10)-pinene
has_related_synonym: 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
has_exact_synonym: 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
definition: An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.
has_related_synonym: C10H16
database_cross_reference: CAS:127-91-3
has_related_synonym: CC1(C)C2CCC(=C)C1C2
has_alternative_id: CHEBI:10438
has_alternative_id: CHEBI:22853
id: CHEBI:50025
database_cross_reference: HMDB:HMDB36560
has_related_synonym: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
database_cross_reference: KEGG:C09882
database_cross_reference: KNApSAcK:C00000816
database_cross_reference: LIPID_MAPS_instance:LMPR0102120018
database_cross_reference: MetaCyc:CPD-3221
database_cross_reference: PMID:23472478
database_cross_reference: PMID:23513734
database_cross_reference: PMID:23738469
database_cross_reference: PMID:24555296
database_cross_reference: Reaxys:1362266
has_related_synonym: WTARULDDTDQWMU-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Beta-pinene
has_exact_synonym: beta-Pinene
has_obo_namespace: chebi_ontology
has_related_synonym: nopinene
has_exact_synonym: pin-2(10)-ene
has_related_synonym: pseudopinene
imported from: chebi.owl

sabinene
type: Class
subclass of: thujene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-isopropyl-4-methylenebicyclo[3.1.0]hexane
has_related_synonym: 136.23400
has_related_synonym: 4(10)-thujene
has_related_synonym: 4-methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane
has_exact_synonym: 4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
definition: A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.
database_cross_reference: Beilstein:2038283
has_related_synonym: C10H16
database_cross_reference: CAS:3387-41-5
has_related_synonym: CC(C)C12CC1C(=C)CC2
id: CHEBI:50027
has_related_synonym: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
database_cross_reference: KEGG:C16777
database_cross_reference: MetaCyc:CPD-4893
has_related_synonym: NDVASEGYNIMXJL-UHFFFAOYSA-N
database_cross_reference: PMID:24493662
database_cross_reference: PMID:24512040
database_cross_reference: PMID:24520907
database_cross_reference: Reaxys:2038283
has_related_synonym: Sabinen
database_cross_reference: Wikipedia:Sabinene
has_obo_namespace: chebi_ontology
has_exact_synonym: thuj-4(10)-ene
imported from: chebi.owl

thujene
type: Class
subclass of: monoterpene
subclass of: Restriction
  on property: has parent hydride
  some values from: thujane
definition: A monoterpene based on a thujane skeleton.
has_related_synonym: C10H16
id: CHEBI:50030
has_related_synonym: Thujen
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phellandrene
type: Class
subclass of: cycloalkene
subclass of: p-menthadiene
has_related_synonym: C10H16
id: CHEBI:50034
has_related_synonym: Phellandren
database_cross_reference: Wikipedia:Phellandrene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic amino compound
type: Class
subclass of: organonitrogen compound
subclass of: Restriction
  on property: has parent hydride
  some values from: ammonia
definition: A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups.
id: CHEBI:50047
has_obo_namespace: chebi_ontology
has_related_synonym: organic amino compounds
imported from: chebi.owl

p-menthadiene
type: Class
subclass of: monoterpene
subclass of: Restriction
  on property: has parent hydride
  some values from: p-menthane
definition: A monoterpene that consists of an unsaturated p-menthane skeleton having two double bonds.
has_related_synonym: C10H16
id: CHEBI:50073
has_obo_namespace: chebi_ontology
imported from: chebi.owl

excitatory amino acid agonist
type: Class
subclass of: neurotransmitter agent
definition: An agent that binds to and activates excitatory amino acid receptors.
id: CHEBI:50103
has_obo_namespace: chebi_ontology
has_related_synonym: excitatory amino acid agonists
has_related_synonym: excitatory amino acid receptor agonist
has_related_synonym: excitatory amino acid receptor agonists
imported from: chebi.owl

sex hormone
type: Class
subclass of: hormone
definition: Any hormone that is responsible for controlling sexual characteristics and reproductive function.
id: CHEBI:50112
has_related_synonym: Geschlechtshormon
has_related_synonym: Geschlechtshormone
has_related_synonym: Sexualhormon
has_related_synonym: Sexualhormone
has_obo_namespace: chebi_ontology
has_related_synonym: hormone sexuelle
has_related_synonym: hormones sexuelles
has_related_synonym: sex hormones
imported from: chebi.owl

estrogen
type: Class
subclass of: sex hormone
definition: A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens.
id: CHEBI:50114
has_related_synonym: Estrogene
has_related_synonym: Oestrogen
has_related_synonym: Oestrogene
database_cross_reference: Wikipedia:Estrogen
has_obo_namespace: chebi_ontology
has_related_synonym: estrogene
has_related_synonym: estrogenes
has_related_synonym: estrogenes Hormon
has_related_synonym: estrogeno
has_related_synonym: estrogenos
has_related_synonym: estrogens
has_related_synonym: oestrogen
has_related_synonym: oestrogene
has_related_synonym: oestrogenes
has_related_synonym: oestrogens
imported from: chebi.owl

biflavonoid
type: Class
subclass of: flavonoid oligomer
definition: A flavonoid oligomer that is obtained by the oxidative coupling of at least two units of aryl-substituted benzopyran rings or its substituted derivatives, resulting in the two ring systems being joined together by a single atom or bond.
id: CHEBI:50128
database_cross_reference: Wikipedia:Biflavonoid
has_related_synonym: biflavonoids
has_obo_namespace: chebi_ontology
has_related_synonym: diflavonoid
has_related_synonym: diflavonoids
imported from: chebi.owl

keratolytic drug
type: Class
subclass of: dermatologic drug
definition: A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.
id: CHEBI:50176
has_obo_namespace: chebi_ontology
has_related_synonym: desquamating agent
has_related_synonym: keratolytic agent
has_related_synonym: keratolytic drugs
has_related_synonym: skin-peeling agent
imported from: chebi.owl

dermatologic drug
type: Class
subclass of: drug
definition: A drug used to treat or prevent skin disorders or for the routine care of skin.
id: CHEBI:50177
has_obo_namespace: chebi_ontology
has_related_synonym: dermatologic agent
has_related_synonym: dermatologic drugs
has_related_synonym: dermatological agent
imported from: chebi.owl

P450 inhibitor
type: Class
subclass of: EC 1.14.14.1 (unspecific monooxygenase) inhibitor
definition: An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
id: CHEBI:50183
has_related_synonym: CYP2D6 inhbitor
has_related_synonym: CYP2D6 inhbitors
has_related_synonym: P450 inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: cytochrome P450 inhibitor
has_related_synonym: cytochrome P450 inhibitors
imported from: chebi.owl

provitamin
type: Class
subclass of: biological role
definition: A substance that can be converted into a vitamin by animal tissues.
id: CHEBI:50188
database_cross_reference: Wikipedia:Provitamin
has_obo_namespace: chebi_ontology
has_related_synonym: provitamins
imported from: chebi.owl

dihydroxybenzaldehyde
type: Class
subclass of: benzaldehydes
has_related_synonym: C7H6O3
id: CHEBI:50196
has_obo_namespace: chebi_ontology
has_exact_synonym: dihydroxybenzaldehyde
imported from: chebi.owl

(R)-naringenin
type: Class
subclass of: naringenin
subclass of: Restriction
  on property: is enantiomer of
  some values from: (S)-naringenin
has_related_synonym: (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
has_exact_synonym: (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
has_related_synonym: (2R)-naringenin
has_related_synonym: 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone
has_related_synonym: 272.25278
database_cross_reference: Beilstein:90700
has_related_synonym: C15H12O5
id: CHEBI:50201
has_related_synonym: FTVWIRXFELQLPI-CYBMUJFWSA-N
has_related_synonym: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1
database_cross_reference: MetaCyc:CPD-14042
has_related_synonym: Oc1ccc(cc1)[C@H]1CC(=O)c2c(O)cc(O)cc2O1
database_cross_reference: Reaxys:90700
definition: The (R)-enantiomer of naringenin.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

naringenin
type: Class
subclass of: trihydroxyflavanone
has_related_synonym: 272.25278
has_exact_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
definition: A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'.
database_cross_reference: Beilstein:280888
has_related_synonym: C15H12O5
id: CHEBI:50202
has_related_synonym: FTVWIRXFELQLPI-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
database_cross_reference: LINCS:LSM-1927
database_cross_reference: MetaCyc:Naringenin
has_related_synonym: Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3,4-dihydroxybenzaldehyde
type: Class
subclass of: dihydroxybenzaldehyde
has_related_synonym: 1,2-dihydroxy-4-formylbenzene
has_related_synonym: 138.12074
has_exact_synonym: 3,4-dihydroxybenzaldehyde
has_related_synonym: 3,4-dihydroxybenzenecarbonal
has_related_synonym: 4-formyl-1,2-benzenediol
has_related_synonym: 4-formyl-1,2-dihydroxybenzene
definition: A dihydroxybenzaldehyde that has formula C7H6O3.
database_cross_reference: Beilstein:774381
has_related_synonym: C7H6O3
database_cross_reference: CAS:139-85-5
id: CHEBI:50205
database_cross_reference: Gmelin:123001
has_related_synonym: IBGBGRVKPALMCQ-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
database_cross_reference: KEGG:C16700
database_cross_reference: KNApSAcK:C00018099
has_related_synonym: Protocatechualdehyde
has_related_synonym: [H]C(=O)c1ccc(O)c(O)c1
has_obo_namespace: chebi_ontology
has_related_synonym: protocatechualdehyde
has_related_synonym: protocatechuic aldehyde
imported from: chebi.owl

retinol
type: Class
subclass of: primary alcohol
subclass of: retinoid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 286.45160
has_exact_synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
definition: A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).
has_related_synonym: C20H30O
has_related_synonym: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO
has_alternative_id: CHEBI:15037
has_alternative_id: CHEBI:26538
id: CHEBI:50211
has_related_synonym: FPIPGXGPPPQFEQ-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3
database_cross_reference: LINCS:LSM-5317
database_cross_reference: MetaCyc:Retinols
has_obo_namespace: chebi_ontology
has_exact_synonym: retinol
imported from: chebi.owl

EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
type: Class
subclass of: EC 3.1.* (ester hydrolase) inhibitor
definition: An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
id: CHEBI:50218
has_alternative_id: CHEBI:76774
has_related_synonym: EC 3.1.4.* (phosphoric diester hydrolase) inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: phosphodiesterase inhibitor
has_related_synonym: phosphodiesterase inhibitors
has_related_synonym: phosphoric diester hydrolase (EC 3.1.4.*) inhibitor
has_related_synonym: phosphoric diester hydrolase (EC 3.1.4.*) inhibitors
has_related_synonym: phosphoric diester hydrolase inhibitor
has_related_synonym: phosphoric diester hydrolase inhibitors
imported from: chebi.owl

antidote
type: Class
subclass of: protective agent
definition: Any protective agent counteracting or neutralizing the action of poisons.
id: CHEBI:50247
has_related_synonym: antidotes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hematologic agent
type: Class
subclass of: drug
id: CHEBI:50248
definition: Drug that acts on blood and blood-forming organs and those that affect the hemostatic system.
has_obo_namespace: chebi_ontology
has_related_synonym: hematologic agents
imported from: chebi.owl

2-hydroxydicarboxylic acid
type: Class
subclass of: dicarboxylic acid
has_exact_synonym: 2-Hydroxydicarboxylic acid
has_related_synonym: 2-hydroxydicarboxylic acids
definition: Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.
has_related_synonym: C3H4O5(CH2)n
has_alternative_id: CHEBI:1154
has_alternative_id: CHEBI:19636
id: CHEBI:50263
database_cross_reference: KEGG:C03668
has_obo_namespace: chebi_ontology
imported from: chebi.owl

prodrug
type: Class
subclass of: drug
definition: A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
id: CHEBI:50266
has_related_synonym: Prodrugs
database_cross_reference: Wikipedia:Prodrug
has_obo_namespace: chebi_ontology
imported from: chebi.owl

protective agent
type: Class
subclass of: drug
id: CHEBI:50267
definition: Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
has_obo_namespace: chebi_ontology
has_related_synonym: chemoprotectant
has_related_synonym: chemoprotectants
has_related_synonym: chemoprotective agent
has_related_synonym: chemoprotective agents
has_related_synonym: protective agents
imported from: chebi.owl

GABA modulator
type: Class
subclass of: membrane transport modulator
subclass of: GABA agent
definition: A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
id: CHEBI:50268
has_related_synonym: GABA modulators
has_obo_namespace: chebi_ontology
imported from: chebi.owl

secoiridoid glycoside
type: Class
subclass of: glycoside
id: CHEBI:50274
has_obo_namespace: chebi_ontology
has_exact_synonym: secoiridoid glycoside
has_related_synonym: secoiridoid glycosides
imported from: chebi.owl

EC 5.99.1.2 (DNA topoisomerase) inhibitor
type: Class
subclass of: topoisomerase inhibitor
definition: A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA.
id: CHEBI:50276
has_related_synonym: DNA topoisomerase inhibitor
has_related_synonym: DNA topoisomerase inhibitors
has_related_synonym: EC 5.99.1.2 (DNA topoisomerase) inhibitors
has_related_synonym: EC 5.99.1.2 (topoisomerase I) inhibitor
has_related_synonym: EC 5.99.1.2 (topoisomerase I) inhibitors
has_related_synonym: EC 5.99.1.2 inhibitor
has_related_synonym: EC 5.99.1.2 inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: topoisomerase I (EC 5.99.1.2) inhibitor
has_related_synonym: topoisomerase I (EC 5.99.1.2) inhibitors
has_related_synonym: topoisomerase I inhibitor
has_related_synonym: topoisomerase I inhibitors
has_related_synonym: type I DNA topoisomerase inhibitor
has_related_synonym: type I DNA topoisomerase inhibitors
imported from: chebi.owl

onium compound
type: Class
subclass of: heteroatomic molecular entity
id: CHEBI:50312
has_obo_namespace: chebi_ontology
has_exact_synonym: onium compound
has_related_synonym: onium compounds
has_exact_synonym: onium compounds
imported from: chebi.owl

onium cation
type: Class
subclass of: onium compound
id: CHEBI:50313
definition: Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families.
has_obo_namespace: chebi_ontology
has_exact_synonym: onium cations
has_related_synonym: onium cations
has_related_synonym: onium ion
has_related_synonym: onium ions
imported from: chebi.owl

proteinogenic amino-acid side-chain group
type: Class
subclass of: organyl group
definition: A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid.
id: CHEBI:50325
has_related_synonym: canonical amino-acid side-chain
has_related_synonym: canonical amino-acid side-chains
has_obo_namespace: chebi_ontology
has_related_synonym: proteinogenic amino-acid side-chain
has_related_synonym: proteinogenic amino-acid side-chain groups
has_related_synonym: proteinogenic amino-acid side-chains
imported from: chebi.owl

sulfanylmethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has_related_synonym: -CH2-SH
has_related_synonym: 47.10052
has_related_synonym: CH3S
id: CHEBI:50326
has_related_synonym: HS-CH2-
has_obo_namespace: chebi_ontology
has_related_synonym: cysteine side-chain
has_exact_synonym: sulfanylmethyl
imported from: chebi.owl

2-carboxyethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has_exact_synonym: 2-carboxyethyl
has_related_synonym: 73.07060
has_related_synonym: C3H5O2
id: CHEBI:50329
has_obo_namespace: chebi_ontology
has_related_synonym: glutamic acid side-chain
imported from: chebi.owl

1H-imidazol-4-ylmethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has_exact_synonym: 1H-imidazol-4-ylmethyl
has_related_synonym: 81.09598
has_related_synonym: C4H5N2
id: CHEBI:50338
has_obo_namespace: chebi_ontology
has_related_synonym: histidine side-chain
imported from: chebi.owl

3-carbamimidamidopropyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has_related_synonym: 100.14242
has_related_synonym: 3-(carbamimidoylamino)propyl
has_exact_synonym: 3-carbamimidamidopropyl
has_related_synonym: 3-guanidinopropyl
has_related_synonym: C4H10N3
id: CHEBI:50340
has_related_synonym: arginine side-chain
has_obo_namespace: chebi_ontology
imported from: chebi.owl

1-hydroxyethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has_exact_synonym: 1-hydroxyethyl
has_related_synonym: 45.06050
has_related_synonym: C2H5O
id: CHEBI:50341
has_obo_namespace: chebi_ontology
has_related_synonym: threonine side-chain
imported from: chebi.owl

cholestanoid
type: Class
subclass of: steroid
subclass of: Restriction
  on property: has parent hydride
  some values from: cholestane
definition: Any steroid based on a cholestane skeleton and its derivatives.
id: CHEBI:50401
has_obo_namespace: chebi_ontology
has_related_synonym: cholestanoids
imported from: chebi.owl

ergostanoid
type: Class
subclass of: steroid
subclass of: Restriction
  on property: has parent hydride
  some values from: ergostane
id: CHEBI:50403
has_obo_namespace: chebi_ontology
has_related_synonym: ergostanoids
imported from: chebi.owl

probe
type: Class
subclass of: application
definition: A role played by a molecular entity used to study the microscopic environment.
id: CHEBI:50406
has_obo_namespace: chebi_ontology
imported from: chebi.owl

platelet aggregation inhibitor
type: Class
subclass of: hematologic agent
definition: A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
id: CHEBI:50427
has_obo_namespace: chebi_ontology
has_related_synonym: platelet aggregation inhibitors
imported from: chebi.owl

laxative
type: Class
subclass of: drug
definition: An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.
id: CHEBI:50503
has_related_synonym: aperient
has_related_synonym: aperients
has_obo_namespace: chebi_ontology
has_related_synonym: laxante
has_related_synonym: laxatives
has_related_synonym: purgative
has_related_synonym: purgatives
imported from: chebi.owl

butenolide
type: Class
subclass of: furans
subclass of: gamma-lactone
has_related_synonym: 2-furanone
definition: A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives.
has_related_synonym: C4H4O2
has_alternative_id: CHEBI:22960
has_alternative_id: CHEBI:38121
id: CHEBI:50523
database_cross_reference: Wikipedia:Butenolide
has_related_synonym: butenolides
has_obo_namespace: chebi_ontology
has_exact_synonym: furan-2-one
imported from: chebi.owl

catecholate(1-)
type: Class
subclass of: phenolate anion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: catecholate(2-)
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: catechol
has_related_synonym: 109.10270
has_exact_synonym: 2-hydroxyphenolate
definition: A phenolate anion that is the conjugate base of catechol.
database_cross_reference: Beilstein:3904355
has_related_synonym: C6H5O2
id: CHEBI:50524
database_cross_reference: Gmelin:142204
has_related_synonym: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1
has_related_synonym: Oc1ccccc1[O-]
database_cross_reference: Reaxys:3904355
has_related_synonym: YCIMNLLNPGFGHC-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: pyrocatechol monoanion
imported from: chebi.owl

phenolate anion
type: Class
subclass of: organic anion
definition: An organic anion arising from deprotonation of the OH function of a phenol compound.
id: CHEBI:50525
has_obo_namespace: chebi_ontology
has_related_synonym: phenolate anions
imported from: chebi.owl

iridoid monoterpenoid
type: Class
subclass of: monoterpenoid
id: CHEBI:50563
definition: One of a class of monoterpenoids biosynthesized from isoprene and often intermediates in the biosynthesis of alkaloids. Iridoids usually consist of a cyclopentane ring fused to a six-membered oxygen heterocycle.
database_cross_reference: Wikipedia:Iridoid
has_obo_namespace: chebi_ontology
has_exact_synonym: iridoid monoterpenoid
has_related_synonym: iridoid monoterpenoids
imported from: chebi.owl

alkenyl alcohol
type: Class
subclass of: aliphatic alcohol
subclass of: olefinic compound
definition: Any aliphatic alcohol in which the carbon chain contains one or more olefinic bonds.
id: CHEBI:50582
has_related_synonym: alkenyl alcohols
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxyalkene
has_related_synonym: hydroxyalkenes
imported from: chebi.owl

alkyl alcohol
type: Class
subclass of: aliphatic alcohol
definition: An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position.
has_alternative_id: CHEBI:22937
has_alternative_id: CHEBI:50581
id: CHEBI:50584
has_related_synonym: alkyl alcohols
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxyalkane
has_related_synonym: hydroxyalkanes
imported from: chebi.owl

cyclooxygenase 2 inhibitor
type: Class
subclass of: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
definition: A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
id: CHEBI:50629
has_related_synonym: COX-2 inhibitor
has_related_synonym: COX-2 inhibitors
has_related_synonym: PGHS-2 inhibitor
has_related_synonym: PGHS-2 inhibitors
database_cross_reference: Wikipedia:Prostaglandin-endoperoxide_synthase_2
has_obo_namespace: chebi_ontology
has_related_synonym: cyclo-oxygenase 2 inhibitor
has_related_synonym: cyclo-oxygenase 2 inhibitors
has_related_synonym: cyclo-oxygenase-2 inhibitor
has_related_synonym: cyclo-oxygenase-2 inhibitors
has_related_synonym: cyclooxygenase 2 inhibitors
has_related_synonym: cyclooxygenase-2 inhibitor
has_related_synonym: cyclooxygenase-2 inhibitors
has_related_synonym: prostaglandin H synthase-2 inhibitor
has_related_synonym: prostaglandin H synthase-2 inhibitors
has_related_synonym: prostaglandin-endoperoxide synthase 2 inhibitor
has_related_synonym: prostaglandin-endoperoxide synthase 2 inhibitors
imported from: chebi.owl

cyclooxygenase 1 inhibitor
type: Class
subclass of: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
definition: A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
id: CHEBI:50630
has_related_synonym: COX-1 inhibitor
has_related_synonym: COX-1 inhibitors
has_related_synonym: PTGS1 inhibitor
has_related_synonym: PTGS1 inhibitors
database_cross_reference: Wikipedia:PTGS1
has_obo_namespace: chebi_ontology
has_related_synonym: cyclo-oxygenase 1 inhibitor
has_related_synonym: cyclo-oxygenase 1 inhibitors
has_related_synonym: cyclooxygenase 1 inhibitors
has_related_synonym: cyclooxygenase-1 inhibitor
has_related_synonym: cyclooxygenase-1 inhibitors
has_related_synonym: prostaglandin G/H synthase 1 inhibitor
has_related_synonym: prostaglandin G/H synthase 1 inhibitors
has_related_synonym: prostaglandin H2 synthase 1 inhibitor
has_related_synonym: prostaglandin H2 synthase 1 inhibitors
has_related_synonym: prostaglandin-endoperoxide synthase 1 inhibitor
has_related_synonym: prostaglandin-endoperoxide synthase 1 inhibitors
imported from: chebi.owl

cross-linking reagent
type: Class
subclass of: reagent
definition: A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified.
id: CHEBI:50684
has_obo_namespace: chebi_ontology
has_related_synonym: cross-linking reagents
imported from: chebi.owl

oligosaccharide
type: Class
subclass of: carbohydrate
definition: A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues.
has_alternative_id: CHEBI:25679
has_alternative_id: CHEBI:35319
id: CHEBI:50699
has_alternative_id: CHEBI:7758
database_cross_reference: KEGG:C00930
has_related_synonym: O-glycosylglycoside
has_related_synonym: O-glycosylglycosides
has_exact_synonym: Oligosaccharide
has_related_synonym: an oligosaccharide
has_obo_namespace: chebi_ontology
has_related_synonym: oligosacarido
has_related_synonym: oligosacaridos
has_exact_synonym: oligosaccharides
imported from: chebi.owl

nutraceutical
type: Class
subclass of: drug
definition: A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
id: CHEBI:50733
has_related_synonym: Dietary Supplement
has_related_synonym: Food Supplementation
has_related_synonym: Nutritional supplement
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
type: Class
subclass of: topoisomerase inhibitor
definition: A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (topoisomerase II), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
has_alternative_id: CHEBI:50234
id: CHEBI:50750
has_related_synonym: DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor
has_related_synonym: DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors
has_related_synonym: DNA topoisomerase (ATP-hydrolysing) inhibitor
has_related_synonym: DNA topoisomerase (ATP-hydrolysing) inhibitors
has_related_synonym: DNA topoisomerase II inhibitor
has_related_synonym: DNA topoisomerase II inhibitors
has_related_synonym: EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor
has_related_synonym: EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors
has_related_synonym: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors
has_related_synonym: EC 5.99.1.3 inhibitor
has_related_synonym: EC 5.99.1.3 inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of type II topoisomerase
has_related_synonym: inhibitors of type II topoisomerase
has_related_synonym: topoisomerase II inhibitor
has_related_synonym: topoisomerase II inhibitors
has_related_synonym: topoisomerase-II inhibitor
has_related_synonym: topoisomerase-II inhibitors
has_related_synonym: type II DNA topoisomerase inhibitor
has_related_synonym: type II DNA topoisomerase inhibitors
imported from: chebi.owl

isoflavonoid
type: Class
subclass of: phenylpropanoid
subclass of: 1-benzopyran
subclass of: flavonoids
has_related_synonym: 3-aryl-1-benzopyran
has_related_synonym: 3-aryl-1-benzopyrans
definition: Any 1-benzopyran with an aryl substituent at position 3. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.
id: CHEBI:50753
database_cross_reference: MetaCyc:Isoflavonoids
database_cross_reference: Wikipedia:Isoflavonoid
has_obo_namespace: chebi_ontology
has_related_synonym: isoflavonoids
imported from: chebi.owl

immunomodulator
type: Class
subclass of: drug
subclass of: biological role
definition: Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
has_related_synonym: Biomodulator
id: CHEBI:50846
has_related_synonym: Immune factor
has_related_synonym: Immunologic factor
has_related_synonym: Immunological factor
database_cross_reference: Wikipedia:Immunotherapy
has_obo_namespace: chebi_ontology
has_related_synonym: immunomodulators
imported from: chebi.owl

immunological adjuvant
type: Class
subclass of: immunomodulator
subclass of: adjuvant
definition: A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.
id: CHEBI:50847
has_related_synonym: Immunoactivator
has_related_synonym: Immunoadjuvant
has_related_synonym: Immunologic adjuvant
has_related_synonym: Immunopotentiator
has_related_synonym: Immunostimulant
database_cross_reference: Wikipedia:Immunologic_adjuvant
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-furoate ester
type: Class
subclass of: carboxylic ester
subclass of: Restriction
  on property: has functional parent
  some values from: 2-furoic acid
has_exact_synonym: 2-furoate ester
definition: Any carboxylic ester where the carboxylic acid component is 2-furoic acid.
id: CHEBI:50856
has_obo_namespace: chebi_ontology
has_related_synonym: furan-2-carboxylate ester
has_related_synonym: furan-2-carboxylate esters
imported from: chebi.owl

organic molecular entity
type: Class
subclass of: carbon group molecular entity
subclass of: Restriction
  on property: has part
  some values from: carbon atom
definition: Any molecular entity that contains carbon.
has_alternative_id: CHEBI:25700
has_alternative_id: CHEBI:33244
id: CHEBI:50860
has_obo_namespace: chebi_ontology
has_related_synonym: organic compounds
has_related_synonym: organic entity
has_related_synonym: organic molecular entities
imported from: chebi.owl

genotoxin
type: Class
subclass of: aetiopathogenetic role
definition: A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
id: CHEBI:50902
database_cross_reference: Wikipedia:Genotoxicity
has_obo_namespace: chebi_ontology
has_related_synonym: genotoxic agent
has_related_synonym: genotoxic agents
has_related_synonym: genotoxins
imported from: chebi.owl

carcinogenic agent
type: Class
subclass of: aetiopathogenetic role
definition: A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
id: CHEBI:50903
has_related_synonym: agente carcinogeno
has_related_synonym: cancerigene
has_related_synonym: cancerogene
has_related_synonym: carcinogen
has_related_synonym: carcinogene
has_related_synonym: carcinogenic agents
has_related_synonym: carcinogeno
has_related_synonym: carcinogens
has_obo_namespace: chebi_ontology
imported from: chebi.owl

allergen
type: Class
subclass of: aetiopathogenetic role
definition: A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
id: CHEBI:50904
database_cross_reference: Wikipedia:Allergen
has_related_synonym: alergeno
has_related_synonym: allergene
has_related_synonym: allergenic agent
has_obo_namespace: chebi_ontology
imported from: chebi.owl

teratogenic agent
type: Class
subclass of: aetiopathogenetic role
definition: A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
id: CHEBI:50905
has_related_synonym: agent teratogene
has_obo_namespace: chebi_ontology
has_related_synonym: teratogen
has_related_synonym: teratogeno
imported from: chebi.owl

hepatotoxic agent
type: Class
subclass of: aetiopathogenetic role
definition: A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
id: CHEBI:50908
has_related_synonym: agente hepatotoxico
has_obo_namespace: chebi_ontology
has_related_synonym: hepatotoxicant
has_related_synonym: hepatoxic agent
has_related_synonym: hepatoxicant
imported from: chebi.owl

neurotoxin
type: Class
subclass of: aetiopathogenetic role
subclass of: poison
definition: A poison that interferes with the functions of the nervous system.
id: CHEBI:50910
has_alternative_id: CHEBI:50911
database_cross_reference: Wikipedia:Neurotoxin
has_related_synonym: agente neurotoxico
has_obo_namespace: chebi_ontology
has_related_synonym: nerve poison
has_related_synonym: nerve poisons
has_related_synonym: neurotoxic agent
has_related_synonym: neurotoxic agents
has_related_synonym: neurotoxicant
has_related_synonym: neurotoxins
imported from: chebi.owl

angiogenesis modulating agent
type: Class
subclass of: drug
definition: An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.
id: CHEBI:50926
has_obo_namespace: chebi_ontology
imported from: chebi.owl

secondary amino compound
type: Class
subclass of: organic amino compound
definition: A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
id: CHEBI:50995
has_obo_namespace: chebi_ontology
has_related_synonym: secondary amino compounds
imported from: chebi.owl

tertiary amino compound
type: Class
subclass of: organic amino compound
definition: A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
id: CHEBI:50996
has_obo_namespace: chebi_ontology
has_related_synonym: tertiary amino compounds
imported from: chebi.owl

macrocycle
type: Class
subclass of: cyclic compound
definition: A cyclic compound containing nine or more atoms as part of the cyclic system.
id: CHEBI:51026
has_related_synonym: Makrocyclen
has_related_synonym: Makrozyklen
database_cross_reference: Wikipedia:Macrocycle
has_obo_namespace: chebi_ontology
has_exact_synonym: macrocycle
has_related_synonym: macrocycles
has_related_synonym: makrocyclische Verbindungen
has_related_synonym: makrozyklische Verbindungen
imported from: chebi.owl

hormone agonist
type: Class
subclass of: agonist
subclass of: hormone receptor modulator
definition: A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
id: CHEBI:51060
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hormone receptor modulator
type: Class
subclass of: receptor modulator
definition: A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
id: CHEBI:51061
has_obo_namespace: chebi_ontology
has_related_synonym: hormone receptor modulators
imported from: chebi.owl

chemical role
type: Class
subclass of: role
definition: A role played by the molecular entity or part thereof within a chemical context.
id: CHEBI:51086
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fluorescent dye
type: Class
subclass of: dye
id: CHEBI:51121
has_obo_namespace: chebi_ontology
has_related_synonym: fluorescent dyes
imported from: chebi.owl

nitrogen molecular entity
type: Class
subclass of: pnictogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: nitrogen atom
has_alternative_id: CHEBI:25556
id: CHEBI:51143
has_alternative_id: CHEBI:7594
database_cross_reference: KEGG:C06061
has_related_synonym: Nitrogenous compounds
has_obo_namespace: chebi_ontology
has_related_synonym: nitrogen compounds
has_related_synonym: nitrogen molecular entities
imported from: chebi.owl

dipolar compound
type: Class
subclass of: organic molecule
definition: An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case.
id: CHEBI:51151
has_obo_namespace: chebi_ontology
has_related_synonym: dipolar compounds
imported from: chebi.owl

acenes
type: Class
subclass of: benzenoid aromatic compound
id: CHEBI:51269
definition: Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

thioester
type: Class
subclass of: thiocarboxylic ester
subclass of: carbonyl compound
has_related_synonym: 60.07500
definition: A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'.
id: CHEBI:51277
has_related_synonym: COSR2
has_related_synonym: [*]C(=O)S[*]
has_obo_namespace: chebi_ontology
has_related_synonym: thio ester
has_related_synonym: thioesters
has_related_synonym: thiol ester
imported from: chebi.owl

acenoquinone
type: Class
subclass of: quinone
subclass of: acenes
id: CHEBI:51285
definition: Quinones containing an acene fused ring system.
has_exact_synonym: acenoquinone
has_related_synonym: acenoquinones
has_obo_namespace: chebi_ontology
imported from: chebi.owl

diester
type: Class
subclass of: ester
definition: A diester is a compound containing two ester groups.
id: CHEBI:51307
has_obo_namespace: chebi_ontology
has_exact_synonym: diester
has_related_synonym: diesters
imported from: chebi.owl

GABA agent
type: Class
subclass of: neurotransmitter agent
definition: A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems.
id: CHEBI:51374
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organodiyl group
type: Class
subclass of: organic divalent group
definition: Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s).
id: CHEBI:51422
has_obo_namespace: chebi_ontology
has_related_synonym: organodiyl groups
imported from: chebi.owl

organic divalent group
type: Class
subclass of: organic group
id: CHEBI:51446
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic univalent group
type: Class
subclass of: organic group
id: CHEBI:51447
has_obo_namespace: chebi_ontology
has_related_synonym: organic monovalent group
imported from: chebi.owl

dimethoxybenzene
type: Class
subclass of: methoxybenzene
definition: Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.
id: CHEBI:51681
has_obo_namespace: chebi_ontology
has_related_synonym: dimethoxybenzenes
imported from: chebi.owl

methoxybenzene
type: Class
subclass of: benzenes
subclass of: aromatic ether
definition: Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups.
id: CHEBI:51683
has_obo_namespace: chebi_ontology
has_related_synonym: methoxybenzenes
imported from: chebi.owl

enal
type: Class
subclass of: alpha,beta-unsaturated aldehyde
subclass of: olefinic compound
has_related_synonym: 53.03940
definition: An alpha,beta-unsaturated aldehyde of general formula R(1)R(2)C=CR(3)-CH=O in which the aldehydic C=O function is conjugated to a C=C double bond at the alpha,beta position.
has_related_synonym: C3HOR3
id: CHEBI:51688
has_related_synonym: [H]C(=O)C(\[*])=C(/[*])[*]
has_obo_namespace: chebi_ontology
has_related_synonym: enals
imported from: chebi.owl

enone
type: Class
subclass of: alpha,beta-unsaturated ketone
subclass of: olefinic compound
has_related_synonym: 52.03150
definition: An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position.
has_related_synonym: C3OR4
id: CHEBI:51689
database_cross_reference: Wikipedia:Enone
has_related_synonym: [*]\C([*])=C(\[*])C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: enones
imported from: chebi.owl

enoate ester
type: Class
subclass of: alpha,beta-unsaturated carboxylic ester
subclass of: olefinic compound
has_related_synonym: 68.03090
definition: An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
has_related_synonym: C3O2R4
id: CHEBI:51702
has_related_synonym: [*]\C([*])=C(\[*])C(=O)O[*]
has_obo_namespace: chebi_ontology
has_related_synonym: enoate
has_related_synonym: enoate esters
has_related_synonym: enoates
imported from: chebi.owl

friedelin
type: Class
subclass of: pentacyclic triterpenoid
subclass of: cyclic terpene ketone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: non-narcotic analgesic
subclass of: Restriction
  on property: has role
  some values from: antipyretic
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory drug
has_related_synonym: (-)-friedelin
has_exact_synonym: (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2H)-one
has_related_synonym: 426.71740
definition: A pentacyclic triterpenoid that is perhydropicene which is substituted by an oxo group at position 3 and by methyl groups at the 4, 4a, 6b, 8a, 11, 11, 12b, and 14a-positions (the 4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS-enantiomer). It is the major triterpenoid constituent of cork.
has_related_synonym: C30H50O
database_cross_reference: CAS:559-74-0
id: CHEBI:5171
has_related_synonym: D:A-friedooleanan-3-one
has_related_synonym: InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
database_cross_reference: KEGG:C08626
database_cross_reference: KNApSAcK:C00003747
database_cross_reference: MetaCyc:CPD-13047
has_related_synonym: OFMXGFHWLZPCFL-SVRPQWSVSA-N
database_cross_reference: PMID:17639555
database_cross_reference: PMID:20610397
database_cross_reference: PMID:20675291
database_cross_reference: PMID:21718291
database_cross_reference: Patent:WO2009072916
has_obo_namespace: chebi_ontology
has_related_synonym: friedelan-3-one
has_exact_synonym: friedelin
has_related_synonym: friedeline
imported from: chebi.owl

alpha,beta-unsaturated aldehyde
type: Class
subclass of: aldehyde
definition: An aldehyde of general formula R(1)R(2)C=CR(3)-CH=O or RC#C-CH=O in which the aldehydic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.
id: CHEBI:51718
has_related_synonym: alpha,beta-unsaturated aldehydes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha,beta-unsaturated ketone
type: Class
subclass of: ketone
definition: A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.
id: CHEBI:51721
has_related_synonym: alpha,beta-unsaturated ketones
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha,beta-unsaturated carboxylic ester
type: Class
subclass of: carboxylic ester
definition: A carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) or R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.
id: CHEBI:51737
has_related_synonym: alpha,beta-unsaturated carboxylic esters
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha,beta-unsaturated carboxylic acid amide
type: Class
subclass of: carboxamide
definition: A monocarboxylic amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) or R(1)C#C-C(=O)NR(2)R(3) in which the amide C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.
id: CHEBI:51750
has_related_synonym: alpha,beta-unsaturated amide
has_related_synonym: alpha,beta-unsaturated carboxamide
has_related_synonym: alpha,beta-unsaturated monocarboxylic acid amide
has_related_synonym: alpha,beta-unsaturated monocarboxylic acid amides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

enamide
type: Class
subclass of: alpha,beta-unsaturated carboxylic acid amide
subclass of: olefinic compound
has_related_synonym: 66.03820
definition: An alpha,beta-unsaturated carboxylic acid amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) in which the amide C=O function is conjugated to a C=C double bond at the alpha,beta position.
has_related_synonym: C3NOR5
id: CHEBI:51751
has_related_synonym: [*]\C([*])=C(\[*])C(=O)N([*])[*]
has_obo_namespace: chebi_ontology
has_related_synonym: enamides
imported from: chebi.owl

organic heterohexacyclic compound
type: Class
subclass of: organic heteropolycyclic compound
id: CHEBI:51914
has_obo_namespace: chebi_ontology
has_related_synonym: organic heterohexacyclic compounds
imported from: chebi.owl

heptadienal
type: Class
subclass of: enal
definition: An seven carbon-enal containing one extra C=C double bond, which may or may not be conjugated with the aldehydic C=O and alpha,beta-double bond systems.
id: CHEBI:51921
has_obo_namespace: chebi_ontology
has_related_synonym: heptadienals
imported from: chebi.owl

organic polycyclic compound
type: Class
subclass of: polycyclic compound
subclass of: organic cyclic compound
id: CHEBI:51958
has_obo_namespace: chebi_ontology
has_related_synonym: organic polycyclic compounds
imported from: chebi.owl

organic tricyclic compound
type: Class
subclass of: organic polycyclic compound
id: CHEBI:51959
has_obo_namespace: chebi_ontology
has_related_synonym: organic tricyclic compounds
imported from: chebi.owl

Futoquinol
type: Class
subclass of: monoterpenoid
has_related_synonym: 354.397
definition: A monoterpenoid that has formula C21H22O5.
has_related_synonym: AOZTYYBGNNXAOI-NTEUORMPSA-N
has_related_synonym: C21H22O5
database_cross_reference: CAS:28178-92-9
id: CHEBI:5203
has_exact_synonym: Futoquinol
has_related_synonym: InChI=1S/C21H22O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-12H,1,6,13H2,2-4H3/b14-9+
database_cross_reference: KEGG:C10574
database_cross_reference: KNApSAcK:C00002604
has_obo_namespace: chebi_ontology
imported from: chebi.owl

5-hydroxyfurocoumarin
type: Class
subclass of: furanocoumarin
has_related_synonym: 197.12320
has_related_synonym: 5-hydroxyfuranocoumarin
has_related_synonym: 5-hydroxyfuranocoumarins
has_related_synonym: 5-hydroxyfurocoumarins
definition: A furanocoumarin which bears a hydroxy group at position 5.
has_related_synonym: C11HO4R5
id: CHEBI:52058
has_related_synonym: a 5-hydroxyfurocoumarin
has_related_synonym: an 5-hydroxyfurocoumarin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

methoxide
type: Class
subclass of: organic anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: methanol
has_related_synonym: 31.03390
definition: An organic anion that is the conjugate base of methanol.
has_related_synonym: CH3O
id: CHEBI:52090
has_related_synonym: C[O-]
has_related_synonym: InChI=1S/CH3O/c1-2/h1H3/q-1
has_related_synonym: NBTOZLQBSIZIKS-UHFFFAOYSA-N
database_cross_reference: Reaxys:1839368
has_obo_namespace: chebi_ontology
has_related_synonym: methoxide ion
imported from: chebi.owl

ethoxide
type: Class
subclass of: organic anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: ethanol
has_related_synonym: 45.06050
definition: An organic anion that is the conjugate base of ethanol.
database_cross_reference: Beilstein:1839415
has_related_synonym: C2H5O
has_related_synonym: CC[O-]
id: CHEBI:52092
has_related_synonym: HHFAWKCIHAUFRX-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1
database_cross_reference: Reaxys:1839415
has_obo_namespace: chebi_ontology
has_related_synonym: ethoxy anion
imported from: chebi.owl

organic heteroheptacyclic compound
type: Class
subclass of: organic heteropolycyclic compound
id: CHEBI:52157
has_obo_namespace: chebi_ontology
imported from: chebi.owl

biochemical role
type: Class
subclass of: biological role
definition: A biological role played by the molecular entity or part thereof within a biochemical context.
id: CHEBI:52206
has_obo_namespace: chebi_ontology
imported from: chebi.owl

biophysical role
type: Class
subclass of: biological role
id: CHEBI:52208
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aetiopathogenetic role
type: Class
subclass of: biological role
definition: A role played by the molecular entity or part thereof which causes the development of a pathological process.
id: CHEBI:52209
has_obo_namespace: chebi_ontology
has_related_synonym: etiopathogenetic agent
has_related_synonym: etiopathogenetic role
imported from: chebi.owl

pharmacological role
type: Class
subclass of: biological role
definition: A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties.
id: CHEBI:52210
has_obo_namespace: chebi_ontology
imported from: chebi.owl

physiological role
type: Class
subclass of: biological role
id: CHEBI:52211
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ligand
type: Class
subclass of: chemical role
definition: Any molecule or ion capable of binding to a central metal atom to form coordination complexes.
id: CHEBI:52214
database_cross_reference: Wikipedia:Ligand
has_obo_namespace: chebi_ontology
has_related_synonym: ligands
imported from: chebi.owl

pharmaceutical
type: Class
subclass of: application
definition: Any substance introduced into a living organism with therapeutic or diagnostic purpose.
has_alternative_id: CHEBI:33293
has_alternative_id: CHEBI:33294
id: CHEBI:52217
has_obo_namespace: chebi_ontology
has_related_synonym: farmaco
has_related_synonym: medicament
has_related_synonym: pharmaceuticals
imported from: chebi.owl

7-hydroxyflavonol
type: Class
subclass of: flavonols
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 7-hydroxyflavon-3-olate
has_related_synonym: 250.20570
has_related_synonym: 7-hydroxy-flavonols
definition: Any flavonol carrying a 7-hydroxy substituent.
has_related_synonym: C15H6O4R4
id: CHEBI:52267
has_related_synonym: Oc1cc([*])c2c(c1)oc(-c1cc([*])c([*])c([*])c1)c(O)c2=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sterol methyltransferase inhibitor
type: Class
subclass of: EC 2.1.1.* (methyltransferases) inhibitor
definition: An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of sterol methyltransferase.
id: CHEBI:52303
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 3.2.1.* (glycosidase) inhibitor
type: Class
subclass of: EC 3.2.* (glycosylase) inhibitor
definition: An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*).
id: CHEBI:52424
has_alternative_id: CHEBI:76776
has_related_synonym: EC 3.2.1.* (glycosidase) inhibitors
has_related_synonym: EC 3.2.1.* inhibitor
has_related_synonym: EC 3.2.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: glycosidase (EC 3.2.1.*) inhibitor
has_related_synonym: glycosidase (EC 3.2.1.*) inhibitors
has_related_synonym: glycosidase inhibitor
has_related_synonym: glycosidase inhibitors
has_related_synonym: glycoside hydrolase inhibitors
imported from: chebi.owl

galactolipid
type: Class
subclass of: glycolipid
definition: A glycolipid and which the glyco component is specified as galactosyl.
id: CHEBI:5254
has_related_synonym: a galactolipid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetracyclic diterpenoid
type: Class
subclass of: diterpenoid
definition: A diterpenoid with a tetracyclic skeleton.
id: CHEBI:52557
has_obo_namespace: chebi_ontology
has_related_synonym: tetracyclic diterpenoids
imported from: chebi.owl

2-hydroxy carboxylic acid
type: Class
subclass of: hydroxy carboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 2-hydroxy carboxylate
has_related_synonym: 2-Hydroxy carboxylate
has_related_synonym: 75.04340
has_related_synonym: C2H3O3R
has_alternative_id: CHEBI:1111
has_alternative_id: CHEBI:13592
id: CHEBI:52618
database_cross_reference: KEGG:C02929
has_related_synonym: OC([*])C(O)=O
has_related_synonym: a 2-hydroxy carboxylic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 3.1.26.13 (retroviral ribonuclease H) inhibitor
type: Class
subclass of: anti-HIV-1 agent
subclass of: EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor
definition: An inhibitor of ribonuclease H (EC 3.1.26.13), an enzyme required for specific hydrolysis of the RNA strand of an RNA/DNA hybrid.
id: CHEBI:52629
has_related_synonym: EC 3.1.26.13 (retroviral ribonuclease H) inhibitors
has_related_synonym: EC 3.1.26.13 inhibitor
has_related_synonym: EC 3.1.26.13 inhibitors
has_related_synonym: HIV RNase H inhibitor
has_related_synonym: HIV RNase H inhibitors
has_related_synonym: HIV-1 RNase H inhibitor
has_related_synonym: HIV-1 RNase H inhibitors
has_related_synonym: HIV-1 ribonuclease H inhibitor
has_related_synonym: HIV-1 ribonuclease H inhibitors
has_related_synonym: RT/RNase H inhibitor
has_related_synonym: RT/RNase H inhibitors
database_cross_reference: Wikipedia:Retroviral_ribonuclease_H
has_obo_namespace: chebi_ontology
has_related_synonym: retroviral reverse transcriptase RNaseH inhibitor
has_related_synonym: retroviral reverse transcriptase RNaseH inhibitors
has_related_synonym: retroviral ribonuclease H (EC 3.1.26.13) inhibitor
has_related_synonym: retroviral ribonuclease H (EC 3.1.26.13) inhibitors
has_related_synonym: retroviral ribonuclease H inhibitor
imported from: chebi.owl

cyclic organic group
type: Class
subclass of: organic group
definition: An organic group that consists of a closed ring. It may be a substituent or a skeleton.
id: CHEBI:52845
has_obo_namespace: chebi_ontology
has_related_synonym: cyclic organic groups
imported from: chebi.owl

azamacrocycle
type: Class
subclass of: macrocycle
definition: A cyclic macromolecule containing one or more nitrogen atoms in place of carbon either as the divalent group NH for the group CH2 or a single trivalent nitrogen atom for the group CH.
id: CHEBI:52898
has_related_synonym: aza macrocycle
has_related_synonym: aza macrocyclic compound
has_related_synonym: aza-macrocycle
has_related_synonym: azamacrocycles
has_obo_namespace: chebi_ontology
imported from: chebi.owl

epitope
type: Class
subclass of: biological role
id: CHEBI:53000
definition: The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
has_related_synonym: antigenic determinant
has_obo_namespace: chebi_ontology
has_related_synonym: epitope function
has_related_synonym: epitope role
imported from: chebi.owl

polyanionic macromolecule
type: Class
subclass of: ionic macromolecule
definition: A polymer carrying multiple negative charges.
id: CHEBI:53309
has_obo_namespace: chebi_ontology
has_related_synonym: polyanion
has_related_synonym: polyanions
imported from: chebi.owl

olefinic fatty acid
type: Class
subclass of: unsaturated fatty acid
subclass of: olefinic compound
definition: Any fatty acid containing at least one C=C double bond.
id: CHEBI:53339
database_cross_reference: PMID:832335
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ionic macromolecule
type: Class
subclass of: macromolecule
definition: A macromolecule containing ionic groups.
id: CHEBI:53368
has_obo_namespace: chebi_ontology
has_related_synonym: ionic polymer
has_related_synonym: polyionic macromolecule
imported from: chebi.owl

kaurane diterpenoid
type: Class
subclass of: diterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: kaurane
definition: A diterpenoid compound having a kaurane skeleton.
id: CHEBI:53666
has_obo_namespace: chebi_ontology
has_related_synonym: kaurane diterpenoids
imported from: chebi.owl

HIV-1 reverse transcriptase inhibitor
type: Class
subclass of: EC 3.1.26.13 (retroviral ribonuclease H) inhibitor
definition: An entity which inhibits the activity of HIV-1 reverse transcriptase.
id: CHEBI:53756
has_related_synonym: HIV-1 reverse transcriptase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: reverse transcriptase inhibitor
has_related_synonym: reverse transcriptase inhibitors
imported from: chebi.owl

antidiarrhoeal drug
type: Class
subclass of: gastrointestinal drug
definition: Any drug found useful in the symptomatic treatment of diarrhoea.
id: CHEBI:55323
has_related_synonym: antidiarrheal
has_related_synonym: antidiarrheal agent
has_related_synonym: antidiarrheal agents
has_related_synonym: antidiarrheal drug
has_related_synonym: antidiarrheal drugs
has_related_synonym: antidiarrheals
has_related_synonym: antidiarrhoeal
has_related_synonym: antidiarrhoeal agent
has_related_synonym: antidiarrhoeal agents
has_related_synonym: antidiarrhoeal drugs
has_related_synonym: antidiarrhoeals
has_related_synonym: antiperistaltic
has_related_synonym: antiperistaltic agent
has_related_synonym: antiperistaltic agents
has_related_synonym: antiperistaltic drug
has_related_synonym: antiperistaltic drugs
has_related_synonym: antiperistaltics
has_obo_namespace: chebi_ontology
imported from: chebi.owl

gastrointestinal drug
type: Class
subclass of: drug
definition: A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
id: CHEBI:55324
has_obo_namespace: chebi_ontology
has_related_synonym: gastrointestinal agent
has_related_synonym: gastrointestinal agents
has_related_synonym: gastrointestinal drugs
imported from: chebi.owl

7-hydroxyisoflavones
type: Class
subclass of: hydroxyisoflavone
definition: A hydroxyisoflavone compound having a hydroxy group at the 7-position.
id: CHEBI:55465
database_cross_reference: MetaCyc:7-hydroxyisoflavones
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hemiacetal
type: Class
subclass of: alcohol
has_related_synonym: 46.025
definition: A compound having the general formula RR'C(OH)OR'' (R'' =/= H).
has_related_synonym: CH2O2R2
id: CHEBI:5653
has_exact_synonym: Hemiacetal
has_obo_namespace: chebi_ontology
has_exact_synonym: hemiacetals
has_related_synonym: hemiacetals
imported from: chebi.owl

heterocyclic compound
type: Class
subclass of: cyclic compound
definition: A cyclic compound having as ring members atoms of at least two different elements.
id: CHEBI:5686
has_exact_synonym: Heterocyclic compound
has_obo_namespace: chebi_ontology
has_related_synonym: compuesto heterociclico
has_related_synonym: compuestos heterociclicos
has_related_synonym: heterocycle
has_related_synonym: heterocyclic compounds
imported from: chebi.owl

coenzyme A(4-)
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: coenzyme A
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
has_exact_synonym: 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
has_related_synonym: 763.50200
database_cross_reference: Beilstein:11604429
has_related_synonym: C21H32N7O16P3S
id: CHEBI:57287
has_related_synonym: CoA
has_related_synonym: RGJOEKWQDUBAIZ-IBOSZNHHSA-J
definition: Tetraanion of coenzyme A.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glycine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: glycine
has_exact_synonym: 2-azaniumylacetate
has_related_synonym: 75.06660
definition: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine.
has_related_synonym: C2H5NO2
id: CHEBI:57305
has_related_synonym: DHMQDGOQFOQNFH-UHFFFAOYSA-N
database_cross_reference: Gmelin:1807
has_related_synonym: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
database_cross_reference: MetaCyc:GLY
has_related_synonym: [NH3+]CC([O-])=O
has_obo_namespace: chebi_ontology
has_related_synonym: glycine
imported from: chebi.owl

3-oxo-fatty acyl-CoA(4-)
type: Class
subclass of: fatty acyl-CoA(4-)
subclass of: 3-oxoacyl-CoA(4-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-oxo-fatty acyl-CoA
has_related_synonym: 3-ketoacyl-CoA
has_related_synonym: 3-ketoacyl-coenzyme A
has_related_synonym: 3-oxo-fatty acyl-CoA
has_related_synonym: 3-oxoacyl-coenzyme A
definition: An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of any 3-oxo-fatty acyl-CoA.
has_related_synonym: C24H33N7O18P3SR
id: CHEBI:57347
database_cross_reference: MetaCyc:3-KETOACYL-COA
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: luteolin
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate
has_related_synonym: 285.22840
definition: A flavonoid oxoanion that is the conjugate base of luteolin, arising from selective deprotonation of the 7-hydroxy group.
has_related_synonym: C15H9O6
id: CHEBI:57545
has_related_synonym: IQPNAANSBPBGFQ-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H/p-1
database_cross_reference: MetaCyc:5734-TETRAHYDROXYFLAVONE
has_related_synonym: Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc([O-])cc2o1
has_obo_namespace: chebi_ontology
has_related_synonym: luteolin
has_related_synonym: luteolin-7-olate anion
imported from: chebi.owl

long-chain fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: long-chain fatty acid
definition: A fatty acid anion with a chain length of C13 or greater.
has_alternative_id: CHEBI:13652
id: CHEBI:57560
has_related_synonym: CO2R
has_related_synonym: [O-]C([*])=O
has_related_synonym: a long-chain carboxylate
has_related_synonym: a long-chain fatty acid
has_obo_namespace: chebi_ontology
has_related_synonym: long-chain fatty acid anions
imported from: chebi.owl

chlorogenate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: chlorogenic acid
subclass of: Restriction
  on property: has functional parent
  some values from: (-)-quinate
has_exact_synonym: (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate
has_related_synonym: 353.30080
definition: A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
database_cross_reference: Beilstein:6097142
has_related_synonym: C16H17O9
has_alternative_id: CHEBI:23144
id: CHEBI:57644
has_related_synonym: CWVRJTMFETXNAD-JUHZACGLSA-M
has_related_synonym: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+/t11-,12-,14-,16+/m1/s1
has_obo_namespace: chebi_ontology
has_related_synonym: chlorogenate anion
imported from: chebi.owl

quercetin-7-olate
type: Class
subclass of: flavonol oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: quercetin
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate
has_related_synonym: 301.22830
has_related_synonym: C15H9O7
id: CHEBI:57694
definition: Conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
has_related_synonym: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1
has_related_synonym: Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1O
has_related_synonym: REFJWTPEDVJJIY-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: quercetin
has_related_synonym: quercetin anion
imported from: chebi.owl

D-threonine zwitterion
type: Class
subclass of: D-alpha-amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: D-threonine
has_exact_synonym: (2R,3S)-2-azaniumyl-3-hydroxybutanoate
has_related_synonym: 119.11920
definition: A D-alpha-amino acid zwitterion that is D-threonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
has_related_synonym: AYFVYJQAPQTCCC-STHAYSLISA-N
has_related_synonym: C4H9NO3
id: CHEBI:57757
has_related_synonym: C[C@H](O)[C@@H]([NH3+])C([O-])=O
has_related_synonym: D-threonine
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

trans-caffeate
type: Class
subclass of: hydroxy monocarboxylic acid anion
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: trans-caffeic acid
has_related_synonym: (2E)-3-(3,4-dihydroxyphenyl)acrylate
has_exact_synonym: (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
has_related_synonym: 179.14950
has_related_synonym: 3,4-dihydroxy-trans-cinnamate
database_cross_reference: Beilstein:8986917
has_related_synonym: C9H7O4
id: CHEBI:57770
database_cross_reference: Gmelin:1824843
has_related_synonym: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2+
has_related_synonym: Oc1ccc(\C=C\C([O-])=O)cc1O
has_related_synonym: QAIPRVGONGVQAS-DUXPYHPUSA-M
definition: The conjugate base of trans-caffeic acid; major species at pH 7.3.
has_obo_namespace: chebi_ontology
has_exact_synonym: trans-caffeate
has_related_synonym: trans-caffeate anion
has_related_synonym: trans-caffeate(1-)
imported from: chebi.owl

spermidine(3+)
type: Class
subclass of: organic cation
subclass of: ammonium ion
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: spermidine
has_exact_synonym: (4-azaniumylbutyl)(3-azaniumylpropyl)azanium
has_related_synonym: 148.26970
has_related_synonym: ATHGHQPFGPMSJY-UHFFFAOYSA-Q
definition: An ammonium ion that is the trication of spermidine, formed by protonation at all three nitrogens.
has_related_synonym: C7H22N3
id: CHEBI:57834
has_related_synonym: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3
database_cross_reference: MetaCyc:SPERMIDINE
has_related_synonym: N-(3-ammoniopropyl)butane-1,4-diaminium
has_related_synonym: [NH3+]CCCC[NH2+]CCC[NH3+]
has_obo_namespace: chebi_ontology
has_related_synonym: spermidine
imported from: chebi.owl

nucleoside 5'-phosphate dianion
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: nucleoside 5'-phosphate
has_related_synonym: 194.07920
has_related_synonym: C5H7O6PR2
id: CHEBI:57867
definition: The conjugate base of a nucleoside 5'-phosphate.
has_related_synonym: a nucleoside 5'-phosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside 5'-phosphate dianions
imported from: chebi.owl

tryptaminium
type: Class
subclass of: ammonium ion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: tryptamine
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_related_synonym: 161.22310
has_exact_synonym: 2-(1H-indol-3-yl)ethanaminium
has_related_synonym: APJYDQYYACXCRM-UHFFFAOYSA-O
definition: An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3.
has_related_synonym: C10H13N2
id: CHEBI:57887
database_cross_reference: Gmelin:533978
has_related_synonym: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
has_related_synonym: [NH3+]CCc1c[nH]c2ccccc12
has_obo_namespace: chebi_ontology
has_related_synonym: tryptamine
has_related_synonym: tryptaminium cation
has_related_synonym: tryptaminium(1+)
imported from: chebi.owl

L-threonine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: L-threonine
has_related_synonym: (2S,3R)-2-ammonio-3-hydroxybutanoate
has_exact_synonym: (2S,3R)-2-azaniumyl-3-hydroxybutanoate
has_related_synonym: 119.11920
has_related_synonym: AYFVYJQAPQTCCC-GBXIJSLDSA-N
has_related_synonym: C4H9NO3
id: CHEBI:57926
has_related_synonym: C[C@@H](O)[C@H]([NH3+])C([O-])=O
database_cross_reference: Gmelin:2506280
has_related_synonym: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
has_related_synonym: L-threonine
definition: Zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleoside diphosphate(3-)
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: nucleoside diphosphate
has_related_synonym: 305.09310
has_related_synonym: C5H8O10P2R
id: CHEBI:57930
has_related_synonym: C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
has_related_synonym: NDP trianion
has_related_synonym: NDP(3-)
definition: Trianion of nucleoside diiphosphate arising from deprotonation of all three free OH groups of the diphosphate; major species at pH 7.3.
has_related_synonym: a ribonucleoside 5'-diphosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside diphosphate trianion
has_related_synonym: ribonucleoside diphosphate trianion
has_related_synonym: ribonucleoside diphosphate(3-)
imported from: chebi.owl

nucleoside 5'-monophosphate(2-)
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: nucleoside 5'-monophosphate
has_related_synonym: 211.08660
has_related_synonym: 5'-ribonucleotide(2-)
has_related_synonym: C5H8O7P
has_related_synonym: C5H8O7PR
id: CHEBI:58043
has_alternative_id: CHEBI:85513
has_related_synonym: O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1[*]
definition: The dianion of a nucleoside monophosphate: major species at pH 7.3.
has_related_synonym: a ribonucleoside 5'-phosphate
has_obo_namespace: chebi_ontology
has_related_synonym: nucleoside monophosphate anion
has_related_synonym: nucleoside monophosphate anions
has_related_synonym: nucleoside monophosphate dianion
has_related_synonym: nucleoside monophosphate dianions
imported from: chebi.owl

salutaridinium(1+)
type: Class
subclass of: organic cation
subclass of: ammonium ion
subclass of: Restriction
  on property: is conjugate acid of
  some values from: salutaridine
has_related_synonym: 328.38230
has_exact_synonym: 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium-7-one
has_related_synonym: C19H22NO4
id: CHEBI:58061
has_related_synonym: COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O
has_related_synonym: GVTRUVGBZQJVTF-YJYMSZOUSA-O
has_related_synonym: InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/p+1/t13-,19+/m1/s1
definition: The conjugate acid of salutaridine; major species at pH 7.3.
has_obo_namespace: chebi_ontology
has_related_synonym: salutaridine
has_related_synonym: salutaridine cation
has_related_synonym: salutaridine(1+)
has_related_synonym: salutaridinium cation
imported from: chebi.owl

quercitrin-7-olate
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: quercitrin
has_related_synonym: 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate
has_exact_synonym: 3-[(alpha-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate
has_related_synonym: 447.36900
has_related_synonym: C21H19O11
id: CHEBI:58192
has_related_synonym: C[C@@H]1O[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
definition: Conjugate base of quercitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
has_related_synonym: InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/p-1/t7-,15-,17+,18+,21-/m0/s1
database_cross_reference: MetaCyc:QUERCITRIN
has_related_synonym: OXGUCUVFOIWWQJ-HQBVPOQASA-M
has_obo_namespace: chebi_ontology
has_related_synonym: quercitrin
has_related_synonym: quercitrin-7-olate anion
has_related_synonym: quercitrin-7-olate(1-)
imported from: chebi.owl

(S)-naringenin(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: (S)-naringenin
has_exact_synonym: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-olate
has_related_synonym: (S)-naringenin anion
has_related_synonym: 271.24480
definition: A flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
has_related_synonym: C15H11O5
id: CHEBI:58292
has_related_synonym: FTVWIRXFELQLPI-ZDUSSCGKSA-M
has_related_synonym: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/p-1/t13-/m0/s1
database_cross_reference: MetaCyc:NARINGENIN-CMPD
has_related_synonym: Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Hypaconitine
type: Class
subclass of: diterpenoid
has_related_synonym: 615.712
definition: A diterpenoid that has formula C33H45NO10.
has_related_synonym: C33H45NO10
database_cross_reference: CAS:6900-87-4
id: CHEBI:5831
has_related_synonym: FIDOCHXHMJHKRW-VHQVDBNASA-N
has_exact_synonym: Hypaconitine
has_related_synonym: InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
database_cross_reference: KEGG:C08688
database_cross_reference: KNApSAcK:C00001644
has_obo_namespace: chebi_ontology
imported from: chebi.owl

isoorientin(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: isoorientin
has_exact_synonym: (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol
has_related_synonym: 447.36900
definition: A flavonoid oxoanion that is the conjugate base of isoorientin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
has_related_synonym: C21H19O11
id: CHEBI:58333
has_related_synonym: InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1
has_related_synonym: ODBRNZZJSYPIDI-VJXVFPJBSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: isoorientin 7-olate
has_related_synonym: isoorientin anion
imported from: chebi.owl

acyl-CoA(4-)
type: Class
subclass of: acyl-CoA oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: acyl-CoA
has_related_synonym: 790.50500
definition: An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of any acyl-CoA; major species at pH 7.3.
has_related_synonym: C22H31N7O17P3SR
id: CHEBI:58342
has_related_synonym: an acyl-CoA
has_obo_namespace: chebi_ontology
imported from: chebi.owl

histaminium
type: Class
subclass of: ammonium ion
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: histamine
subclass of: Restriction
  on property: has role
  some values from: human metabolite
has_related_synonym: 112.15300
has_exact_synonym: 2-(1H-imidazol-4-yl)ethanaminium
definition: An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen.
has_related_synonym: C5H10N3
id: CHEBI:58432
has_related_synonym: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1
has_related_synonym: NTYJJOPFIAHURM-UHFFFAOYSA-O
has_related_synonym: [NH3+]CCc1c[nH]cn1
has_obo_namespace: chebi_ontology
has_related_synonym: histamine
has_related_synonym: histaminium cation
imported from: chebi.owl

isovitexin-7-olate
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: isovitexin
has_exact_synonym: (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol
has_related_synonym: 431.36960
has_related_synonym: C21H19O10
id: CHEBI:58447
has_related_synonym: InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/p-1/t14-,17-,19+,20-,21+/m1/s1
has_related_synonym: MYXNWGACZJSMBT-VJXVFPJBSA-M
database_cross_reference: MetaCyc:ISOVITEXIN
definition: The 7-oxoanion of isovitexin.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

apigenin-7-olate
type: Class
subclass of: organic anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: apigenin
has_related_synonym: 269.22900
has_exact_synonym: 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate
database_cross_reference: Beilstein:6979399
has_related_synonym: C15H9O5
id: CHEBI:58470
has_related_synonym: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H/p-1
has_related_synonym: KZNIFHPLKGYRTM-UHFFFAOYSA-M
database_cross_reference: MetaCyc:CPD-431
has_related_synonym: Oc1ccc(cc1)-c1cc(=O)c2c(O)cc([O-])cc2o1
definition: The 7-oxoanion of apigenin
has_related_synonym: apigenin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

kaempferol oxoanion
type: Class
subclass of: flavonol oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: kaempferol
has_related_synonym: 285.22840
has_exact_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate
has_related_synonym: C15H9O6
id: CHEBI:58573
has_related_synonym: IYRMWMYZSQPJKC-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H/p-1
has_related_synonym: Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1[O-]
definition: The 3-oxoanion of kaempferol.
has_obo_namespace: chebi_ontology
has_related_synonym: kaempferol
imported from: chebi.owl

flavonol oxoanion
type: Class
subclass of: organic anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: flavonols
has_related_synonym: 232.19050
has_related_synonym: C15H4O3R5
id: CHEBI:58588
database_cross_reference: MetaCyc:Flavonols
definition: The conjugate base of a flavonol compound.
has_related_synonym: [O-]c1c(oc2cc([*])cc([*])c2c1=O)-c1cc([*])c([*])c([*])c1
has_related_synonym: a flavonol oxoanion
has_obo_namespace: chebi_ontology
has_related_synonym: flavonolate
imported from: chebi.owl

2-hydroxy carboxylate
type: Class
subclass of: hydroxy monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: 2-hydroxy carboxylic acid
has_related_synonym: 74.03550
has_related_synonym: C2H2O3R
id: CHEBI:58896
has_related_synonym: OC([*])C([O-])=O
definition: The conjugate base of a 2-hydroxy carboxylic acid.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organophosphate oxoanion
type: Class
subclass of: organic anion
subclass of: phosphoric acid derivative
definition: An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated.
id: CHEBI:58945
has_obo_namespace: chebi_ontology
has_related_synonym: organophosphate oxoanions
imported from: chebi.owl

acyl-CoA oxoanion
type: Class
subclass of: organophosphate oxoanion
definition: Any acyl coenzyme A thioester in which one or more of the phosphate and/or diphosphate groups has been deprotonated.
id: CHEBI:58946
has_related_synonym: acyl-CoA oxoanions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

very long-chain fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: very long-chain fatty acid
definition: Any fatty acid anion with a chain length greater than C22.
id: CHEBI:58950
has_related_synonym: CO2R
has_related_synonym: [O-]C([*])=O
has_related_synonym: a very long-chain fatty acid anion
has_obo_namespace: chebi_ontology
has_related_synonym: very long-chain fatty acid anions
imported from: chebi.owl

short-chain fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: short-chain fatty acid
definition: Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6).
id: CHEBI:58951
has_related_synonym: CO2R
has_related_synonym: [O-]C([*])=O
has_related_synonym: a short-chain fatty acid
has_obo_namespace: chebi_ontology
has_related_synonym: short-chain fatty acid anions
imported from: chebi.owl

saturated fatty acid anion
type: Class
subclass of: fatty acid anion
definition: Any fatty acid anion in which there is no C-C unsaturation.
id: CHEBI:58953
has_related_synonym: a saturated fatty acid
has_obo_namespace: chebi_ontology
has_related_synonym: saturated fatty acid anions
imported from: chebi.owl

straight-chain saturated fatty acid anion
type: Class
subclass of: saturated fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: straight-chain saturated fatty acid
definition: Any saturated fatty acid anion lacking a carbon side-chain.
id: CHEBI:58954
has_obo_namespace: chebi_ontology
has_related_synonym: straight-chain saturated fatty acid anions
imported from: chebi.owl

branched-chain fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: branched-chain fatty acid
definition: Any fatty acid anion with a carbon side-chain or isopropyl termination.
id: CHEBI:58955
has_related_synonym: a branched-chain fatty acid
has_related_synonym: branched-chain fatty acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

branched-chain saturated fatty acid anion
type: Class
subclass of: saturated fatty acid anion
subclass of: branched-chain fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: branched-chain saturated fatty acid
definition: Any saturated fatty acid anion with a carbon side-chain or isopropyl termination.
id: CHEBI:58956
has_related_synonym: branched-chain saturated fatty acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

neohesperidin
type: Class
subclass of: neohesperidoside
subclass of: monomethoxyflavanone
subclass of: dihydroxyflavanone
subclass of: 3'-hydroxyflavanones
subclass of: disaccharide derivative
subclass of: flavanone glycoside
subclass of: Restriction
  on property: has functional parent
  some values from: hesperetin
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_exact_synonym: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
has_related_synonym: (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
has_related_synonym: 610.56060
definition: A flavanone glycoside that is hesperitin having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group.
has_related_synonym: ARGKVCXINMKCAZ-UZRWAPQLSA-N
database_cross_reference: Beilstein:1279600
has_related_synonym: C28H34O15
database_cross_reference: CAS:13241-33-3
id: CHEBI:59016
has_alternative_id: CHEBI:7504
database_cross_reference: HMDB:HMDB30748
has_related_synonym: Hesperetin 7-O-neohesperidoside
has_related_synonym: InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
database_cross_reference: KEGG:C09806
database_cross_reference: KNApSAcK:C00000987
database_cross_reference: LIPID_MAPS_instance:LMPK12140452
database_cross_reference: MetaCyc:CPD-7074
has_exact_synonym: Neohesperidin
database_cross_reference: PMID:18045389
database_cross_reference: PMID:21950163
database_cross_reference: PMID:22102373
database_cross_reference: PMID:23285810
database_cross_reference: Reaxys:1279600
has_obo_namespace: chebi_ontology
imported from: chebi.owl

biomarker
type: Class
subclass of: indicator
definition: A substance used as an indicator of a biological state.
id: CHEBI:59163
has_related_synonym: biological marker
has_obo_namespace: chebi_ontology
imported from: chebi.owl

straight-chain fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: straight-chain fatty acid anion
definition: Any fatty acid whose skeletal carbon atoms form an unbranched open chain.
id: CHEBI:59202
has_obo_namespace: chebi_ontology
has_related_synonym: straight-chain fatty acids
imported from: chebi.owl

straight-chain fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: straight-chain fatty acid
definition: A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid.
id: CHEBI:59203
has_obo_namespace: chebi_ontology
has_related_synonym: straight-chain FA anion
has_related_synonym: straight-chain FA anions
has_related_synonym: straight-chain fatty acid anions
imported from: chebi.owl

essential fatty acid
type: Class
subclass of: polyunsaturated fatty acid
definition: Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement.
id: CHEBI:59549
has_related_synonym: EFA
has_related_synonym: EFAs
has_related_synonym: EFS
database_cross_reference: PMID:1745654
database_cross_reference: PMID:19034351
database_cross_reference: PMID:7609665
has_related_synonym: acides gras indispensables
has_related_synonym: acidos grasos esenciales
has_obo_namespace: chebi_ontology
has_related_synonym: essential fatty acids
has_related_synonym: essentielle Fettsaeuren
imported from: chebi.owl

medium-chain fatty acid
type: Class
subclass of: fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: medium-chain fatty acid anion
has_related_synonym: 45.01740
definition: Any fatty acid with a chain length of between C6 and C12.
id: CHEBI:59554
has_related_synonym: CHO2R
has_related_synonym: MCFA
has_related_synonym: MCFAs
has_related_synonym: OC([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: medium-chain fatty acids
imported from: chebi.owl

medium-chain fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: medium-chain fatty acid
definition: A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid.
id: CHEBI:59558
has_related_synonym: CO2R
has_related_synonym: MCFA anion
has_related_synonym: MCFA anions
has_related_synonym: [O-]C([*])=O
has_related_synonym: a medium chain fatty acid
has_obo_namespace: chebi_ontology
has_related_synonym: medium-chain FA anion
has_related_synonym: medium-chain FA anions
has_related_synonym: medium-chain fatty acid anions
imported from: chebi.owl

phosphoric acids
type: Class
subclass of: phosphorus oxoacid
id: CHEBI:59698
definition: Compounds containing one or more phosphoric acid units.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nucleophilic reagent
type: Class
subclass of: reagent
subclass of: Lewis base
definition: A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons.
id: CHEBI:59740
has_obo_namespace: chebi_ontology
has_related_synonym: nucleophile
has_related_synonym: nucleophiles
has_related_synonym: nucleophilic reagents
imported from: chebi.owl

aliphatic aldehyde
type: Class
subclass of: aldehyde
definition: An aldehyde derived from an aliphatic compound
id: CHEBI:59768
has_related_synonym: aliphatic aldehydes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

acetal
type: Class
subclass of: organooxygen compound
definition: An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ.
id: CHEBI:59769
has_related_synonym: acetals
has_obo_namespace: chebi_ontology
imported from: chebi.owl

cyclic acetal
type: Class
subclass of: acetal
definition: An acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring.
id: CHEBI:59770
has_obo_namespace: chebi_ontology
has_related_synonym: cyclic acetals
imported from: chebi.owl

L-alpha-amino acid anion
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: L-alpha-amino acid
has_related_synonym: 88.08520
has_related_synonym: C2H3NO2R
id: CHEBI:59814
has_related_synonym: C[C@H](N)C([O-])=O
definition: Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group.
has_related_synonym: L-alpha-amino carboxylate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hydroxy fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: hydroxy monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: hydroxy fatty acid
id: CHEBI:59835
has_related_synonym: OH-FA anion
has_related_synonym: OH-FA-anions
has_related_synonym: OH-fatty acid anion
has_related_synonym: OH-fatty acid anions
definition: The conjugate base of any hydroxy fatty acid, formed by deprotonation of the carboxylic acid moiety.
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxy fatty acid anions
imported from: chebi.owl

3-hydroxy fatty acid
type: Class
subclass of: hydroxy fatty acid
subclass of: 3-hydroxy monocarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-hydroxy fatty acid anion
has_related_synonym: 3-OH fatty acid
has_related_synonym: 3-OH fatty acids
has_related_synonym: 3-hydroxy fatty acids
has_related_synonym: 89.07000
definition: Any fatty acid with a hydroxy functional group in the beta- or 3-position. beta-Hydroxy fatty acids accumulate during cardiac hypoxia, and can also be used as chemical markers of bacterial endotoxins.
has_related_synonym: C3H5O3R
id: CHEBI:59845
has_related_synonym: OC([*])CC(O)=O
database_cross_reference: PMID:1226425
database_cross_reference: PMID:17392575
database_cross_reference: PMID:3094448
database_cross_reference: PMID:7406063
has_related_synonym: beta-OH fatty acid
has_related_synonym: beta-OH fatty acids
has_related_synonym: beta-hydroxy fatty acid
has_related_synonym: beta-hydroxy fatty acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

L-alpha-amino acid zwitterion
type: Class
subclass of: alpha-amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: L-alpha-amino acid
has_related_synonym: C2H4NO2R
id: CHEBI:59869
has_related_synonym: L-alpha-amino acid zwitterions
definition: Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group.
has_related_synonym: [NH3+][C@@H]([*])C([O-])=O
has_related_synonym: an L-amino acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-alpha-amino acid zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: D-alpha-amino acid
has_related_synonym: C2H4NO2R
id: CHEBI:59871
has_related_synonym: D-alpha-amino acid zwitterions
definition: Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group.
has_related_synonym: [NH3+][C@H]([*])C([O-])=O
has_related_synonym: a D-amino acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

gamma-aminobutyric acid zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: gamma-aminobutyric acid
has_related_synonym: 103.11980
has_related_synonym: 4-aminobutanoate
has_related_synonym: 4-ammoniobutanoate
has_exact_synonym: 4-azaniumylbutanoate
has_related_synonym: BTCSSZJGUNDROE-UHFFFAOYSA-N
has_related_synonym: C4H9NO2
id: CHEBI:59888
database_cross_reference: Gmelin:1041559
has_related_synonym: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
definition: Zwitterionic form of gamma-aminobutyric acid having an anionic carboxy group and a protonated amino group.
has_related_synonym: [NH3+]CCCC([O-])=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

columbianetin
type: Class
subclass of: furanocoumarin
subclass of: tertiary alcohol
has_related_synonym: (+-)-columbianetin
has_related_synonym: 246.25860
has_related_synonym: 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one
has_exact_synonym: 8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one
database_cross_reference: Beilstein:200954
has_related_synonym: C14H14O4
database_cross_reference: CAS:1147-29-1
has_related_synonym: CC(C)(O)C1Cc2c(O1)ccc1ccc(=O)oc21
id: CHEBI:59948
has_related_synonym: InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3
definition: The angular furanocoumarin analogue of the linear furanocoumarin marmesin.
has_related_synonym: YRAQEMCYCSSHJG-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.14.18.1 (tyrosinase) inhibitor
type: Class
subclass of: EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor
definition: Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
id: CHEBI:59997
has_related_synonym: EC 1.14.18.1 (tyrosinase) inhibitors
has_related_synonym: EC 1.14.18.1 inhibitor
has_related_synonym: EC 1.14.18.1 inhibitors
has_related_synonym: L-tyrosine,L-dopa:oxygen oxidoreductase inhibitor
has_related_synonym: L-tyrosine,L-dopa:oxygen oxidoreductase inhibitors
has_related_synonym: NN-acetyl-6-hydroxytryptophan oxidase inhibitor
has_related_synonym: NN-acetyl-6-hydroxytryptophan oxidase inhibitors
has_related_synonym: O-diphenol:O2 oxidoreductase inhibitor
has_related_synonym: O-diphenol:O2 oxidoreductase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: cresolase inhibitor
has_related_synonym: cresolase inhibitors
has_related_synonym: monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitor
has_related_synonym: monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitors
has_related_synonym: monophenol monooxidase inhibitor
has_related_synonym: monophenol monooxidase inhibitors
has_related_synonym: monophenol monooxygenase inhibitor
has_related_synonym: monophenol monooxygenase inhibitors
has_related_synonym: monophenol oxidase inhibitor
has_related_synonym: monophenol oxidase inhibitors
has_related_synonym: monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitor
has_related_synonym: monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitors
has_related_synonym: monophenolase inhibitor
has_related_synonym: monophenolase inhibitors
has_related_synonym: phenol oxidase inhibitor
has_related_synonym: phenol oxidase inhibitors
has_related_synonym: phenolase inhibitor
has_related_synonym: phenolase inhibitors
has_related_synonym: tyrosinase (EC 1.14.18.1) inhibitor
has_related_synonym: tyrosinase (EC 1.14.18.1) inhibitors
has_related_synonym: tyrosinase inhibitor
has_related_synonym: tyrosinase inhibitors
has_related_synonym: tyrosine-dopa oxidase inhibitor
has_related_synonym: tyrosine-dopa oxidase inhibitors
imported from: chebi.owl

chemical substance
type: Class
subclass of: chemical entity
definition: A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types.
id: CHEBI:59999
has_related_synonym: Chemische Substanz
has_obo_namespace: chebi_ontology
imported from: chebi.owl

mixture
type: Class
subclass of: chemical substance
definition: A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind.
id: CHEBI:60004
has_related_synonym: Mischung
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polymer
type: Class
subclass of: mixture
subclass of: Restriction
  on property: has part
  some values from: macromolecule
definition: A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc..
id: CHEBI:60027
has_related_synonym: Kunststoff
has_exact_synonym: Polymer
database_cross_reference: Wikipedia:Polymer
has_obo_namespace: chebi_ontology
imported from: chebi.owl

flavonoid oxoanion
type: Class
subclass of: organic anion
definition: Any anion arising from deprotonation of at least one OH group in a flavonoid compound.
id: CHEBI:60038
has_obo_namespace: chebi_ontology
has_related_synonym: flavonoid oxoanions
imported from: chebi.owl

7-hydroxyflavon-3-olate
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: 7-hydroxyflavonol
has_related_synonym: 249.19780
has_related_synonym: C15H5O4R4
id: CHEBI:60090
definition: Conjugate base of a 7-hydroxyflavonol compound arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3.
has_related_synonym: Oc1cc([*])c2c(c1)oc(-c1cc([*])c([*])c([*])c1)c([O-])c2=O
has_related_synonym: a 7-O-hydroxy-flavonol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ionic polymer
type: Class
subclass of: polymer
subclass of: Restriction
  on property: has part
  some values from: ionic macromolecule
definition: An ionic polymer is a polymer, composed of ionic macromolecules.
id: CHEBI:60164
has_obo_namespace: chebi_ontology
has_related_synonym: polyionic polymer
imported from: chebi.owl

divalent metal cation
type: Class
subclass of: metal cation
subclass of: divalent inorganic cation
definition: A metal cation with a valence of two.
id: CHEBI:60240
has_related_synonym: a divalent metal cation
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monovalent inorganic cation
type: Class
subclass of: inorganic cation
definition: An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one.
id: CHEBI:60242
has_related_synonym: a monovalent cation
has_obo_namespace: chebi_ontology
imported from: chebi.owl

silver ion
type: Class
subclass of: elemental silver
subclass of: inorganic ion
definition: A silver atom having a net electric charge.
id: CHEBI:60247
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nickel ion
type: Class
subclass of: inorganic ion
definition: A nickel atom having a net electric charge.
id: CHEBI:60248
has_obo_namespace: chebi_ontology
imported from: chebi.owl

silver cation
type: Class
subclass of: transition element cation
subclass of: silver ion
id: CHEBI:60253
has_obo_namespace: chebi_ontology
imported from: chebi.owl

indole alkaloid cation
type: Class
subclass of: organic cation
subclass of: ammonium ion
definition: Any cation arising from protonation of at least one of the amino functions in an indole alkaloid.
id: CHEBI:60521
has_obo_namespace: chebi_ontology
has_related_synonym: indole alkaloid cations
imported from: chebi.owl

Isosorbide
type: Class
subclass of: organic molecular entity
has_related_synonym: C6H10O4
database_cross_reference: CAS:652-67-5
id: CHEBI:6060
has_exact_synonym: Isosorbide
database_cross_reference: KEGG:D00347
has_obo_namespace: chebi_ontology
imported from: chebi.owl

NMDA receptor antagonist
type: Class
subclass of: excitatory amino acid antagonist
definition: Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs.
id: CHEBI:60643
has_alternative_id: CHEBI:60797
has_related_synonym: N-methyl-D-aspartate receptor antagonist
has_related_synonym: N-methyl-D-aspartate receptor antagonists
has_related_synonym: NMDA receptor antagonists
has_related_synonym: NMDAR antagonist
has_related_synonym: NMDAR antagonists
has_obo_namespace: chebi_ontology
imported from: chebi.owl

excitatory amino acid antagonist
type: Class
subclass of: antagonist
definition: Any substance which inhibits the action of receptors for excitatory amino acids.
id: CHEBI:60798
has_related_synonym: EAA receptor antagonist
has_related_synonym: EAA receptor antagonists
has_obo_namespace: chebi_ontology
has_related_synonym: excitatory amino acid antagonists
has_related_synonym: excitatory amino acid receptor antagonist
has_related_synonym: excitatory amino acid receptor antagonists
imported from: chebi.owl

adjuvant
type: Class
subclass of: pharmaceutical
definition: Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself.
id: CHEBI:60809
has_related_synonym: adjuvants
has_obo_namespace: chebi_ontology
imported from: chebi.owl

D-alpha-amino acid anion
type: Class
subclass of: alpha-amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: D-alpha-amino acid
has_related_synonym: 88.08520
definition: Any alpha-amino acid anion in which the parent amino acid has D-configuration.
has_related_synonym: C2H3NO2R
id: CHEBI:60895
has_related_synonym: C[C@@H](N)C([O-])=O
has_related_synonym: D-alpha-amino acid anions
has_related_synonym: D-alpha-amino carboxylate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

racemate
type: Class
subclass of: mixture
definition: A racemate is an equimolar mixture of a pair of enantiomers.
id: CHEBI:60911
has_obo_namespace: chebi_ontology
has_related_synonym: melange racemique
has_related_synonym: racemates
has_related_synonym: racemic mixture
imported from: chebi.owl

amino monosaccharide
type: Class
subclass of: amino sugar
definition: Any amino sugar that is a monosaccharide in which one alcoholic hydroxy group is replaced by an amino group.
id: CHEBI:60926
has_related_synonym: amino monosaccharides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Kadsurenone
type: Class
subclass of: benzofurans
has_related_synonym: 356.413
definition: A benzofuran that has formula C21H24O5.
has_related_synonym: C21H24O5
database_cross_reference: CAS:95851-37-9
id: CHEBI:6097
has_related_synonym: InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
database_cross_reference: KEGG:C10638
database_cross_reference: KNApSAcK:C00000719
has_exact_synonym: Kadsurenone
has_related_synonym: VDYACOATPFOZIO-UBWHGVKJSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-glucoside
type: Class
subclass of: glucoside
definition: A glucoside in which the anomeric carbon of the glycosidic bond is in a beta configuration
id: CHEBI:60980
has_related_synonym: beta-glucosides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

purine nucleoside bisphosphate
type: Class
subclass of: purines
subclass of: nucleoside bisphosphate
definition: A nucleoside bisphosphate that has a purine nucleobase.
id: CHEBI:61078
has_obo_namespace: chebi_ontology
has_related_synonym: purine nucleoside bisphosphates
imported from: chebi.owl

ribonucleoside bisphosphate
type: Class
subclass of: nucleoside bisphosphate
definition: A nucleoside bisphosphate where sugar of the nucleoside is ribose.
id: CHEBI:61079
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleoside bisphosphates
imported from: chebi.owl

EC 3.5.1.98 (histone deacetylase) inhibitor
type: Class
subclass of: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
definition: An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
id: CHEBI:61115
has_related_synonym: EC 3.5.1.98 (histone deacetylase) inhibitors
has_related_synonym: EC 3.5.1.98 inhibitor
has_related_synonym: EC 3.5.1.98 inhibitors
has_related_synonym: HDAC inhibitor
has_related_synonym: HDAC inhibitors
has_related_synonym: HDACi
has_related_synonym: HDACis
has_related_synonym: HDI
has_related_synonym: HDIs
database_cross_reference: Wikipedia:Histone_deacetylase_inhibitor
has_obo_namespace: chebi_ontology
has_related_synonym: histone amidohydrolase inhibitor
has_related_synonym: histone amidohydrolase inhibitors
has_related_synonym: histone deacetylase (EC 3.5.1.98) inhibitor
has_related_synonym: histone deacetylase (EC 3.5.1.98) inhibitors
has_related_synonym: histone deacetylase inhibitor
has_related_synonym: histone deacetylase inhibitors
imported from: chebi.owl

nucleobase-containing molecular entity
type: Class
subclass of: heteroarene
subclass of: nitrogen molecular entity
subclass of: Restriction
  on property: has functional parent
  some values from: nucleobase
definition: Any compound that has a nucleobase as a part.
id: CHEBI:61120
has_obo_namespace: chebi_ontology
has_related_synonym: nucleobase-containing compound
has_related_synonym: nucleobase-containing compounds
has_related_synonym: nucleobase-containing molecular entities
imported from: chebi.owl

karakoline
type: Class
subclass of: alkaloid
subclass of: tertiary alcohol
subclass of: secondary alcohol
subclass of: bridged compound
subclass of: organonitrogen heterocyclic compound
subclass of: tertiary amino compound
subclass of: Restriction
  on property: has role
  some values from: phytotoxin
subclass of: Restriction
  on property: has parent hydride
  some values from: aconitane
has_exact_synonym: 20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol
has_related_synonym: 377.51764
has_related_synonym: Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-
definition: An organonitrogen heterocyclic compound that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methyl, and methoxy groups, respectively.
has_related_synonym: C22H35NO4
database_cross_reference: CAS:39089-30-0
id: CHEBI:6113
has_related_synonym: Carmichaeline
has_related_synonym: Carmicheline
has_related_synonym: HKQZUYOVMYOFIT-VHNBHZRZSA-N
has_related_synonym: InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1
database_cross_reference: KEGG:C08693
database_cross_reference: KNApSAcK:C00001649
has_related_synonym: Karacoline
has_exact_synonym: Karakoline
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hesperetin(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: hesperetin
has_exact_synonym: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate
has_related_synonym: 301.27080
definition: A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.
has_related_synonym: AIONOLUJZLIMTK-AWEZNQCLSA-M
has_related_synonym: C16H13O6
id: CHEBI:61249
has_related_synonym: COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1
has_related_synonym: InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/p-1/t14-/m0/s1
has_obo_namespace: chebi_ontology
has_related_synonym: hesperetin anion
imported from: chebi.owl

adenyl nucleotide
type: Class
subclass of: purine nucleotide
definition: A nucleotide having adenine as the base.
id: CHEBI:61293
has_obo_namespace: chebi_ontology
imported from: chebi.owl

adenyl ribonucleotide
type: Class
subclass of: purine ribonucleotide
subclass of: adenyl nucleotide
definition: A purine riboncleotide where adenine is the purine.
id: CHEBI:61296
has_related_synonym: adenine ribonucleotide
has_obo_namespace: chebi_ontology
imported from: chebi.owl

C4-dicarboxylate
type: Class
subclass of: dicarboxylic acid dianion
subclass of: Restriction
  on property: is conjugate base of
  some values from: C4-dicarboxylic acid
definition: A dicarboxylate that contains four carbon atoms.
id: CHEBI:61336
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-hydroxy carboxylic acid
type: Class
subclass of: hydroxy carboxylic acid
has_related_synonym: 3-hydroxy carboxylic acids
has_related_synonym: 3-hydroxycarboxylic acid
has_related_synonym: 3-hydroxycarboxylic acids
definition: Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group.
id: CHEBI:61355
has_related_synonym: beta-hydroxy carboxylic acid
has_related_synonym: beta-hydroxy carboxylic acids
has_related_synonym: beta-hydroxycarboxylic acid
has_related_synonym: beta-hydroxycarboxylic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

polyanionic polymer
type: Class
subclass of: ionic polymer
subclass of: Restriction
  on property: has part
  some values from: polyanionic macromolecule
definition: A polymer, composed of polyanion macromolecules.
id: CHEBI:61469
has_obo_namespace: chebi_ontology
has_related_synonym: polyanion
has_related_synonym: polyanions
imported from: chebi.owl

steroid saponin
type: Class
subclass of: saponin
subclass of: steroid
definition: Any saponin derived from a hydroxysteroid.
id: CHEBI:61655
database_cross_reference: PMID:18486659
database_cross_reference: PMID:20346608
database_cross_reference: PMID:20846658
has_obo_namespace: chebi_ontology
has_related_synonym: glycosteroid
has_related_synonym: glycosteroids
has_related_synonym: glycosyl steroid
has_related_synonym: glycosyl steroids
has_related_synonym: steroid glycoside
has_related_synonym: steroid glycosides
has_related_synonym: steroid saponins
has_related_synonym: steroidal glycoside
has_related_synonym: steroidal glycosides
has_related_synonym: sterol glycoside
has_related_synonym: sterol glycosides
has_related_synonym: steryl glycoside
has_related_synonym: steryl glycosides
imported from: chebi.owl

fatty acid derivative
type: Class
subclass of: organic molecular entity
subclass of: Restriction
  on property: has functional parent
  some values from: fatty acid
definition: Any organic molecular entity derived from a fatty acid.
id: CHEBI:61697
has_related_synonym: FA derivative
has_related_synonym: FA derivatives
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid derivatives
imported from: chebi.owl

(-)-alpha-gurjunene
type: Class
subclass of: sesquiterpene
subclass of: carbotricyclic compound
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_exact_synonym: (-)-alpha-gurjunene
has_exact_synonym: (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene
has_related_synonym: 204.35110
definition: A carbotricyclic compound and sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, 4 and 7 (the 1aR,4R,4aR,7bS- diastereoisomer). It has been isolated from plant species like Anaphalis nubigena and Jatropha ribifolia.
has_related_synonym: C15H24
database_cross_reference: CAS:489-40-7
id: CHEBI:61699
has_related_synonym: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1
database_cross_reference: KEGG:C19734
database_cross_reference: MetaCyc:CPD-12891
database_cross_reference: PMID:10190971
database_cross_reference: PMID:19731610
database_cross_reference: PMID:23365607
database_cross_reference: PMID:24371539
database_cross_reference: Reaxys:1939514
has_related_synonym: SPCXZDDGSGTVAW-XIDUGBJDSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

terpene glycoside
type: Class
subclass of: glycoside
subclass of: terpenoid
definition: A terpenoid in which one or more hydroxy functions are glycosylated.
id: CHEBI:61777
has_obo_namespace: chebi_ontology
has_related_synonym: terpene glycosides
imported from: chebi.owl

triterpenoid saponin
type: Class
subclass of: saponin
subclass of: terpene glycoside
definition: A terpene glycoside in which the terpene moiety is a triterpenoid.
id: CHEBI:61778
database_cross_reference: Wikipedia:Triterpenoid_saponin
has_obo_namespace: chebi_ontology
has_related_synonym: triterpene glycoside
has_related_synonym: triterpene glycosides
has_related_synonym: triterpenoid saponins
imported from: chebi.owl

monounsaturated fatty acid aldehyde
type: Class
subclass of: fatty aldehyde
definition: Any fatty aldehyde with one double or triple bond located at any position in the aliphatic chain.
id: CHEBI:61870
has_obo_namespace: chebi_ontology
has_related_synonym: monounsaturated fatty acid aldehydes
imported from: chebi.owl

oxo-fatty acyl-CoA
type: Class
subclass of: fatty acyl-CoA
definition: A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any oxo-fatty acid.
id: CHEBI:61903
has_obo_namespace: chebi_ontology
has_related_synonym: oxo-FA-CoA
has_related_synonym: oxo-FA-coenzyme A
has_related_synonym: oxo-fatty acyl-coenzyme A
imported from: chebi.owl

very long-chain fatty acyl-CoA
type: Class
subclass of: fatty acyl-CoA
definition: A fatty acyl-CoA in which the fatty acyl group has a chain length greater than C22.
id: CHEBI:61910
database_cross_reference: PMID:16768463
database_cross_reference: PMID:20360933
database_cross_reference: PMID:20530735
database_cross_reference: PMID:20798351
has_related_synonym: VLCA-coenzyme A
has_related_synonym: VLCFA-CoA
has_related_synonym: VLCFA-CoAs
has_related_synonym: VLCFA-coenzyme A
has_related_synonym: VLCFA-coenzyme As
has_obo_namespace: chebi_ontology
has_related_synonym: very long-chain acyl-CoA
has_related_synonym: very long-chain acyl-coenzyme A
has_related_synonym: very long-chain fatty acyl-coenzyme A
has_related_synonym: very long-chain fatty acyl-coenzyme As
imported from: chebi.owl

polar amino acid zwitterion
type: Class
subclass of: polar amino acid
subclass of: amino acid zwitterion
has_related_synonym: 74.05870
has_related_synonym: C2H4NO2R
id: CHEBI:62031
database_cross_reference: MetaCyc:Polar-amino-acids
definition: Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group.
has_related_synonym: [NH3+]C([*])C([O-])=O
has_related_synonym: a polar amino acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

acyl donor
type: Class
subclass of: donor
definition: Any donor that can transfer acyl groups between molecular entities.
id: CHEBI:62049
database_cross_reference: PMID:16100120
database_cross_reference: PMID:19052863
has_obo_namespace: chebi_ontology
imported from: chebi.owl

allelochemical
type: Class
subclass of: metabolite
definition: A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
id: CHEBI:62215
has_related_synonym: allelochemicals
has_obo_namespace: chebi_ontology
imported from: chebi.owl

signalling molecule
type: Class
subclass of: molecular messenger
definition: A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell.
id: CHEBI:62488
has_obo_namespace: chebi_ontology
has_related_synonym: signal molecule
has_related_synonym: signal molecules
has_related_synonym: signaling molecule
has_related_synonym: signaling molecules
has_related_synonym: signalling molecules
imported from: chebi.owl

methyl-branched fatty acid
type: Class
subclass of: branched-chain fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: methyl-branched fatty acid anion
definition: Any branched-chain fatty acid containing methyl branches only.
id: CHEBI:62499
database_cross_reference: PMID:17030019
database_cross_reference: PMID:19747846
database_cross_reference: PMID:19933331
has_obo_namespace: chebi_ontology
has_related_synonym: methyl-branched fatty acids
imported from: chebi.owl

eudesmane sesquiterpenoid
type: Class
subclass of: sesquiterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: eudesmane
definition: Any sesquiterpenoid having a eudesmane skeleton.
id: CHEBI:62508
has_obo_namespace: chebi_ontology
has_related_synonym: eudesmane sesquiterpenoids
imported from: chebi.owl

gamma-eudesmol
type: Class
subclass of: eudesmane sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
has_related_synonym: (+)-gamma-eudesmol
has_exact_synonym: 2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol
has_related_synonym: 222.36630
definition: A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-4 and C-5.
has_related_synonym: C15H26O
database_cross_reference: CAS:1209-71-8
has_related_synonym: CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(C)(C)O
id: CHEBI:62513
has_related_synonym: InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1
database_cross_reference: KEGG:C17124
has_related_synonym: Machilol
database_cross_reference: PMID:11374955
database_cross_reference: PMID:11411523
database_cross_reference: PMID:11671565
database_cross_reference: PMID:11836934
database_cross_reference: PMID:17826984
database_cross_reference: PMID:18495186
database_cross_reference: PMID:19750507
database_cross_reference: PMID:19768997
database_cross_reference: PMID:20527953
database_cross_reference: Reaxys:5332265
has_related_synonym: Selinenol
has_related_synonym: Uncineol
has_related_synonym: WMOPMQRJLLIEJV-IUODEOHRSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: eudesm-4-en-11-ol
imported from: chebi.owl

anionic phospholipid
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: phospholipid
definition: Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-).
id: CHEBI:62643
has_related_synonym: a phospholipid derivative
has_related_synonym: anionic phospholipids
has_obo_namespace: chebi_ontology
has_related_synonym: phospholipid anion
has_related_synonym: phospholipid anions
imported from: chebi.owl

aromatic ester
type: Class
subclass of: organic aromatic compound
subclass of: ester
definition: An ester where the ester linkage is bonded directly to an aromatic system.
id: CHEBI:62732
has_related_synonym: aromatic esters
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aromatic amide
type: Class
subclass of: amide
subclass of: organic aromatic compound
definition: An amide in which the amide linkage is bonded directly to an aromatic system.
id: CHEBI:62733
has_related_synonym: aromatic amides
has_obo_namespace: chebi_ontology
imported from: chebi.owl

glycine receptor antagonist
type: Class
subclass of: antagonist
id: CHEBI:62754
has_obo_namespace: chebi_ontology
has_related_synonym: glycine receptor antagonists
imported from: chebi.owl

fuel additive
type: Class
subclass of: chemical role
definition: Any additive that enhances the efficiency of fuel.
id: CHEBI:62803
has_obo_namespace: chebi_ontology
has_related_synonym: fuel additives
has_related_synonym: fuel enhancer
imported from: chebi.owl

beta-elemene
type: Class
subclass of: sesquiterpene
subclass of: polyene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: (1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane
has_related_synonym: (1alpha,2beta,4beta)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
has_related_synonym: (1alpha,2beta,4beta)-1-methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane
has_related_synonym: 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane
definition: A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4.
database_cross_reference: CAS:33880-83-0
id: CHEBI:62854
database_cross_reference: KEGG:C17094
database_cross_reference: PMID:18442668
database_cross_reference: PMID:19513519
database_cross_reference: PMID:20193603
database_cross_reference: PMID:20399285
database_cross_reference: PMID:20405479
database_cross_reference: PMID:20416170
database_cross_reference: PMID:20456328
database_cross_reference: PMID:20563582
database_cross_reference: PMID:20663036
database_cross_reference: PMID:21246417
database_cross_reference: PMID:21616632
database_cross_reference: PMID:21681682
database_cross_reference: PMID:21809584
has_exact_synonym: beta-Elemene
has_obo_namespace: chebi_ontology
has_exact_synonym: rel-(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane
has_related_synonym: rel-(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane
imported from: chebi.owl

hepatoprotective agent
type: Class
subclass of: protective agent
definition: Any compound that is able to prevent damage to the liver.
id: CHEBI:62868
has_related_synonym: antihepatotoxic agent
has_obo_namespace: chebi_ontology
has_related_synonym: hepatoprotective agents
imported from: chebi.owl

odorant receptor agonist
type: Class
subclass of: agonist
definition: An agonist that selectively binds to and activates an odorant receptor.
id: CHEBI:62873
has_obo_namespace: chebi_ontology
imported from: chebi.owl

emulsifier
type: Class
subclass of: chemical role
id: CHEBI:63046
definition: The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability.
has_obo_namespace: chebi_ontology
has_related_synonym: emulgent
has_related_synonym: emulgents
has_related_synonym: emulsifiers
imported from: chebi.owl

food emulsifier
type: Class
subclass of: emulsifier
subclass of: food additive
definition: A food additive used to form or maintain a uniform emulsion of two (or more) phases in a food.
id: CHEBI:63047
has_obo_namespace: chebi_ontology
has_related_synonym: food emulsifiers
imported from: chebi.owl

zinc cation
type: Class
subclass of: zinc ion
subclass of: transition element cation
definition: Any zinc ion that is positively charged.
id: CHEBI:63056
has_obo_namespace: chebi_ontology
has_related_synonym: zinc cations
imported from: chebi.owl

glycosyl compound
type: Class
subclass of: carbohydrate derivative
definition: A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity.
id: CHEBI:63161
has_obo_namespace: chebi_ontology
has_related_synonym: glycosyl compounds
imported from: chebi.owl

ribonucleoside monophosphate oxoanion
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: ribonucleoside monophosphate
definition: An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate.
id: CHEBI:63165
has_obo_namespace: chebi_ontology
has_related_synonym: ribonucleoside monophosphate oxoanions
imported from: chebi.owl

beta-caryophyllene
type: Class
subclass of: sesquiterpene
subclass of: ortho-fused bicyclic hydrocarbon
definition: A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil.
id: CHEBI:63191
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrate derivative
type: Class
subclass of: carbohydrates and carbohydrate derivatives
subclass of: Restriction
  on property: has functional parent
  some values from: carbohydrate
definition: Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds.
id: CHEBI:63299
has_related_synonym: carbohydrate derivatives
has_obo_namespace: chebi_ontology
has_related_synonym: derivatised carbohydrate
has_related_synonym: derivatised carbohydrates
has_related_synonym: derivatized carbohydrate
has_related_synonym: derivatized carbohydrates
imported from: chebi.owl

disaccharide derivative
type: Class
subclass of: carbohydrate derivative
subclass of: Restriction
  on property: has functional parent
  some values from: disaccharide
definition: A carbohydrate derivative that is formally obtained from a disaccharide.
id: CHEBI:63353
has_obo_namespace: chebi_ontology
has_related_synonym: disaccharide derivatives
imported from: chebi.owl

monosaccharide derivative
type: Class
subclass of: carbohydrate derivative
subclass of: Restriction
  on property: has functional parent
  some values from: monosaccharide
definition: A carbohydrate derivative that is formally obtained from a monosaccharide.
id: CHEBI:63367
has_obo_namespace: chebi_ontology
has_related_synonym: monosaccharide derivatives
imported from: chebi.owl

pentose derivative
type: Class
subclass of: monosaccharide derivative
subclass of: Restriction
  on property: has functional parent
  some values from: pentose
definition: A monosaccharide derivative that is formally obtained from a pentose.
id: CHEBI:63409
has_obo_namespace: chebi_ontology
has_related_synonym: pentose derivatives
imported from: chebi.owl

all-trans-retinyl ester
type: Class
subclass of: retinyl ester
has_related_synonym: 313.45380
definition: A retintinyl ester in which all double bonds of the retinyl side-chain have trans-configuration.
has_related_synonym: C21H29O2R
has_related_synonym: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/COC([*])=O
id: CHEBI:63410
database_cross_reference: HMDB:HMDB03598
database_cross_reference: KEGG:C02075
database_cross_reference: MetaCyc:All-trans-Retinyl-Esters
database_cross_reference: PMID:12741839
database_cross_reference: PMID:16116091
database_cross_reference: PMID:19490105
has_related_synonym: an all-trans-retinyl ester
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrate acid derivative
type: Class
subclass of: carbohydrate derivative
subclass of: Restriction
  on property: has functional parent
  some values from: carbohydrate acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: carbohydrate acid derivative anion
definition: A carbohydrate derivative that is formally obtained from a carbohydrate acid.
id: CHEBI:63436
has_related_synonym: carbohydrate acid derivatives
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sulfur-containing amino-acid anion
type: Class
subclass of: amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: sulfur-containing amino acid
definition: A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated).
id: CHEBI:63470
has_obo_namespace: chebi_ontology
has_related_synonym: sulfur-containing amino-acid anions
imported from: chebi.owl

branched-chain amino-acid anion
type: Class
subclass of: amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: branched-chain amino acid
definition: A branched-chain amino acid whose alpha-carboxylic acid group is ionized (not protonated).
id: CHEBI:63471
has_related_synonym: branched-chain amino-acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aromatic amino-acid anion
type: Class
subclass of: amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: aromatic amino acid
definition: An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated).
id: CHEBI:63473
has_related_synonym: aromatic amino-acid anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrate acid derivative anion
type: Class
subclass of: carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: carbohydrate acid derivative
subclass of: Restriction
  on property: has functional parent
  some values from: carbohydrate acid anion
definition: A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative.
id: CHEBI:63551
has_related_synonym: carbohydrate acid anion derivative
has_related_synonym: carbohydrate acid anion derivatives
has_related_synonym: carbohydrate acid derivative anions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oligosaccharide derivative
type: Class
subclass of: carbohydrate derivative
subclass of: Restriction
  on property: has functional parent
  some values from: oligosaccharide
definition: A carbohydrate derivative that is formally obtained from an oligosaccharide.
id: CHEBI:63563
has_related_synonym: O-glycosylglycoside derivative
has_related_synonym: O-glycosylglycoside derivatives
has_obo_namespace: chebi_ontology
has_related_synonym: oligosaccharide derivatives
imported from: chebi.owl

pentasaccharide derivative
type: Class
subclass of: oligosaccharide derivative
subclass of: Restriction
  on property: has functional parent
  some values from: pentasaccharide
definition: An oligosaccharide derivative that is formally obtained from a pentasaccharide.
id: CHEBI:63566
has_obo_namespace: chebi_ontology
has_related_synonym: pentasaccharide derivatives
imported from: chebi.owl

(-)-delta-cadinene
type: Class
subclass of: cadinene
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-delta-cadinene
has_exact_synonym: (-)-delta-cadinene
has_exact_synonym: (1R,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene
has_related_synonym: (1R,8aS)-4,7-dimethyl-1-isopropyl-1,2,3,5,6,8a-hexahydronaphthalene
has_related_synonym: 204.35110
definition: A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer).
has_related_synonym: C15H24
id: CHEBI:63703
has_related_synonym: FUCYIEXQVQJBKY-UKRRQHHQSA-N
has_related_synonym: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m1/s1
database_cross_reference: PMID:21276937
database_cross_reference: Reaxys:2501562
has_related_synonym: [H][C@]12C=C(C)CCC1=C(C)CC[C@@H]2C(C)C
has_obo_namespace: chebi_ontology
imported from: chebi.owl

neuroprotective agent
type: Class
subclass of: protective agent
definition: Any compound that can be used for the treatment of neurodegenerative disorders.
id: CHEBI:63726
has_obo_namespace: chebi_ontology
has_related_synonym: neuroprotectant
has_related_synonym: neuroprotectants
has_related_synonym: neuroprotective agents
imported from: chebi.owl

retinoid X receptor agonist
type: Class
subclass of: agonist
definition: An agonist that selectively binds to and activates a retinoid X receptor.
id: CHEBI:63794
database_cross_reference: Wikipedia:Retinoid_X_receptor
has_obo_namespace: chebi_ontology
has_related_synonym: retinoid X receptor agonists
imported from: chebi.owl

3-hydroxy-4-methoxybenzoate
type: Class
subclass of: methoxybenzoate
subclass of: monohydroxybenzoate
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-hydroxy-4-methoxybenzoic acid
has_related_synonym: 167.13880
has_exact_synonym: 3-hydroxy-4-methoxybenzoate
definition: A monohydroxybenzoate that is the conjugate base of 3-hydroxy-4-methoxybenzoic acid, arising from deprotonation of the carboxy group.
has_related_synonym: C8H7O4
id: CHEBI:63797
has_related_synonym: COc1ccc(cc1O)C([O-])=O
has_related_synonym: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
has_related_synonym: LBKFGYZQBSGRHY-UHFFFAOYSA-M
database_cross_reference: PMID:1083208
database_cross_reference: PMID:11327601
database_cross_reference: PMID:16707678
database_cross_reference: PMID:7813485
database_cross_reference: Reaxys:6504382
has_obo_namespace: chebi_ontology
has_related_synonym: isovanillate
imported from: chebi.owl

3-hydroxy-4-methoxybenzoic acid
type: Class
subclass of: methoxybenzoic acid
subclass of: monohydroxybenzoic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-hydroxy-4-methoxybenzoate
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
has_related_synonym: 168.14670
has_related_synonym: 3-Hydroxyanisic acid
has_exact_synonym: 3-hydroxy-4-methoxybenzoic acid
has_related_synonym: 3-hydroxy-p-anisic acid
definition: A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.
has_related_synonym: Acide isovanillique
database_cross_reference: Beilstein:2208365
has_related_synonym: C8H8O4
database_cross_reference: CAS:645-08-9
id: CHEBI:63798
has_related_synonym: COc1ccc(cc1O)C(O)=O
database_cross_reference: HMDB:HMDB60003
has_related_synonym: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
has_related_synonym: Isovanillic acid
has_related_synonym: LBKFGYZQBSGRHY-UHFFFAOYSA-N
database_cross_reference: PMID:23477143
database_cross_reference: PMID:24820992
database_cross_reference: PMID:24956816
database_cross_reference: Reaxys:2208365
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2-butoxyethanol
type: Class
subclass of: primary alcohol
subclass of: ether
subclass of: Restriction
  on property: has role
  some values from: protic solvent
has_related_synonym: 118.17420
has_exact_synonym: 2-butoxyethanol
has_related_synonym: 2-hydroxyethyl n-butyl ether
has_related_synonym: 3-oxa-1-heptanol
definition: A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions.
has_related_synonym: BuOCH2CH2OH
has_related_synonym: C6H14O2
database_cross_reference: CAS:111-76-2
has_related_synonym: CCCCOCCO
id: CHEBI:63921
database_cross_reference: HMDB:HMDB31327
has_related_synonym: InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
database_cross_reference: KEGG:C19355
has_related_synonym: O-butyl ethylene glycol
database_cross_reference: PMID:15371241
database_cross_reference: PMID:15705494
database_cross_reference: PMID:22330932
database_cross_reference: PMID:9372852
has_related_synonym: POAOYUHQDCAZBD-UHFFFAOYSA-N
database_cross_reference: Patent:US2448767
database_cross_reference: Reaxys:1732511
database_cross_reference: Wikipedia:2-Butoxyethanol
has_related_synonym: butoxyethanol
has_related_synonym: butyl cellosolve
has_related_synonym: butyl glycol
has_related_synonym: butyl oxitol
has_obo_namespace: chebi_ontology
has_related_synonym: ethylene glycol butyl ether
has_related_synonym: ethylene glycol mono-n-butyl ether
has_related_synonym: ethylene glycol monobutyl ether
has_related_synonym: glycol butyl ether
has_related_synonym: n-butoxyethanol
imported from: chebi.owl

macrocyclic lactone
type: Class
subclass of: lactone
subclass of: macrocycle
definition: Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule.
has_alternative_id: CHEBI:50333
id: CHEBI:63944
has_obo_namespace: chebi_ontology
has_related_synonym: macrocyclic lactones
imported from: chebi.owl

celastrol
type: Class
subclass of: monocarboxylic acid
subclass of: pentacyclic triterpenoid
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
subclass of: Restriction
  on property: has role
  some values from: Hsp90 inhibitor
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory drug
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_related_synonym: (2R,4aS,6aS,12bR,14aS,14bR)-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-2-picenecarboxylic acid
has_exact_synonym: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
has_related_synonym: 3-hydroxy-9beta,13alpha-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid
has_related_synonym: 450.60960
definition: A pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM).
has_related_synonym: C29H38O4
database_cross_reference: CAS:34157-83-0
id: CHEBI:63959
has_related_synonym: D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20alpha)-
database_cross_reference: HMDB:HMDB02385
has_related_synonym: InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
has_related_synonym: KQJSQWZMSAGSHN-JJWQIEBTSA-N
database_cross_reference: PMID:11809076
database_cross_reference: PMID:15593077
database_cross_reference: PMID:20934245
database_cross_reference: PMID:20954803
database_cross_reference: PMID:21134410
database_cross_reference: PMID:21414301
database_cross_reference: PMID:21425580
database_cross_reference: PMID:21466843
database_cross_reference: PMID:21569548
database_cross_reference: PMID:21666907
database_cross_reference: PMID:21850367
database_cross_reference: PMID:21865725
database_cross_reference: PMID:21866552
database_cross_reference: PMID:22087583
database_cross_reference: PMID:22206928
database_cross_reference: PMID:22334592
database_cross_reference: Patent:KR20100097843
database_cross_reference: Patent:US2011263693
database_cross_reference: Reaxys:2194425
has_related_synonym: Tripterine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Hsp90 inhibitor
type: Class
subclass of: EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor
definition: An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
id: CHEBI:63962
has_related_synonym: Hsp90 inhibitors
database_cross_reference: PMID:19860732
database_cross_reference: PMID:19946660
database_cross_reference: PMID:22035754
database_cross_reference: PMID:22920907
database_cross_reference: PMID:22959035
database_cross_reference: PMID:23160336
database_cross_reference: PMID:23312026
database_cross_reference: Wikipedia:Hsp90_inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: heat shock protein 90 inhibitor
has_related_synonym: heat shock protein 90 inhibitors
imported from: chebi.owl

protein kinase C agonist
type: Class
subclass of: protein kinase agonist
definition: An agonist that selectively binds to and activates a protein kinase C receptor
id: CHEBI:64018
has_obo_namespace: chebi_ontology
has_related_synonym: protein kinase C agonists
imported from: chebi.owl

food additive
type: Class
subclass of: application
subclass of: food component
definition: Any substance which is added to food to preserve or enhance its flavour and/or appearance.
id: CHEBI:64047
database_cross_reference: Wikipedia:Food_additive
has_obo_namespace: chebi_ontology
has_related_synonym: food additives
imported from: chebi.owl

food acidity regulator
type: Class
subclass of: food additive
definition: A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents.
id: CHEBI:64049
database_cross_reference: Wikipedia:Acidity_regulator
has_related_synonym: acidity regulator
has_related_synonym: acidity regulators
has_obo_namespace: chebi_ontology
has_related_synonym: food acidity regulators
has_related_synonym: pH control agent
has_related_synonym: pH control agents
imported from: chebi.owl

protein kinase agonist
type: Class
subclass of: agonist
definition: An agonist that selectively binds to and activates a protein kinase receptor.
id: CHEBI:64106
has_obo_namespace: chebi_ontology
has_related_synonym: protein kinase agonists
imported from: chebi.owl

MALDI matrix material
type: Class
subclass of: application
has_related_synonym: 'matrix-assisted laser desorption/ionization' matrix material
has_related_synonym: 'matrix-assisted laser desorption/ionization' matrix materials
definition: A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material).
id: CHEBI:64345
has_related_synonym: MALDI matrix materials
has_related_synonym: MALDI matrix solution
has_related_synonym: MALDI matrix solutions
database_cross_reference: PMID:15373456
database_cross_reference: Patent:EP2060919
database_cross_reference: Wikipedia:Matrix-assisted_laser_desorption/ionization#Matrix
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aralkylamino compound
type: Class
subclass of: organic amino compound
definition: An organic amino compound in which an aminoalkyl group is linked to an arene.
id: CHEBI:64365
has_related_synonym: aralkylamino compounds
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monolignol
type: Class
subclass of: plant metabolite
definition: A metabolite of plant origin (phytochemical) which acts as a source material for biosynthesis of both lignans and lignin.
id: CHEBI:64477
database_cross_reference: Wikipedia:Monolignol
has_obo_namespace: chebi_ontology
has_related_synonym: monolignols
imported from: chebi.owl

Licarin A
type: Class
subclass of: benzofurans
has_related_synonym: (+)(-)-trans-Dehydrodiisoeugenol
has_related_synonym: 326.387
definition: A benzofuran that has formula C20H22O4.
has_related_synonym: C20H22O4
database_cross_reference: CAS:51020-86-1
id: CHEBI:6451
has_related_synonym: ITDOFWOJEDZPCF-FNINDUDTSA-N
has_related_synonym: InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1
database_cross_reference: KEGG:C10650
database_cross_reference: KNApSAcK:C00002611
has_exact_synonym: Licarin A
has_obo_namespace: chebi_ontology
imported from: chebi.owl

trans-sinapyl alcohol
type: Class
subclass of: sinapyl alcohol
subclass of: Restriction
  on property: has role
  some values from: monolignol
has_related_synonym: (E)-sinapyl alcohol
has_related_synonym: 210.22650
has_exact_synonym: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
database_cross_reference: AGR:IND43654461
has_related_synonym: C11H14O4
database_cross_reference: CAS:537-33-7
id: CHEBI:64557
has_related_synonym: COc1cc(cc(OC)c1O)\C=C\CO
has_related_synonym: InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
database_cross_reference: KEGG:C02325
database_cross_reference: KNApSAcK:C00002778
has_related_synonym: LZFOPEXOUVTGJS-ONEGZZNKSA-N
database_cross_reference: PMID:12659499
database_cross_reference: Reaxys:3084126
has_related_synonym: Sinapoyl alcohol
definition: Sinapyl alcohol in which the configuration of the propenyl double bond is E. It is one of the main monolignols.
has_obo_namespace: chebi_ontology
imported from: chebi.owl

methionine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: methionine
has_related_synonym: 149.21100
has_related_synonym: 2-ammonio-4-(methylsulfanyl)butanoate
has_exact_synonym: 2-azaniumyl-4-(methylsulfanyl)butanoate
definition: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3.
has_related_synonym: C5H11NO2S
id: CHEBI:64558
has_related_synonym: CSCCC([NH3+])C([O-])=O
has_related_synonym: FFEARJCKVFRZRR-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
has_obo_namespace: chebi_ontology
has_related_synonym: methionine
imported from: chebi.owl

EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor
type: Class
subclass of: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor
has_related_synonym: 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor
has_related_synonym: 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors
definition: An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1).
id: CHEBI:64570
has_related_synonym: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors
has_related_synonym: EC 2.1.2.1 inhibitor
has_related_synonym: EC 2.1.2.1 inhibitors
has_related_synonym: L-serine hydroxymethyltransferase inhibitor
has_related_synonym: L-serine hydroxymethyltransferase inhibitors
has_related_synonym: L-threonine aldolase inhibitor
has_related_synonym: L-threonine aldolase inhibitors
database_cross_reference: Wikipedia:Glycine_hydroxymethyltransferase
has_related_synonym: allothreonine aldolase inhibitor
has_related_synonym: allothreonine aldolase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor
has_related_synonym: glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors
has_related_synonym: glycine hydroxymethyltransferase inhibitor
has_related_synonym: glycine hydroxymethyltransferase inhibitors
has_related_synonym: serine aldolase inhibitor
has_related_synonym: serine aldolase inhibitors
has_related_synonym: serine hydroxymethylase inhibitor
has_related_synonym: serine hydroxymethylase inhibitors
has_related_synonym: serine hydroxymethyltransferase inhibitor
has_related_synonym: serine hydroxymethyltransferase inhibitors
has_related_synonym: serine transhydroxymethylase inhibitor
has_related_synonym: serine transhydroxymethylase inhibitors
has_related_synonym: threonine aldolase inhibitor
has_related_synonym: threonine aldolase inhibitors
imported from: chebi.owl

NMDA receptor agonist
type: Class
subclass of: excitatory amino acid agonist
definition: An excitatory amino acid agonist which binds to NMDA receptors and triggers a response.
id: CHEBI:64571
has_related_synonym: N-methyl-D-aspartate receptor agonist
has_related_synonym: N-methyl-D-aspartate receptor agonists
has_related_synonym: NMDA receptor agonists
has_related_synonym: NMDAR agonist
has_related_synonym: NMDAR agonists
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quercetin O-glucoside
type: Class
subclass of: quercetin O-glycoside
definition: A quercetin O-glycoside that is an O-glucosylated derivative of quercetin.
id: CHEBI:64621
has_obo_namespace: chebi_ontology
has_related_synonym: quercetin O-glucosides
imported from: chebi.owl

kaempferol O-glucoside
type: Class
subclass of: glycosyloxyflavone
subclass of: Restriction
  on property: has functional parent
  some values from: kaempferol
definition: A glycosyloxyflavone that is an O-glucosylated derivative of kaempferol.
id: CHEBI:64634
has_obo_namespace: chebi_ontology
imported from: chebi.owl

divalent inorganic cation
type: Class
subclass of: inorganic cation
definition: An inorganic cation with a valency of two.
id: CHEBI:64641
has_obo_namespace: chebi_ontology
imported from: chebi.owl

one-carbon compound
type: Class
subclass of: organic molecular entity
definition: An organic molecular entity containing a single carbon atom (C1).
id: CHEBI:64708
has_obo_namespace: chebi_ontology
has_related_synonym: one-carbon compounds
imported from: chebi.owl

organic acid
type: Class
subclass of: organic molecular entity
definition: Any organic molecular entity that is acidic and contains carbon in covalent linkage.
id: CHEBI:64709
has_obo_namespace: chebi_ontology
has_related_synonym: organic acids
imported from: chebi.owl

EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
type: Class
subclass of: EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
has_related_synonym: 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor
has_related_synonym: 1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors
has_related_synonym: 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor
has_related_synonym: 1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors
has_related_synonym: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitor
has_related_synonym: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitors
definition: An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of phosphatidylinositol-specific phospholipase C (EC 3.1.4.11).
id: CHEBI:64763
has_related_synonym: EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitors
has_related_synonym: EC 3.1.4.11 inhibitor
has_related_synonym: EC 3.1.4.11 inhibitors
has_related_synonym: PI-PLC inhibitor
has_related_synonym: PI-PLC inhibitors
database_cross_reference: Wikipedia:Phosphatidylinositol-specific_phospholipase_C
has_obo_namespace: chebi_ontology
has_related_synonym: monophosphatidylinositol phosphodiesterase inhibitor
has_related_synonym: monophosphatidylinositol phosphodiesterase inhibitors
has_related_synonym: phosphatidylinositol phospholipase C inhibitor
has_related_synonym: phosphatidylinositol phospholipase C inhibitors
has_related_synonym: phosphatidylinositol-specific phospholipase C inhibitor
has_related_synonym: phosphatidylinositol-specific phospholipase C inhibitors
has_related_synonym: phosphoinositidase C inhibitor
has_related_synonym: phosphoinositidase C inhibitors
has_related_synonym: phosphoinositide phospholipase C (EC 3.1.4.11) inhibitor
has_related_synonym: phosphoinositide phospholipase C (EC 3.1.4.11) inhibitors
has_related_synonym: phosphoinositide phospholipase C inhibitor
has_related_synonym: phosphoinositide phospholipase C inhibitors
has_related_synonym: triphosphoinositide phosphodiesterase inhibitor
has_related_synonym: triphosphoinositide phosphodiesterase inhibitors
imported from: chebi.owl

cosmetic
type: Class
subclass of: application
id: CHEBI:64857
definition: The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it.
database_cross_reference: Wikipedia:Cosmetics
has_obo_namespace: chebi_ontology
has_related_synonym: cosmetic component
has_related_synonym: cosmetics
imported from: chebi.owl

poison
type: Class
subclass of: biological role
definition: Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism.
id: CHEBI:64909
database_cross_reference: Wikipedia:Poison
has_obo_namespace: chebi_ontology
has_related_synonym: poisonous agent
has_related_synonym: poisonous agents
has_related_synonym: poisonous substance
has_related_synonym: poisonous substances
has_related_synonym: poisons
has_related_synonym: toxic agent
has_related_synonym: toxic agents
has_related_synonym: toxic substance
has_related_synonym: toxic substances
imported from: chebi.owl

antiplasmodial drug
type: Class
subclass of: antiprotozoal drug
definition: An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
id: CHEBI:64915
has_related_synonym: antiplasmodial agent
has_related_synonym: antiplasmodial agents
has_related_synonym: antiplasmodial drugs
has_related_synonym: antiplasmodium agent
has_related_synonym: antiplasmodium agents
has_related_synonym: antiplasmodium drug
has_related_synonym: antiplasmodium drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anti-HIV agent
type: Class
subclass of: antiviral agent
definition: An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
id: CHEBI:64946
has_related_synonym: anti-AIDS agent
has_related_synonym: anti-AIDS agents
has_related_synonym: anti-HIV agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anti-HIV-1 agent
type: Class
subclass of: anti-HIV agent
definition: An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
id: CHEBI:64947
has_related_synonym: anti-HIV-1 agents
has_related_synonym: anti-HTLV-III agent
has_related_synonym: anti-HTLV-III agents
has_related_synonym: anti-LAV agent
has_related_synonym: anti-LAV agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

anti-HBV agent
type: Class
subclass of: antiviral agent
definition: An antiviral agent that destroys or inhibits the replication of the hepatitis B virus.
id: CHEBI:64951
database_cross_reference: PMID:20712567
has_related_synonym: anti-HBV agents
has_related_synonym: anti-hepatitis B virus agent
has_related_synonym: anti-hepatitis B virus agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
type: Class
subclass of: lipoxygenase inhibitor
has_related_synonym: 5-LOX inhibitor
has_related_synonym: 5-LOX inhibitors
has_related_synonym: 5-lipoxygenase inhibitor
has_related_synonym: 5-lipoxygenase inhibitors
has_related_synonym: 5delta-lipoxygenase inhibitor
has_related_synonym: 5delta-lipoxygenase inhibitors
definition: A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34).
has_related_synonym: C-5-lipoxygenase inhibitor
has_related_synonym: C-5-lipoxygenase inhibitors
id: CHEBI:64964
has_related_synonym: EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitors
has_related_synonym: EC 1.13.11.34 inhibitor
has_related_synonym: EC 1.13.11.34 inhibitors
has_related_synonym: LTA synthase inhibitor
has_related_synonym: LTA synthase inhibitors
has_related_synonym: arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitor
has_related_synonym: arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitors
has_related_synonym: arachidonate 5-lipoxygenase inhibitor
has_related_synonym: arachidonate 5-lipoxygenase inhibitors
has_related_synonym: arachidonic 5-lipoxygenase inhibitor
has_related_synonym: arachidonic 5-lipoxygenase inhibitors
has_related_synonym: arachidonic acid 5-lipoxygenase inhibitor
has_related_synonym: arachidonic acid 5-lipoxygenase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: delta(5)-lipoxygenase inhibitor
has_related_synonym: delta(5)-lipoxygenase inhibitors
has_related_synonym: leukotriene A4 synthase inhibitor
has_related_synonym: leukotriene A4 synthase inhibitors
has_related_synonym: leukotriene-A4 synthase inhibitor
has_related_synonym: leukotriene-A4 synthase inhibitors
imported from: chebi.owl

EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor
type: Class
subclass of: lipoxygenase inhibitor
has_related_synonym: 15-LOX inhibitor
has_related_synonym: 15-LOX inhibitors
has_related_synonym: 15-lipoxygenase inhibitor
has_related_synonym: 15-lipoxygenase inhibitors
definition: A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33).
id: CHEBI:64996
has_related_synonym: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitors
has_related_synonym: EC 1.13.11.33 inhibitor
has_related_synonym: EC 1.13.11.33 inhibitors
has_related_synonym: arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitor
has_related_synonym: arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitors
has_related_synonym: arachidonate 15-lipoxygenase inhibitor
has_related_synonym: arachidonate 15-lipoxygenase inhibitors
has_related_synonym: arachidonate:oxygen 15-oxidoreductase inhibitor
has_related_synonym: arachidonate:oxygen 15-oxidoreductase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: linoleic acid omega(6)-lipoxygenase inhibitor
has_related_synonym: linoleic acid omega(6)-lipoxygenase inhibitors
has_related_synonym: omega(6) lipoxygenase inhibitor
has_related_synonym: omega(6) lipoxygenase inhibitors
imported from: chebi.owl

EC 3.1.1.3 (triacylglycerol lipase) inhibitor
type: Class
subclass of: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
definition: Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3).
id: CHEBI:65001
has_related_synonym: EC 3.1.1.3 (triacylglycerol lipase) inhibitors
has_related_synonym: EC 3.1.1.3 inhibitor
has_related_synonym: EC 3.1.1.3 inhibitors
has_related_synonym: GEH inhibitor
has_related_synonym: GEH inhibitors
has_related_synonym: PPL inhibitor
has_related_synonym: PPL inhibitors
has_related_synonym: Tween hydrolase inhibitor
has_related_synonym: Tween hydrolase inhibitors
has_related_synonym: Tweenase inhibitor
has_related_synonym: Tweenase inhibitors
has_related_synonym: Tweenesterase inhibitor
has_related_synonym: Tweenesterase inhibitors
has_related_synonym: butyrinase inhibitor
has_related_synonym: butyrinase inhibitors
has_related_synonym: cacordase inhibitor
has_related_synonym: cacordase inhibitors
has_related_synonym: capalase L inhibitor
has_related_synonym: capalase L inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: glycerol ester hydrolase inhibitor
has_related_synonym: glycerol ester hydrolase inhibitors
has_related_synonym: glycerol-ester hydrolase inhibitor
has_related_synonym: glycerol-ester hydrolase inhibitors
has_related_synonym: heparin releasable hepatic lipase inhibitor
has_related_synonym: heparin releasable hepatic lipase inhibitors
has_related_synonym: hepatic lipase inhibitor
has_related_synonym: hepatic lipase inhibitors
has_related_synonym: hepatic monoacylglycerol acyltransferase inhibitor
has_related_synonym: hepatic monoacylglycerol acyltransferase inhibitors
has_related_synonym: lipase inhibitor
has_related_synonym: lipase inhibitors
has_related_synonym: lipazin inhibitor
has_related_synonym: lipazin inhibitors
has_related_synonym: liver lipase inhibitor
has_related_synonym: liver lipase inhibitors
has_related_synonym: pancreatic lipase inhibitor
has_related_synonym: pancreatic lipase inhibitors
has_related_synonym: pancreatic triacylglycerol lipase inhibitor
has_related_synonym: pancreatic triacylglycerol lipase inhibitors
has_related_synonym: post-heparin plasma protamine-resistant lipase inhibitor
has_related_synonym: post-heparin plasma protamine-resistant lipase inhibitors
has_related_synonym: salt-resistant post-heparin lipase inhibitor
has_related_synonym: salt-resistant post-heparin lipase inhibitors
has_related_synonym: steapsin inhibitor
has_related_synonym: steapsin inhibitors
has_related_synonym: triacetinase inhibitor
has_related_synonym: triacetinase inhibitors
has_related_synonym: triacylglycerol ester hydrolase inhibitor
has_related_synonym: triacylglycerol ester hydrolase inhibitors
has_related_synonym: triacylglycerol lipase (EC 3.1.1.3) inhibitor
has_related_synonym: triacylglycerol lipase (EC 3.1.1.3) inhibitors
has_related_synonym: triacylglycerol lipase inhibitor
has_related_synonym: triacylglycerol lipase inhibitors
has_related_synonym: tributyrase inhibitor
has_related_synonym: tributyrase inhibitors
has_related_synonym: tributyrin esterase inhibitor
has_related_synonym: tributyrin esterase inhibitors
has_related_synonym: tributyrinase inhibitor
has_related_synonym: tributyrinase inhibitors
has_related_synonym: triglyceridase inhibitor
has_related_synonym: triglyceridase inhibitors
has_related_synonym: triglyceride hydrolase inhibitor
has_related_synonym: triglyceride hydrolase inhibitors
has_related_synonym: triglyceride lipase inhibitor
has_related_synonym: triglyceride lipase inhibitors
has_related_synonym: triolein hydrolase inhibitor
has_related_synonym: triolein hydrolase inhibitors
has_related_synonym: tween-hydrolysing esterase inhibitor
has_related_synonym: tween-hydrolyzing esterase inhibitors
imported from: chebi.owl

anti-asthmatic agent
type: Class
subclass of: application
definition: Any compound that has anti-asthmatic effects.
id: CHEBI:65023
has_related_synonym: anti-asthmatic agents
has_related_synonym: antiasthmatic agent
has_related_synonym: antiasthmatic agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

food preservative
type: Class
subclass of: food additive
id: CHEBI:65255
definition: Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes.
has_obo_namespace: chebi_ontology
has_related_synonym: food preservatives
imported from: chebi.owl

antimicrobial food preservative
type: Class
subclass of: antimicrobial agent
subclass of: food preservative
definition: A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
id: CHEBI:65256
has_related_synonym: antimicrobial food preservatives
has_related_synonym: antimicrobial preservative
has_related_synonym: antimicrobial preservatives
has_obo_namespace: chebi_ontology
imported from: chebi.owl

terpenoid indole alkaloid
type: Class
subclass of: indole alkaloid
definition: An indole alkaloid which is biosynthesised from L-tryptophan and isoprenoid building blocks.
id: CHEBI:65321
has_obo_namespace: chebi_ontology
has_related_synonym: terpenoid indole alkaloids
imported from: chebi.owl

monoterpenoid indole alkaloid
type: Class
subclass of: terpenoid indole alkaloid
definition: A terpenoid indole alkaloid which is biosynthesised from L-tryptophan and diisoprenoid (usually secolaganin) building blocks.
id: CHEBI:65323
database_cross_reference: PMID:18280746
database_cross_reference: PMID:20717879
database_cross_reference: PMID:21425787
database_cross_reference: PMID:22679912
has_obo_namespace: chebi_ontology
has_related_synonym: monoterpenoid indole alkaloids
imported from: chebi.owl

alkyl caffeate ester
type: Class
subclass of: catechols
subclass of: cinnamate ester
subclass of: Restriction
  on property: has functional parent
  some values from: caffeic acid
definition: A cinnamate ester obtained by formal condensation of caffeic acid with any alkyl alcohol.
has_related_synonym: C9H7O4R
id: CHEBI:65331
has_related_synonym: COC(=O)\C=C\c1ccc(O)c(O)c1
database_cross_reference: PMID:22797656
has_related_synonym: alkyl caffeate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

avicularin
type: Class
subclass of: alpha-L-arabinofuranoside
subclass of: tetrahydroxyflavone
subclass of: monosaccharide derivative
subclass of: quercetin O-glycoside
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: hepatoprotective agent
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl alpha-L-arabinofuranoside
has_related_synonym: 434.35030
definition: A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare.
has_related_synonym: Avicularine
has_related_synonym: Avicularoside
has_related_synonym: BDCDNTVZSILEOY-UXYNSRGZSA-N
has_related_synonym: C20H18O11
database_cross_reference: CAS:572-30-5
id: CHEBI:65460
has_related_synonym: Fenicularin
database_cross_reference: HMDB:HMDB30860
has_related_synonym: InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1
database_cross_reference: LIPID_MAPS_instance:LMPK12112167
database_cross_reference: PMID:12787957
database_cross_reference: PMID:14600382
database_cross_reference: PMID:17177509
database_cross_reference: PMID:17269066
database_cross_reference: PMID:21226126
database_cross_reference: PMID:22305062
database_cross_reference: PMID:22953911
database_cross_reference: PMID:2631115
has_related_synonym: Quercetin 3-alpha-L-arabinofuranoside
database_cross_reference: Reaxys:100404
has_obo_namespace: chebi_ontology
imported from: chebi.owl

lupeol
type: Class
subclass of: pentacyclic triterpenoid
subclass of: secondary alcohol
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory drug
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: lupane
has_exact_synonym: (3beta)-lup-20(29)-en-3-ol
has_related_synonym: 426.71740
definition: A pentacyclic triterpenoid that is lupane in which the hydrogen at the 3beta position is substituted by a hydroxy group. It occurs in the skin of lupin seeds, as well as in the latex of fig trees and of rubber plants. It is also found in many edible fruits and vegetables.
has_related_synonym: C30H50O
database_cross_reference: CAS:545-47-1
has_alternative_id: CHEBI:132397
id: CHEBI:6570
has_related_synonym: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
database_cross_reference: KEGG:C08628
database_cross_reference: KNApSAcK:C00003749
has_related_synonym: MQYXUWHLBZFQQO-QGTGJCAVSA-N
database_cross_reference: MetaCyc:CPD-90
database_cross_reference: PMID:10930257
database_cross_reference: PMID:16445885
database_cross_reference: PMID:17107079
database_cross_reference: PMID:21118697
database_cross_reference: PMID:21467639
database_cross_reference: PMID:21712449
database_cross_reference: PMID:9883589
database_cross_reference: Reaxys:2063497
has_related_synonym: beta-viscol
has_obo_namespace: chebi_ontology
has_related_synonym: fagarasterol
has_exact_synonym: lupeol
has_related_synonym: monogynol B
imported from: chebi.owl

hypoglaunine B
type: Class
subclass of: macrolide
subclass of: pyridine alkaloid
subclass of: sesquiterpene alkaloid
subclass of: acetate ester
subclass of: 2-furoate ester
subclass of: dihydroagarofuran sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: anti-HIV agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1,5,7,8,11-pentaacetoxy-2-furanoyl-4-hydroxy-3,15[2'-hydroxy-2',3'-dimethyl-3'-(3''-carboxy-4''-pyridyl)-propanoic acid]dicarbolactone-dihydroagarofuran
has_related_synonym: 873.80660
definition: A sesquiterpene alkaloid that is a macrolide incorporating a substituted pyridine and dihydroagarofuran moieties. Isolated from root barks of Tripterygium hypoglaucum, it exhibits anti-HIV activity.
has_related_synonym: C41H47NO20
id: CHEBI:66060
has_related_synonym: InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-35(49)26-11-10-14-53-26)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18?,27-,28-,29+,30-,31+,32-,33+,37+,38?,39+,40-,41+/m1/s1
has_related_synonym: JXQXTWWCCNHEQZ-PEWXIWONSA-N
database_cross_reference: PMID:10757718
database_cross_reference: Reaxys:8105725
has_obo_namespace: chebi_ontology
imported from: chebi.owl

salaspermic acid
type: Class
subclass of: hydroxy monocarboxylic acid
subclass of: cyclic ether
subclass of: hexacyclic triterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: friedelane
subclass of: Restriction
  on property: has role
  some values from: HIV-1 reverse transcriptase inhibitor
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (3S,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-3-hydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-3,5a-methanochryseno[2,1-c]oxepine-12(5H)-carboxylic acid
has_related_synonym: (3beta,20alpha)-3,24-epoxy-3-hydroxy-D:A-friedooleanan-29-oic acid
has_related_synonym: 472.69970
definition: A hexacyclic triterpenoid that is D:A-friedooleanan-29-oic acid substituted by a hydroxy group at position 3 and an epoxy group across positions 3 and 24 (the (3beta,20alpha stereoisomer). Isolated from Salacia macrosperma and Tripterygium wilfordii, it exhibits anti-HIV activity.
has_related_synonym: C30H48O4
database_cross_reference: CAS:71247-78-4
database_cross_reference: CBA:338605
database_cross_reference: CBA:371262
database_cross_reference: CBA:379028
id: CHEBI:66153
has_related_synonym: InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30+/m1/s1
database_cross_reference: PMID:1375626
database_cross_reference: PMID:17972583
database_cross_reference: PMID:7720147
database_cross_reference: PMID:8158155
database_cross_reference: Reaxys:4889115
has_related_synonym: ZXENWDWQTWYUGY-UUZWCOCASA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tripterifordin
type: Class
subclass of: tertiary alcohol
subclass of: organic heteropentacyclic compound
subclass of: diterpene lactone
subclass of: kaurane diterpenoid
subclass of: Restriction
  on property: has role
  some values from: anti-HIV agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (5beta,8alpha,13alpha)-16-hydroxy-18,20-epoxykauran-18-one
has_related_synonym: 318.45040
definition: A kaurane diterpenoid that is (5beta,8alpha,13alpha)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of Tripterygium wilfordii, it exhibits anti-HIV activity.
has_related_synonym: C20H30O3
database_cross_reference: CAS:139122-81-9
id: CHEBI:66275
has_related_synonym: InChI=1S/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1
has_related_synonym: KLMZPLYXGZZBCX-TYOHIEAGSA-N
database_cross_reference: KNApSAcK:C00041947
has_related_synonym: Kauran-18-oic acid, 16,20-dihydroxy-, delta-lactone,(4alpha)-
database_cross_reference: PMID:10579865
database_cross_reference: PMID:1602302
database_cross_reference: PMID:8328267
database_cross_reference: Reaxys:8587307
has_obo_namespace: chebi_ontology
has_related_synonym: hypodiolide A
imported from: chebi.owl

triptonine A
type: Class
subclass of: methyl ester
subclass of: pyridines
subclass of: sesquiterpene alkaloid
subclass of: terpene lactone
subclass of: acetate ester
subclass of: macrocyclic lactone
subclass of: Restriction
  on property: has role
  some values from: anti-HIV agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 945.91230
definition: A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum.
has_related_synonym: C45H55NO21
database_cross_reference: CAS:168009-84-5
id: CHEBI:66276
has_related_synonym: GHLDKPNDMMVFDQ-OFWWAFBUSA-N
has_related_synonym: InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20+,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1
database_cross_reference: PMID:10757718
database_cross_reference: Reaxys:8306033
has_obo_namespace: chebi_ontology
imported from: chebi.owl

triptonine B
type: Class
subclass of: methyl ester
subclass of: pyridines
subclass of: sesquiterpene alkaloid
subclass of: terpene lactone
subclass of: acetate ester
subclass of: macrocyclic lactone
subclass of: Restriction
  on property: has role
  some values from: anti-HIV agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 961.91170
definition: A sesquiterpene alkaloid with anti-HIV activity isolated from Tripterygium hypoglaucum.
has_related_synonym: C45H55NO22
database_cross_reference: CAS:168009-85-6
id: CHEBI:66277
has_related_synonym: GSBZVVMZYQMZBG-XMOOUNKUSA-N
has_related_synonym: InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1
database_cross_reference: PMID:10757718
database_cross_reference: Reaxys:8305955
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Magnoflorine
type: Class
subclass of: isoquinoline alkaloid
has_related_synonym: 342.410
definition: An isoquinoline alkaloid that has formula C20H24NO4.
has_related_synonym: C20H24NO4
database_cross_reference: CAS:2141-09-5
id: CHEBI:6641
has_related_synonym: COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
has_related_synonym: InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
database_cross_reference: KEGG:C09581
database_cross_reference: KNApSAcK:C00001885
has_exact_synonym: Magnoflorine
has_related_synonym: YLRXAIKMLINXQY-ZDUSSCGKSA-O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

sciscllascilloside E-1
type: Class
subclass of: primary alcohol
subclass of: ketone
subclass of: pentacyclic triterpenoid
subclass of: oxaspiro compound
subclass of: triterpenoid saponin
subclass of: pentasaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: 1223.35080
has_related_synonym: 15-deoxoeucosterol-3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
definition: A triterpenoid saponin isolated from Scilla scilloides and has been shown to exhibit anti-tumour activity.
has_related_synonym: C58H94O27
id: CHEBI:66439
has_related_synonym: InChI=1S/C58H94O27/c1-8-27(62)29-17-23(2)58(85-29)16-15-56(6)26-9-10-33-54(4,25(26)11-14-57(56,58)7)13-12-34(55(33,5)22-61)81-50-44(73)42(71)38(67)32(80-50)21-76-52-47(36(65)28(63)20-75-52)83-53-48(84-49-43(72)40(69)35(64)24(3)77-49)46(39(68)31(19-60)79-53)82-51-45(74)41(70)37(66)30(18-59)78-51/h23-24,28-53,59-61,63-74H,8-22H2,1-7H3/t23-,24+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58+/m1/s1
has_related_synonym: LLBZPESJRQGYMB-VFEURASPSA-N
database_cross_reference: PMID:12237544
database_cross_reference: Reaxys:6048738
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-sesamin
type: Class
subclass of: lignan
subclass of: benzodioxoles
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 354.35330
has_exact_synonym: 5,5'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(1,3-benzodioxole)
definition: A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity.
has_related_synonym: C20H18O6
database_cross_reference: CAS:607-80-7
id: CHEBI:66470
has_related_synonym: Fagarol
database_cross_reference: HMDB:HMDB34256
has_related_synonym: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
database_cross_reference: KEGG:C10882
database_cross_reference: KNApSAcK:C00000601
database_cross_reference: MetaCyc:CPD-8922
has_related_synonym: PEYUIKBAABKQKQ-AFHBHXEDSA-N
database_cross_reference: PMID:16309310
database_cross_reference: PMID:16785429
database_cross_reference: PMID:21043475
database_cross_reference: PMID:21973101
database_cross_reference: Reaxys:96118
has_related_synonym: Sezamin
database_cross_reference: Wikipedia:Sesamin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

malic acid
type: Class
subclass of: 2-hydroxydicarboxylic acid
subclass of: C4-dicarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: food acidity regulator
subclass of: Restriction
  on property: is conjugate acid of
  some values from: malate
subclass of: Restriction
  on property: has functional parent
  some values from: succinic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: malate(2-)
subclass of: Restriction
  on property: has role
  some values from: fundamental metabolite
has_related_synonym: 134.08744
has_related_synonym: 2-Hydroxybutanedioic acid
has_related_synonym: 2-Hydroxyethane-1,2-dicarboxylic acid
has_related_synonym: 2-Hydroxysuccinic acid
has_exact_synonym: 2-hydroxybutanedioic acid
definition: A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.
has_related_synonym: Aepfelsaeure
has_related_synonym: BJEPYKJPYRNKOW-UHFFFAOYSA-N
database_cross_reference: Beilstein:1723539
has_related_synonym: C4H6O5
database_cross_reference: CAS:6915-15-7
id: CHEBI:6650
has_related_synonym: DL-Malic acid
has_related_synonym: E296
database_cross_reference: Gmelin:3325
has_related_synonym: H2mal
database_cross_reference: HMDB:HMDB00744
has_related_synonym: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
database_cross_reference: KEGG:C00711
database_cross_reference: KEGG:D04843
has_exact_synonym: Malic acid
database_cross_reference: MetaCyc:RS-Malate
has_related_synonym: OC(CC(O)=O)C(O)=O
database_cross_reference: PMID:15767321
database_cross_reference: PMID:17190852
database_cross_reference: PMID:17439666
database_cross_reference: PMID:17896933
database_cross_reference: PMID:19743855
database_cross_reference: PMID:22411507
database_cross_reference: Reaxys:1723539
database_cross_reference: Wikipedia:Malic_acid
has_related_synonym: alpha-hydroxysuccinic acid
has_related_synonym: apple acid
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxybutanedioic acid
has_related_synonym: hydroxysuccinic acid
imported from: chebi.owl

maslinic acid
type: Class
subclass of: pentacyclic triterpenoid
subclass of: dihydroxy monocarboxylic acid
subclass of: Restriction
  on property: has parent hydride
  some values from: oleanane
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_exact_synonym: (2alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid
has_related_synonym: 472.69970
definition: A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 2 and 3 and a carboxy group at position 28 (the 2alpha,3beta stereoisomer). It is isolated from Olea europaea and Salvia canariensis and exhibits anti-inflammatory, antioxidant and antineoplastic activity.
has_related_synonym: C30H48O4
database_cross_reference: CAS:4373-41-5
id: CHEBI:66682
has_related_synonym: Crategolic acid
database_cross_reference: HMDB:HMDB02392
has_related_synonym: InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
database_cross_reference: KEGG:C16939
has_related_synonym: MDZKJHQSJHYOHJ-LLICELPBSA-N
has_related_synonym: Masilinic acid
database_cross_reference: PMID:12802735
database_cross_reference: PMID:21288041
database_cross_reference: PMID:21309591
database_cross_reference: PMID:21384845
database_cross_reference: PMID:21973054
database_cross_reference: PMID:23003682
database_cross_reference: PMID:23175023
database_cross_reference: Patent:CN102106861
database_cross_reference: Patent:CN102579456
database_cross_reference: Patent:US2011105611
database_cross_reference: Patent:WO2011015692
database_cross_reference: Reaxys:2711878
database_cross_reference: Wikipedia:Maslinic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Polpunonic acid
type: Class
subclass of: triterpenoid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 3-Oxofriedelan-20alpha-29-oic acid
has_related_synonym: 456.70030
definition: A triterpenoid that has formula C30H48O3.
has_related_synonym: C30H48O3
database_cross_reference: CAS:33600-93-0
id: CHEBI:66769
has_related_synonym: InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,25+,26+,27+,28-,29+,30-/m0/s1
has_related_synonym: Maytenonic acid
database_cross_reference: PMID:2095372
has_related_synonym: WHWHDGKOSUKYOV-GDXNDQEESA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

C4-dicarboxylic acid
type: Class
subclass of: dicarboxylic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: C4-dicarboxylate
definition: Any dicarboxylic acid that contains four carbon atoms.
has_related_synonym: C4-dicarboxylic acids
id: CHEBI:66873
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alanine zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: alanine
has_related_synonym: 2-ammoniopropanoate
has_exact_synonym: 2-azaniumylpropanoate
has_related_synonym: 89.09320
definition: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3.
has_related_synonym: C3H7NO2
has_related_synonym: CC([NH3+])C([O-])=O
id: CHEBI:66916
has_related_synonym: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
has_related_synonym: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-marmesin
type: Class
subclass of: marmesin
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-marmesin
has_related_synonym: (+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
has_exact_synonym: (+)-Marmesin
has_exact_synonym: (2S)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
has_related_synonym: (7S)-marmesin
has_related_synonym: (S)-(+)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
has_related_synonym: (S)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
has_related_synonym: (S)-marmesin
has_related_synonym: 246.25856
definition: A marmesin that has formula C14H14O4.
database_cross_reference: Beilstein:85844
has_related_synonym: C14H14O4
database_cross_reference: CAS:13849-08-6
id: CHEBI:6695
has_related_synonym: FWYSBEAFFPBAQU-LBPRGKRZSA-N
has_related_synonym: InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
database_cross_reference: KEGG:C09276
database_cross_reference: KNApSAcK:C00000584
database_cross_reference: LINCS:LSM-2799
has_related_synonym: Marmesin
has_related_synonym: S-(+)-marmesin
has_related_synonym: [H][C@]1(Cc2cc3ccc(=O)oc3cc2O1)C(C)(C)O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(-)-matairesinol
type: Class
subclass of: lignan
subclass of: polyphenol
subclass of: gamma-lactone
subclass of: Restriction
  on property: has role
  some values from: anti-asthmatic agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: angiogenesis inhibitor
subclass of: Restriction
  on property: has role
  some values from: phytoestrogen
has_exact_synonym: (-)-matairesinol
has_exact_synonym: (3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
has_related_synonym: 358.38510
has_related_synonym: 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone
definition: A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).
has_related_synonym: Artigenin congener
has_related_synonym: C20H22O6
database_cross_reference: CAS:580-72-3
has_alternative_id: CHEBI:43819
has_alternative_id: CHEBI:65005
id: CHEBI:6698
database_cross_reference: DrugBank:DB04200
has_related_synonym: InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
database_cross_reference: KEGG:C10682
database_cross_reference: KNApSAcK:C00000606
has_related_synonym: MATGKVZWFZHCLI-LSDHHAIUSA-N
has_related_synonym: Matairesinol
database_cross_reference: MetaCyc:CPD-8912
database_cross_reference: PDBeChem:MAX
database_cross_reference: PMID:15653677
database_cross_reference: PMID:19935713
database_cross_reference: PMID:20734328
database_cross_reference: PMID:21315909
database_cross_reference: PMID:21522091
database_cross_reference: PMID:21597179
database_cross_reference: PMID:21736835
database_cross_reference: PMID:22037685
database_cross_reference: PMID:22113872
database_cross_reference: PMID:22396124
database_cross_reference: PMID:22483751
database_cross_reference: PMID:22646817
database_cross_reference: Reaxys:93883
database_cross_reference: Wikipedia:Matairesinol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

radiation protective agent
type: Class
subclass of: protective agent
id: CHEBI:66987
has_obo_namespace: chebi_ontology
has_related_synonym: radiation protective agents
has_related_synonym: radiation protective drug
has_related_synonym: radiation protective drugs
imported from: chebi.owl

methyl-branched fatty acid anion
type: Class
subclass of: branched-chain fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: methyl-branched fatty acid
definition: Any branched-chain fatty acid anion containing methyl branches only.
id: CHEBI:67013
has_obo_namespace: chebi_ontology
has_related_synonym: methyl-branched fatty acid anions
imported from: chebi.owl

anti-inflammatory agent
type: Class
subclass of: application
definition: Any compound that has anti-inflammatory effects.
id: CHEBI:67079
has_related_synonym: anti-inflammatory agents
has_related_synonym: antiinflammatory agent
has_related_synonym: antiinflammatory agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

gap junctional intercellular communication inhibitor
type: Class
subclass of: inhibitor
definition: An inhibitor that interferes with the process of gap junctional intercellular communication.
id: CHEBI:67195
database_cross_reference: Wikipedia:Gap_junction
has_obo_namespace: chebi_ontology
has_related_synonym: gap junctional intercellular communication inhibitors
imported from: chebi.owl

retinoic acid receptor agonist
type: Class
subclass of: agonist
subclass of: retinoic acid receptor modulator
definition: An agonist that selectively binds to and activates a retinoic acid receptor.
id: CHEBI:67198
database_cross_reference: Wikipedia:Retinoic_acid_receptor
has_obo_namespace: chebi_ontology
has_related_synonym: retinoic acid receptor agonists
imported from: chebi.owl

AP-1 antagonist
type: Class
subclass of: antagonist
has_related_synonym: AP-1 antagonists
definition: An antogonist that interferes with the action of activator protein 1 (AP-1).
id: CHEBI:67199
database_cross_reference: Wikipedia:Activator_protein_1
has_related_synonym: activator protein-1 antagonist
has_related_synonym: activator protein-1 antagonists
has_obo_namespace: chebi_ontology
imported from: chebi.owl

provitamin A
type: Class
subclass of: provitamin
definition: A provitamin that can be converted into vitamin A by enzymes from animal tissues.
id: CHEBI:67200
has_obo_namespace: chebi_ontology
has_related_synonym: provitamin As
imported from: chebi.owl

EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor
type: Class
subclass of: EC 3.2.1.* (glycosidase) inhibitor
definition: An EC 3.2.1.* (glycosidase) inhibitor that inhibits the action of sucrose oligo-1,6-glucosidase (EC 3.2.1.10).
id: CHEBI:67232
has_related_synonym: EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitors
has_related_synonym: EC 3.2.1.10 inhibitor
has_related_synonym: EC 3.2.1.10 inhibitors
has_related_synonym: alpha-limit dextrinase inhibitor
has_related_synonym: alpha-limit dextrinase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: dextrin 6-glucanohydrolase inhibitor
has_related_synonym: dextrin 6-glucanohydrolase inhibitors
has_related_synonym: dextrin 6alpha-glucanohydrolase inhibitor
has_related_synonym: dextrin 6alpha-glucanohydrolase inhibitors
has_related_synonym: exo-oligo-1,6-glucosidase inhibitor
has_related_synonym: exo-oligo-1,6-glucosidase inhibitors
has_related_synonym: isomaltase inhibitor
has_related_synonym: isomaltase inhibitors
has_related_synonym: oligo-1,6-glucosidase (EC 3.2.1.10) inhibitor
has_related_synonym: oligo-1,6-glucosidase (EC 3.2.1.10) inhibitors
has_related_synonym: oligo-1,6-glucosidase inhibitor
has_related_synonym: oligo-1,6-glucosidase inhibitors
has_related_synonym: oligosaccharide alpha-1,6-glucohydrolase inhibitor
has_related_synonym: oligosaccharide alpha-1,6-glucohydrolase inhibitors
has_related_synonym: sucrase-isomaltase inhibitor
has_related_synonym: sucrase-isomaltase inhibitors
imported from: chebi.owl

EC 3.2.1.20 (alpha-glucosidase) inhibitor
type: Class
subclass of: EC 3.2.1.* (glycosidase) inhibitor
definition: An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20).
has_alternative_id: CHEBI:50628
id: CHEBI:67239
has_related_synonym: EC 3.2.1.20 (alpha-glucosidase) inhibitors
has_related_synonym: EC 3.2.1.20 inhibitor
has_related_synonym: EC 3.2.1.20 inhibitors
database_cross_reference: Wikipedia:Alpha-glucosidase_inhibitor
has_related_synonym: alpha-1,4-glucosidase inhibitor
has_related_synonym: alpha-1,4-glucosidase inhibitors
has_related_synonym: alpha-D-glucosidase inhibitor
has_related_synonym: alpha-D-glucosidase inhibitors
has_related_synonym: alpha-glucopyranosidase inhibitor
has_related_synonym: alpha-glucopyranosidase inhibitors
has_related_synonym: alpha-glucosidase (EC 3.2.1.20) inhibitor
has_related_synonym: alpha-glucosidase (EC 3.2.1.20) inhibitors
has_related_synonym: alpha-glucosidase inhibitor
has_related_synonym: alpha-glucosidase inhibitors
has_related_synonym: alpha-glucoside hydrolase inhibitor
has_related_synonym: alpha-glucoside hydrolase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: glucoinvertase inhibitor
has_related_synonym: glucoinvertase inhibitors
has_related_synonym: glucosidoinvertase inhibitor
has_related_synonym: glucosidoinvertase inhibitors
has_related_synonym: glucosidosucrase inhibitor
has_related_synonym: glucosidosucrase inhibitors
has_related_synonym: maltase inhibitor
has_related_synonym: maltase inhibitors
has_related_synonym: maltase-glucoamylase inhibitor
has_related_synonym: maltase-glucoamylase inhibitors
imported from: chebi.owl

(-)-lariciresinol
type: Class
subclass of: lignan
subclass of: oxolanes
subclass of: phenols
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-lariciresinol
has_exact_synonym: (-)-lariciresinol
has_related_synonym: 360.40100
has_exact_synonym: 4-[(2R,3S,4S)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxyphenol
definition: A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2R,3S,4S-diastereomer).
has_related_synonym: C20H24O6
database_cross_reference: CAS:83327-19-9
id: CHEBI:67244
has_related_synonym: InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1
has_related_synonym: Lariciresinol
has_related_synonym: MHXCIKYXNYCMHY-SXGZJXTBSA-N
database_cross_reference: MetaCyc:CPD-8908
database_cross_reference: PMID:21679690
database_cross_reference: PMID:22218086
database_cross_reference: PMID:22466741
database_cross_reference: PMID:8262939
database_cross_reference: Reaxys:5622895
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-lariciresinol
type: Class
subclass of: primary alcohol
subclass of: lignan
subclass of: oxolanes
subclass of: phenols
subclass of: aromatic ether
subclass of: Restriction
  on property: has role
  some values from: antifungal agent
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-lariciresinol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (+)-lariciresinol
has_related_synonym: 360.40100
has_exact_synonym: 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxyphenol
definition: A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer).
has_related_synonym: C20H24O6
database_cross_reference: CAS:27003-73-2
database_cross_reference: CAS:83327-19-9
id: CHEBI:67246
has_related_synonym: InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
database_cross_reference: KEGG:C10646
database_cross_reference: KNApSAcK:C00000602
has_related_synonym: Lariciresinol
has_related_synonym: MHXCIKYXNYCMHY-AUSJPIAWSA-N
database_cross_reference: MetaCyc:CPD-8907
database_cross_reference: PMID:21138310
database_cross_reference: PMID:21679690
database_cross_reference: PMID:21973054
database_cross_reference: PMID:22218086
database_cross_reference: PMID:8262939
database_cross_reference: Wikipedia:Lariciresinol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

quercetin 3-O-beta-D-galactopyranoside
type: Class
subclass of: beta-D-galactoside
subclass of: tetrahydroxyflavone
subclass of: monosaccharide derivative
subclass of: quercetin O-glycoside
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: hepatoprotective agent
has_related_synonym: 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-galactopyranoside
has_related_synonym: 464.37630
definition: A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity.
has_related_synonym: C21H20O12
database_cross_reference: CAS:482-36-0
has_alternative_id: CHEBI:5836
id: CHEBI:67486
database_cross_reference: HMDB:HMDB30775
has_related_synonym: Hyperin
has_related_synonym: Hyperoside
has_related_synonym: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
database_cross_reference: KEGG:C10073
database_cross_reference: KNApSAcK:C00005372
database_cross_reference: LINCS:LSM-5907
database_cross_reference: LIPID_MAPS_instance:LMPK12112041
has_related_synonym: OVSQVDMCBVZWGM-DTGCRPNFSA-N
database_cross_reference: PMID:21428416
database_cross_reference: PMID:22324400
database_cross_reference: PMID:23220618
database_cross_reference: PMID:23291593
database_cross_reference: PMID:23835282
database_cross_reference: PMID:24173369
has_related_synonym: Quercetin 3-galactoside
database_cross_reference: Reaxys:100990
database_cross_reference: Wikipedia:Hyperoside
has_obo_namespace: chebi_ontology
has_related_synonym: quercetin 3-O-galactoside
imported from: chebi.owl

daucosterol
type: Class
subclass of: beta-D-glucoside
subclass of: steroid saponin
subclass of: monosaccharide derivative
subclass of: Restriction
  on property: has parent hydride
  some values from: stigmastane
subclass of: Restriction
  on property: has functional parent
  some values from: sitosterol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (3beta)-stigmast-5-en-3-yl beta-D-glucopyranoside
has_related_synonym: 3-beta-(beta-D-glucopyranosyloxy)stigmast-5-ene
has_related_synonym: 576.84730
definition: A steroid saponin that is sitosterol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa.
has_related_synonym: BSSG
has_related_synonym: C35H60O6
database_cross_reference: CAS:474-58-8
id: CHEBI:67554
has_related_synonym: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
database_cross_reference: KEGG:D05848
database_cross_reference: MetaCyc:CPD-11608
has_related_synonym: NPJICTMALKLTFW-OFUAXYCQSA-N
database_cross_reference: PMID:23337296
database_cross_reference: PMID:23668009
database_cross_reference: PMID:24010320
database_cross_reference: PMID:24228585
database_cross_reference: PMID:7246155
database_cross_reference: Reaxys:100108
database_cross_reference: Wikipedia:Daucosterol
has_related_synonym: alexandrin
has_related_synonym: beta-daucosterol
has_related_synonym: beta-sitosterol 3-O-beta-D-glucopyranoside
has_related_synonym: beta-sitosteryl-beta-D-glucopyranoside
has_obo_namespace: chebi_ontology
has_related_synonym: coriandrinol
has_related_synonym: daucosterin
has_related_synonym: eleutheroside A
has_related_synonym: lyoniside
has_related_synonym: sitogluside
has_related_synonym: sitoglusidum
has_related_synonym: sterolin
imported from: chebi.owl

Mesaconitine
type: Class
subclass of: diterpenoid
has_related_synonym: 631.712
definition: A diterpenoid that has formula C33H45NO11.
has_related_synonym: C33H45NO11
database_cross_reference: CAS:2752-64-9
id: CHEBI:6773
has_related_synonym: InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
database_cross_reference: KEGG:C08698
database_cross_reference: KNApSAcK:C00001654
database_cross_reference: KNApSAcK:C00028576
has_exact_synonym: Mesaconitine
has_related_synonym: XUHJBXVYNBQQBD-TUWOXVOMSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

uvaol
type: Class
subclass of: triterpenoid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (3beta)-Urs-12-ene-3,28-diol
has_related_synonym: 442.71680
definition: A triterpenoid that has formula C30H50O2.
has_related_synonym: C30H50O2
database_cross_reference: CAS:545-46-0
id: CHEBI:67894
has_related_synonym: InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
database_cross_reference: PMID:21443171
has_related_synonym: XUARCIYIVXVTAE-ZAPOICBTSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

erythrodiol
type: Class
subclass of: primary alcohol
subclass of: diol
subclass of: pentacyclic triterpenoid
subclass of: secondary alcohol
subclass of: Restriction
  on property: has functional parent
  some values from: beta-amyrin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (3beta)-olean-12-ene-3,28-diol
has_related_synonym: 3beta,28-dihydroxy-ole-12-ene
has_related_synonym: 3beta-erythrodiol
has_related_synonym: 442.71680
definition: A pentacyclic triterpenoid that is beta-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species.
database_cross_reference: AGR:IND21806547
database_cross_reference: AGR:IND43745334
has_related_synonym: C30H50O2
database_cross_reference: CAS:545-48-2
id: CHEBI:67939
database_cross_reference: HMDB:HMDB02360
has_related_synonym: InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
database_cross_reference: KNApSAcK:C00019065
database_cross_reference: MetaCyc:CPD-14499
database_cross_reference: PMID:15522132
database_cross_reference: PMID:18384095
database_cross_reference: PMID:21443171
database_cross_reference: PMID:23587059
has_related_synonym: PSZDOEIIIJFCFE-OSQDELBUSA-N
database_cross_reference: Reaxys:2340203
has_obo_namespace: chebi_ontology
has_exact_synonym: erythrodiol
has_exact_synonym: olean-12-ene-3beta,28-diol
has_related_synonym: oleanolic alcohol
imported from: chebi.owl

3beta-acetoxyolean-18-en-28-oic acid
type: Class
subclass of: monocarboxylic acid
subclass of: pentacyclic triterpenoid
subclass of: acetate ester
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has parent hydride
  some values from: oleanane
has_exact_synonym: 3beta-(acetyloxy)olean-18-en-28-oic acid
has_related_synonym: 498.73700
definition: A pentacyclic triterpenoid that is olean-18-ene substituted by an acetyloxy group at position 3 and a carboxy group at position 28. It has been isolated from Juglans sinensis.
has_related_synonym: ATCLOZHDTYBRBI-MGIFRHGRSA-N
has_related_synonym: C32H50O4
id: CHEBI:67949
has_related_synonym: InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h19,21,23-25H,9-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,29+,30-,31-,32+/m1/s1
database_cross_reference: PMID:21309591
database_cross_reference: Reaxys:3180462
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-oxo-23-hydroxyurs-12-en-28-oic acid
type: Class
subclass of: monocarboxylic acid
subclass of: pentacyclic triterpenoid
subclass of: cyclic terpene ketone
subclass of: Restriction
  on property: has parent hydride
  some values from: ursane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 23-hydroxy-3-oxours-12-en-28-oic acid
has_related_synonym: 470.68380
definition: A pentacyclic triterpenoid that is urs-12-ene substituted by an oxo group at position 3, a carboxy group at position 28 and a hydroxy group at position 23. It has been isolated from Juglans sinensis.
has_related_synonym: C30H46O4
id: CHEBI:67951
has_related_synonym: InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1
database_cross_reference: PMID:21309591
has_related_synonym: RWFVBIQKMCLKMM-CARKBDGISA-N
database_cross_reference: Reaxys:6988922
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-epioleanolic acid
type: Class
subclass of: triterpenoid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (3alpha)-3-hydroxyolean-12-en-28-oic acid
has_related_synonym: 456.70030
definition: A triterpenoid that has formula C30H48O3.
has_related_synonym: C30H48O3
id: CHEBI:68103
has_related_synonym: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1
has_related_synonym: MIJYXULNPSFWEK-KDQGZELNSA-N
database_cross_reference: PMID:21469696
has_obo_namespace: chebi_ontology
imported from: chebi.owl

gallocatechin
type: Class
subclass of: catechin
subclass of: flavan-3,3',4',5,5',7-hexol
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
has_exact_synonym: (2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: 306.26750
definition: A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomaer). It is isolated from Acacia mearnsii.
has_related_synonym: C15H14O7
database_cross_reference: CAS:1617-55-6
database_cross_reference: CAS:970-73-0
id: CHEBI:68330
has_related_synonym: Gallocatechol
has_related_synonym: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
database_cross_reference: KEGG:C12127
database_cross_reference: KNApSAcK:C00008817
database_cross_reference: PMID:21192716
database_cross_reference: Reaxys:8867302
database_cross_reference: Wikipedia:Gallocatechol
has_related_synonym: XMOCLSLCDHWDHP-SWLSCSKDSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: gallocatechol
has_related_synonym: rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
imported from: chebi.owl

azole
type: Class
subclass of: organonitrogen heterocyclic compound
subclass of: monocyclic heteroarene
definition: Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.
id: CHEBI:68452
database_cross_reference: Wikipedia:Azole
has_related_synonym: azoles
has_obo_namespace: chebi_ontology
imported from: chebi.owl

apoptosis inhibitor
type: Class
subclass of: inhibitor
subclass of: biochemical role
definition: Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
id: CHEBI:68494
has_related_synonym: Type I cell-death inhibitor
has_related_synonym: Type I cell-death inhibitors
has_related_synonym: Type I programmed cell-death inhibitor
has_related_synonym: Type I programmed cell-death inhibitors
has_related_synonym: apoptosis inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

apoptosis inducer
type: Class
subclass of: biochemical role
definition: Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
id: CHEBI:68495
has_related_synonym: Type I cell-death inducer
has_related_synonym: Type I cell-death inducers
has_related_synonym: Type I programmed cell-death inducer
has_related_synonym: Type I programmed cell-death inducers
has_related_synonym: apoptosis inducers
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pectate
type: Class
subclass of: polyanionic polymer
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: pectin
has_related_synonym: (1,4-alpha-D-Galacturonide)n
has_related_synonym: (1,4-alpha-D-Galacturonosyl)n
has_related_synonym: (C6H7O6)nH2O
definition: An polyanionic polymer obtained by global deprotonation of the carboxy groups of pectin.
id: CHEBI:68837
has_related_synonym: De-esterified pectin
database_cross_reference: KEGG:C00470
database_cross_reference: KEGG:G10506
database_cross_reference: MetaCyc:PECTATE
has_related_synonym: Pectic acid
has_related_synonym: Poly(1,4-alpha-D-galacturonate)
has_related_synonym: Poly(1,4-alpha-D-galacturonate)(n)
has_related_synonym: Poly[1,4-alpha-D-galacturonide(1 )]
has_related_synonym: alpha-D-Polygalacturonic acid
has_obo_namespace: chebi_ontology
has_exact_synonym: pectate
has_related_synonym: pectate polyanion
imported from: chebi.owl

hydroxytyrosol
type: Class
subclass of: primary alcohol
subclass of: catechols
subclass of: Restriction
  on property: has functional parent
  some values from: 2-(4-hydroxyphenyl)ethanol
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_related_synonym: 154.16320
has_related_synonym: 3,4-dihydroxyphenylethanol
has_exact_synonym: 4-(2-hydroxyethyl)benzene-1,2-diol
definition: A member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities.
has_related_synonym: C8H10O3
database_cross_reference: CAS:10597-60-1
id: CHEBI:68889
has_related_synonym: InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
has_related_synonym: JUUBCHWRXWPFFH-UHFFFAOYSA-N
database_cross_reference: LINCS:LSM-36968
has_related_synonym: OCCc1ccc(O)c(O)c1
database_cross_reference: PMID:22014120
database_cross_reference: PMID:22924436
database_cross_reference: PMID:23017390
database_cross_reference: PMID:23244583
database_cross_reference: Reaxys:2208118
database_cross_reference: Wikipedia:Hydroxytyrosol
has_obo_namespace: chebi_ontology
has_related_synonym: dopet
imported from: chebi.owl

Tracheloside
type: Class
subclass of: glycoside
subclass of: lignan
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-3-hydroxy-, (3S-cis)-
has_related_synonym: 550.55170
definition: A lignan that has formula C27H34O12.
has_related_synonym: C27H34O12
database_cross_reference: CAS:33464-71-0
id: CHEBI:68939
has_related_synonym: InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1
has_related_synonym: LWYAMIUSVGPFKS-CGLYQLBNSA-N
database_cross_reference: PMID:22060189
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nantenine
type: Class
subclass of: isoquinoline alkaloid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline
has_related_synonym: 339.38500
has_related_synonym: 6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-
definition: An isoquinoline alkaloid that has formula C20H21NO4.
has_related_synonym: C20H21NO4
database_cross_reference: CAS:2565-01-7
id: CHEBI:68992
has_related_synonym: Domestine
has_related_synonym: InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
database_cross_reference: PMID:22029392
has_related_synonym: WSVWKHTVFGTTKJ-AWEZNQCLSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: o-Methyldomesticine
imported from: chebi.owl

methyl linoleate
type: Class
subclass of: fatty acid methyl ester
subclass of: Restriction
  on property: has functional parent
  some values from: linoleic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-O-methyl (9Z,12Z)-octadecadienoate
has_related_synonym: 294.47210
definition: A fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis.
has_related_synonym: C19H34O2
database_cross_reference: CAS:112-63-0
has_related_synonym: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
id: CHEBI:69080
has_related_synonym: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
has_related_synonym: Methyl 9-cis,12-cis-octadecadienoate
database_cross_reference: PMID:22148193
database_cross_reference: Reaxys:1727614
has_related_synonym: WTTJVINHCBCLGX-NQLNTKRDSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: linoleic acid methyl ester
has_exact_synonym: methyl (9Z,12Z)-octadeca-9,12-dienoate
imported from: chebi.owl

Methyl palmitate
type: Class
subclass of: fatty acid methyl ester
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 270.45070
definition: A fatty acid methyl ester that has formula C17H34O2.
has_related_synonym: C17H34O2
database_cross_reference: CAS:112-39-0
has_related_synonym: CCCCCCCCCCCCCCCC(=O)OC
id: CHEBI:69187
database_cross_reference: ChemIDplus:0000112390
has_related_synonym: FLIACVVOZYBSBS-UHFFFAOYSA-N
database_cross_reference: HMDB:HMDB61859
has_related_synonym: Hexadecanoate methyl ester
has_related_synonym: Hexadecanoic acid methyl ester
has_related_synonym: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
database_cross_reference: KEGG:C16995
has_related_synonym: Methyl hexadecanoate
has_exact_synonym: Methyl palmitate
has_related_synonym: Methyl palmitic acid
database_cross_reference: PMID:118159
database_cross_reference: PMID:12143008
database_cross_reference: PMID:12872920
database_cross_reference: PMID:12939035
database_cross_reference: PMID:13018208
database_cross_reference: PMID:13827622
database_cross_reference: PMID:1707612
database_cross_reference: PMID:21240761
database_cross_reference: PMID:22148193
database_cross_reference: PMID:24421258
database_cross_reference: PMID:3833822
database_cross_reference: PMID:8130610
has_obo_namespace: chebi_ontology
has_exact_synonym: methyl hexadecanoate
imported from: chebi.owl

ergosta-4,6,8(14),22-tetraen-3-one
type: Class
subclass of: 3-oxo Delta(4)-steroid
subclass of: ergostanoid
subclass of: Restriction
  on property: has role
  some values from: fungal metabolite
has_exact_synonym: (22E)-ergosta-4,6,8(14),22-tetraen-3-one
has_related_synonym: 24-methylcholesta-4,6,8(14),22-tetraen-3-one
has_related_synonym: 392.61660
definition: An ergostanoid that is (22E)-ergosta-4,6,8(14),22-tetraene substituted by an oxo group at position 3. It has been isolated from the mycelia of Cordyceps sinensis.
has_related_synonym: C28H40O
database_cross_reference: CAS:19254-69-4
has_alternative_id: CHEBI:68084
id: CHEBI:69431
has_related_synonym: InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1
has_related_synonym: OIMXTYUHMBQQJM-HSVWHVBGSA-N
database_cross_reference: PMID:21043476
database_cross_reference: PMID:21226488
database_cross_reference: PMID:21428374
database_cross_reference: PMID:21848266
database_cross_reference: Reaxys:3223568
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-isolariciresinol
type: Class
subclass of: primary alcohol
subclass of: lignan
subclass of: monomethoxybenzene
subclass of: polyphenol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
has_related_synonym: 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol
has_related_synonym: 360.40100
definition: A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3-methoxyphenyl group at position 8. It has been isolated from the roots of Rubia yunnanensis.
has_related_synonym: C20H24O6
database_cross_reference: CAS:548-29-8
id: CHEBI:69542
has_related_synonym: InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
has_related_synonym: OGFXBIXJCWAUCH-KPHUOKFYSA-N
database_cross_reference: PMID:21138310
database_cross_reference: PMID:21973054
database_cross_reference: Reaxys:2019804
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hederagenin
type: Class
subclass of: pentacyclic triterpenoid
subclass of: sapogenin
subclass of: dihydroxy monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: oleanolic acid
subclass of: Restriction
  on property: has parent hydride
  some values from: oleanane
has_exact_synonym: (3beta)-3,23-dihydroxyolean-12-en-28-oic acid
has_related_synonym: 472.69970
definition: A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer).
has_related_synonym: Astrantiagenin E
has_related_synonym: C30H48O4
database_cross_reference: CAS:465-99-6
id: CHEBI:69579
has_related_synonym: Caulosapogenin
has_related_synonym: Hederagenic acid
has_related_synonym: Hederagenol
has_related_synonym: InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
database_cross_reference: MetaCyc:CPD-9481
has_related_synonym: PGOYMURMZNDHNS-MYPRUECHSA-N
database_cross_reference: PMID:22005599
database_cross_reference: PMID:23530040
database_cross_reference: Patent:CN101564405
database_cross_reference: Patent:CN102633857
database_cross_reference: Patent:CN102697791
database_cross_reference: Reaxys:2711855
database_cross_reference: Wikipedia:Hederagenin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Paeonol
type: Class
subclass of: phenols
subclass of: methoxybenzene
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 1-(2-Hydroxy-4-methoxyphenyl)ethanone
has_related_synonym: 166.17390
has_related_synonym: 4-O-Methylresacetophenone
definition: A methoxybenzene that has formula C9H10O3.
has_related_synonym: C9H10O3
database_cross_reference: CAS:552-41-0
id: CHEBI:69581
has_alternative_id: CHEBI:7890
has_related_synonym: COc1ccc(C(C)=O)c(O)c1
has_related_synonym: InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
database_cross_reference: KEGG:C10712
database_cross_reference: KNApSAcK:C00002704
database_cross_reference: LINCS:LSM-24937
database_cross_reference: PMID:21954959
has_exact_synonym: Paeonol
has_related_synonym: UILPJVPSNHJFIK-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Paeoniflorigenone
type: Class
subclass of: benzoate ester
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 318.32120
definition: A benzoate ester that has formula C17H18O6.
has_related_synonym: BANPEMKDTXIFRE-LQPBRMSDSA-N
has_related_synonym: C17H18O6
database_cross_reference: CAS:80454-42-8
id: CHEBI:69582
has_related_synonym: InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1
database_cross_reference: PMID:21954959
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Benzoylpaeoniflorin
type: Class
subclass of: terpene glycoside
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 584.56790
definition: A terpene glycoside that has formula C30H32O12.
has_related_synonym: C30H32O12
id: CHEBI:69583
has_related_synonym: InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1
has_related_synonym: LATYEZNGPQKAIK-HRCYFWENSA-N
database_cross_reference: PMID:21954959
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Palbinone
type: Class
subclass of: 16-oxo steroid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 18-Norandrosta-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,14-tetramethyl-, (3beta,5alpha)-
has_related_synonym: 358.47120
definition: A 16-oxo steroid that has formula C22H30O4.
has_related_synonym: C22H30O4
database_cross_reference: CAS:139954-00-0
id: CHEBI:69584
has_related_synonym: InChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1
has_related_synonym: KIAKLFLISZCITK-PPAUHQMUSA-N
database_cross_reference: PMID:21954959
has_obo_namespace: chebi_ontology
imported from: chebi.owl

kaempferol-3-rutinoside
type: Class
subclass of: rutinoside
subclass of: trihydroxyflavone
subclass of: disaccharide derivative
subclass of: kaempferol O-glucoside
subclass of: Restriction
  on property: has role
  some values from: radical scavenger
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
has_exact_synonym: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
has_related_synonym: 594.51810
definition: A kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme.
has_related_synonym: C27H30O15
database_cross_reference: CAS:17650-84-9
id: CHEBI:69657
has_related_synonym: InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
has_related_synonym: Kaempferol-3-O-beta-rutinoside
database_cross_reference: PMID:21962208
database_cross_reference: PMID:22677447
database_cross_reference: PMID:23912804
database_cross_reference: PMID:24123927
database_cross_reference: PMID:24128471
has_related_synonym: RTATXGUCZHCSNG-QHWHWDPRSA-N
database_cross_reference: Reaxys:74581
has_obo_namespace: chebi_ontology
has_related_synonym: kaempferol 3-O-(6''-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
has_related_synonym: nicotiflorin
imported from: chebi.owl

Veraguensin
type: Class
subclass of: lignan
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (2R,3S,4S,5S)-2,5-Bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran
has_related_synonym: 372.45470
definition: A lignan that has formula C22H28O5.
has_related_synonym: C22H28O5
database_cross_reference: CAS:19950-55-1
id: CHEBI:69669
has_related_synonym: InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1
has_related_synonym: JLJAVUZBHSLLJL-GKHNXXNSSA-N
database_cross_reference: KEGG:C10892
database_cross_reference: KNApSAcK:C00002633
database_cross_reference: PMID:21936523
has_obo_namespace: chebi_ontology
imported from: chebi.owl

5-Methoxygalbelgin
type: Class
subclass of: lignan
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 402.48070
definition: A lignan that has formula C23H30O6.
has_related_synonym: C23H30O6
id: CHEBI:69670
has_related_synonym: FUFHSLKNBJRCDG-WJWAULOUSA-N
has_related_synonym: InChI=1S/C23H30O6/c1-13-14(2)22(16-11-19(26-5)23(28-7)20(12-16)27-6)29-21(13)15-8-9-17(24-3)18(10-15)25-4/h8-14,21-22H,1-7H3/t13-,14-,21-,22-/m0/s1
database_cross_reference: PMID:21936523
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pellitorine
type: Class
subclass of: fatty amide
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
has_related_synonym: (2E,4E)-N-isobutyl-2,4-decadienamide
has_related_synonym: 223.35440
definition: A fatty amide that has formula C14H25NO.
has_related_synonym: C14H25NO
database_cross_reference: CAS:18836-52-7
has_related_synonym: CCCCC\C=C\C=C\C(=O)NCC(C)C
id: CHEBI:69686
has_related_synonym: InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
has_related_synonym: MAGQQZHFHJDIRE-BNFZFUHLSA-N
database_cross_reference: PMID:21158422
database_cross_reference: PMID:21973101
has_obo_namespace: chebi_ontology
has_related_synonym: trans-Pellitorin
imported from: chebi.owl

Euonymine
type: Class
subclass of: terpene lactone
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25R)-20-(Acetoxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0[1,20].0[3,23].0[7,12]]pentacosa-7,9,11-trien e-18,19,21,22,24-pentayl pentaacetate
has_related_synonym: 805.77570
definition: A terpene lactone that has formula C38H47NO18.
has_related_synonym: C38H47NO18
database_cross_reference: CAS:33458-82-1
id: CHEBI:69763
has_related_synonym: InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16-,17-,25+,27+,28-,29+,30-,31+,32-,35-,36-,37-,38-/m0/s1
has_related_synonym: PBFGAFDJVQAMRS-MNPNNVDDSA-N
database_cross_reference: PMID:21634414
has_obo_namespace: chebi_ontology
imported from: chebi.owl

loliolide
type: Class
subclass of: benzofurans
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
has_related_synonym: 196.24290
definition: A benzofuran that has formula C11H16O3.
has_related_synonym: C11H16O3
database_cross_reference: CAS:5989-02-6
has_related_synonym: CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12
id: CHEBI:69774
has_related_synonym: InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
database_cross_reference: PMID:21634415
has_related_synonym: XEVQXKKKAVVSMW-WRWORJQWSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

osthole
type: Class
subclass of: coumarins
subclass of: botanical anti-fungal agent
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 244.28570
has_related_synonym: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-
definition: A botanical anti-fungal agent that has formula C15H16O3.
has_related_synonym: C15H16O3
database_cross_reference: CAS:484-12-8
id: CHEBI:69832
has_related_synonym: COc1ccc2ccc(=O)oc2c1CC=C(C)C
has_related_synonym: Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-
has_related_synonym: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
database_cross_reference: KEGG:C09280
database_cross_reference: KNApSAcK:C00002488
database_cross_reference: LINCS:LSM-3762
has_related_synonym: MBRLOUHOWLUMFF-UHFFFAOYSA-N
database_cross_reference: PMID:21627108
has_obo_namespace: chebi_ontology
imported from: chebi.owl

oppsit-4(15)-ene-1beta,11-diol
type: Class
subclass of: sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (1R,3aR,4R,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
has_related_synonym: 238.36570
definition: A sesquiterpenoid that has formula C15H26O2.
has_related_synonym: C15H26O2
id: CHEBI:69848
has_related_synonym: InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1
database_cross_reference: PMID:21561060
has_related_synonym: UACKNRNYUIAHPT-BHPKHCPMSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

morusin
type: Class
subclass of: trihydroxyflavone
subclass of: extended flavonoid
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
has_related_synonym: 420.45450
definition: An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.
has_related_synonym: C25H24O6
database_cross_reference: CAS:62596-29-6
id: CHEBI:7005
database_cross_reference: HMDB:HMDB36631
has_related_synonym: InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
database_cross_reference: KEGG:C10106
database_cross_reference: KNApSAcK:C00001070
database_cross_reference: PMID:25237377
database_cross_reference: PMID:25476160
database_cross_reference: PMID:25628938
database_cross_reference: Reaxys:1442330
has_related_synonym: XFFOMNJIDRDDLQ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

4'-O-methylepigallocatechin
type: Class
subclass of: catechin
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: 320.29400
definition: A catechin that has formula C16H16O7.
has_related_synonym: C16H16O7
id: CHEBI:70253
has_related_synonym: ITDYPNOEEHONAH-UKRRQHHQSA-N
has_related_synonym: InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15-/m1/s1
has_related_synonym: Ourateacatechin
database_cross_reference: PMID:21080642
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Tormentic acid
type: Class
subclass of: triterpenoid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: (2alpha,3beta)-2,3,19-Trihydroxyurs-12-en-28-oic acid
has_related_synonym: 488.69910
definition: A triterpenoid that has formula C30H48O5.
has_related_synonym: C30H48O5
id: CHEBI:70682
has_related_synonym: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
has_related_synonym: OXVUXGFZHDKYLS-BLIWDXROSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

topoisomerase inhibitor
type: Class
subclass of: EC 5.99.1.* (miscellaneous isomerase) inhibitor
definition: An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA).
id: CHEBI:70727
database_cross_reference: Wikipedia:Topoisomerase
has_obo_namespace: chebi_ontology
has_related_synonym: topoisomerase inhibitors
imported from: chebi.owl

antileishmanial agent
type: Class
subclass of: antiprotozoal drug
definition: An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
id: CHEBI:70868
has_related_synonym: antileishmanial agents
has_related_synonym: antileishmanial drug
has_related_synonym: antileishmanial drugs
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hexacyclic triterpenoid
type: Class
subclass of: triterpenoid
subclass of: organic polycyclic compound
definition: A triterpenoid that consists of a hexacyclic ring system.
id: CHEBI:70994
has_obo_namespace: chebi_ontology
has_related_synonym: hexacyclic triterpenoids
imported from: chebi.owl

extended flavonoid
type: Class
subclass of: flavonoid
definition: Any flavonoid with one or more rings fused on to the phenyl substituted benzopyran framework.
id: CHEBI:71037
has_obo_namespace: chebi_ontology
has_related_synonym: extended flavonoids
imported from: chebi.owl

flavan-3,3',4',5,5',7-hexol
type: Class
subclass of: polyphenol
subclass of: secondary alcohol
subclass of: hydroxyflavan
has_related_synonym: 306.26750
definition: A hydroxyflavan that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group.
has_related_synonym: C15H14O7
id: CHEBI:71224
has_related_synonym: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2
has_related_synonym: OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1
has_related_synonym: XMOCLSLCDHWDHP-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-epigallocatechin
type: Class
subclass of: flavan-3,3',4',5,5',7-hexol
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-epigallocatechin
has_related_synonym: (+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
has_related_synonym: (+)-cis-3,3',4',5,5',7-hexahydroxyflavane
has_related_synonym: (+)-epi-gallocatechin
has_related_synonym: (2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_exact_synonym: (2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: (2S,3S)-flavan-3,3',4',5,5',7-hexol
has_related_synonym: (2S,3S)-flavan-3,5,7,3',4',5'-hexol
has_related_synonym: 306.26750
definition: A flavan-3,3',4',5,5',7-hexol that has (2S,3S)-configuration.
has_related_synonym: C15H14O7
id: CHEBI:71227
has_related_synonym: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1
has_related_synonym: XMOCLSLCDHWDHP-WFASDCNBSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 2.* (transferase) inhibitor
type: Class
subclass of: enzyme inhibitor
definition: An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)
id: CHEBI:71300
has_related_synonym: EC 2 inhibitor
has_related_synonym: EC 2 inhibitors
has_related_synonym: EC 2.* (transferase) inhibitors
has_related_synonym: EC 2.* inhibitor
has_related_synonym: EC 2.* inhibitors
database_cross_reference: Wikipedia:Transferase
has_obo_namespace: chebi_ontology
has_related_synonym: transferase inhibitor
has_related_synonym: transferase inhibitors
imported from: chebi.owl

hexadec-9-enoate
type: Class
subclass of: hexadecenoate
subclass of: Restriction
  on property: is conjugate base of
  some values from: hexadec-9-enoic acid
has_related_synonym: 253.40030
has_related_synonym: 9-hexadecenoate
has_related_synonym: 9-hexadecenoate(1-)
definition: A long-chain unsaturated fatty acid anion that is the conjugate base of hexadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
has_related_synonym: C16H29O2
id: CHEBI:71449
has_related_synonym: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/p-1
has_related_synonym: SECPZKHBENQXJG-UHFFFAOYSA-M
has_related_synonym: [H]C(CCCCCC)=C([H])CCCCCCCC([O-])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadec-9-enoate
has_related_synonym: hexadec-9-enoate(1-)
imported from: chebi.owl

EC 2.3.1.85 (fatty acid synthase) inhibitor
type: Class
subclass of: EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor
has_related_synonym: (FAS) inhibitors
definition: An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of fatty acid synthase (EC 2.3.1.85), a multi-enzyme protein involved in fatty acid synthesis.
id: CHEBI:71476
has_related_synonym: EC 2.3.1.85 (fatty acid synthase) inhibitors
has_related_synonym: EC 2.3.1.85 inhibitor
has_related_synonym: EC 2.3.1.85 inhibitors
database_cross_reference: Wikipedia:Fatty-acid_synthase
has_related_synonym: acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitor
has_related_synonym: acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid synthase (EC 2.3.1.85) inhibitor
has_related_synonym: fatty acid synthase (EC 2.3.1.85) inhibitors
has_related_synonym: fatty acid synthase inhibitor
has_related_synonym: fatty acid synthase inhibitors
imported from: chebi.owl

dihydroagarofuran
type: Class
subclass of: organic heterotricyclic compound
subclass of: bridged compound
subclass of: cyclic ether
subclass of: eudesmane sesquiterpenoid
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (3R,5aS,9R,9aS)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine
has_related_synonym: 222.36630
definition: A eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer).
has_related_synonym: C15H26O
id: CHEBI:71547
has_related_synonym: HVAVUZLEYSAYGE-UXOAXIEHSA-N
has_related_synonym: InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1
database_cross_reference: PMID:16901807
database_cross_reference: Reaxys:1423249
has_obo_namespace: chebi_ontology
has_related_synonym: dihydro-beta-agarofuran
imported from: chebi.owl

dihydroagarofuran sesquiterpenoid
type: Class
subclass of: sesquiterpenoid
subclass of: Restriction
  on property: has parent hydride
  some values from: dihydroagarofuran
definition: Any sesquiterpenoid with a dihydroagarofuran skeleton.
id: CHEBI:71548
database_cross_reference: PMID:17898902
has_obo_namespace: chebi_ontology
has_related_synonym: dihydroagarofuran sesquiterpenoids
imported from: chebi.owl

friedelane
type: Class
subclass of: triterpene
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (4aR,6aR,6bS,8aR,9S,12aR,12bS,14aS,14bR)-2,2,4a,6a,8a,9,12b,14a-octamethyldocosahydropicene
has_related_synonym: 412.73390
definition: A triterpene that is docosahydropicene substituted by 8 methyl groups at positions 2, 2, 4a, 6a, 8a, 9, 12b and 14a.
has_related_synonym: C30H52
id: CHEBI:71575
has_related_synonym: InChI=1S/C30H52/c1-21-10-9-11-22-27(21,5)13-12-23-28(22,6)17-19-30(8)24-20-25(2,3)14-15-26(24,4)16-18-29(23,30)7/h21-24H,9-20H2,1-8H3/t21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
has_related_synonym: KVSNMTUIMXZPLU-XOZXFAFYSA-N
database_cross_reference: PMID:22224263
database_cross_reference: Reaxys:2055185
has_obo_namespace: chebi_ontology
imported from: chebi.owl

gamma-amino acid anion
type: Class
subclass of: amino-acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: gamma-amino acid
definition: An amino-acid anion in which the amino group is situated gamma- to the carboxylate group.
id: CHEBI:71666
has_obo_namespace: chebi_ontology
has_related_synonym: gamma-amino acid anions
imported from: chebi.owl

hexadec-9-enoic acid
type: Class
subclass of: hexadecenoic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: hexadec-9-enoate
has_related_synonym: 16:1 omega-7
has_related_synonym: 254.40820
has_related_synonym: 9-hexadecenoic acid
definition: A hexadecenoic acid in which the double bond is located at position 9.
has_related_synonym: C16H30O2
id: CHEBI:72004
has_related_synonym: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)
database_cross_reference: Reaxys:1781015
has_related_synonym: SECPZKHBENQXJG-UHFFFAOYSA-N
has_related_synonym: [H]C(CCCCCC)=C([H])CCCCCCCC(O)=O
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadec-9-enoic acid
imported from: chebi.owl

hydroxyflavan
type: Class
subclass of: organic hydroxy compound
subclass of: flavans
definition: A member of the class of flavans in which one or more ring hydrogens are replaced by hydroxy groups.
has_alternative_id: CHEBI:24036
id: CHEBI:72010
has_obo_namespace: chebi_ontology
has_related_synonym: flavanols
has_related_synonym: hydroxyflavans
imported from: chebi.owl

2-(hydroxymethyl)piperidine-3,4,5-triol
type: Class
subclass of: hydroxypiperidine
has_related_synonym: 2-(hydroxymethyl)piperidine-3,4,5-triols
definition: A hydroxypiperidine that has three hydroxy groups located at positions 3, 4 and 5 as well as a hydroxymethyl substituent at position 2.
id: CHEBI:72490
has_obo_namespace: chebi_ontology
imported from: chebi.owl

flavonoids
type: Class
subclass of: oxygen molecular entity
subclass of: organic molecular entity
definition: Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them.
id: CHEBI:72544
database_cross_reference: Wikipedia:Flavonoids
has_obo_namespace: chebi_ontology
has_related_synonym: flavonoid
imported from: chebi.owl

organic molecule
type: Class
subclass of: molecule
subclass of: organic molecular entity
definition: Any molecule that consists of at least one carbon atom as part of the electrically neutral entity.
id: CHEBI:72695
has_obo_namespace: chebi_ontology
has_related_synonym: organic molecules
imported from: chebi.owl

flavonoid oligomer
type: Class
subclass of: phenylpropanoid
subclass of: 1-benzopyran
subclass of: flavonoids
definition: A phenylpropanoid obtained by the coupling of two or more units of aryl-substituted benzopyran units and their substituted derivatives.
id: CHEBI:72720
has_obo_namespace: chebi_ontology
has_related_synonym: flavonoid oligomers
imported from: chebi.owl

flavanone glycoside
type: Class
subclass of: glycoside
subclass of: flavanones
definition: A member of the class of flavanones having one or more glycosyl residues attached at unspecified positions.
id: CHEBI:72730
has_obo_namespace: chebi_ontology
has_related_synonym: flavanone glycosides
imported from: chebi.owl

EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor
type: Class
subclass of: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
has_related_synonym: ALR3 inhibitor
has_related_synonym: ALR3 inhibitors
definition: An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of carbonyl reductase (NADPH), EC 1.1.1.184.
id: CHEBI:73136
has_related_synonym: EC 1.1.1.184 (carbonyl reductase (NADPH)) inhibitor
has_related_synonym: EC 1.1.1.184 (carbonyl reductase (NADPH)) inhibitors
has_related_synonym: EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitors
has_related_synonym: EC 1.1.1.184 inhibitor
has_related_synonym: EC 1.1.1.184 inhibitors
has_related_synonym: NADPH2-dependent carbonyl reductase inhibitor
has_related_synonym: NADPH2-dependent carbonyl reductase inhibitors
database_cross_reference: Wikipedia:Carbonyl_reductase_(NADPH)
has_related_synonym: aldehyde reductase 1 inhibitor
has_related_synonym: aldehyde reductase 1 inhibitors
has_related_synonym: carbonyl reductase (NADPH) (EC 1.1.1.184) inhibitor
has_related_synonym: carbonyl reductase (NADPH) (EC 1.1.1.184) inhibitors
has_related_synonym: carbonyl reductase (NADPH) inhibitor
has_related_synonym: carbonyl reductase (NADPH) inhibitors
has_related_synonym: carbonyl reductase (NADPH2) inhibitor
has_related_synonym: carbonyl reductase (NADPH2) inhibitors
has_related_synonym: carbonyl reductase inhibitor
has_related_synonym: carbonyl reductase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: nonspecific NADPH-dependent carbonyl reductase inhibitor
has_related_synonym: nonspecific NADPH-dependent carbonyl reductase inhibitors
has_related_synonym: prostaglandin 9-ketoreductase inhibitor
has_related_synonym: prostaglandin 9-ketoreductase inhibitors
has_related_synonym: secondary-alcohol:NADP+ oxidoreductase inhibitor
has_related_synonym: secondary-alcohol:NADP+ oxidoreductase inhibitors
has_related_synonym: xenobiotic ketone reductase inhibitor
has_related_synonym: xenobiotic ketone reductase inhibitors
imported from: chebi.owl

EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors
type: Class
subclass of: EC 1.11.1.* (peroxidases) inhibitor
definition: An EC 1.11.1.* (peroxidases) inhibitor that inhibits the action of L-ascorbate peroxidase (EC 1.11.1.11).
id: CHEBI:73181
has_exact_synonym: EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors
has_related_synonym: EC 1.11.1.11 inhibitor
has_related_synonym: EC 1.11.1.11 inhibitors
has_related_synonym: L-ascorbate peroxidase (EC 1.11.1.11) inhibitor
has_related_synonym: L-ascorbate peroxidase (EC 1.11.1.11) inhibitors
has_related_synonym: L-ascorbate peroxidase inhibitor
has_related_synonym: L-ascorbate peroxidase inhibitors
has_related_synonym: L-ascorbate:hydrogen-peroxide oxidoreductase inhibitor
has_related_synonym: L-ascorbate:hydrogen-peroxide oxidoreductase inhibitors
has_related_synonym: L-ascorbic acid peroxidase inhibitor
has_related_synonym: L-ascorbic acid peroxidase inhibitors
has_related_synonym: L-ascorbic acid-specific peroxidase inhibitor
has_related_synonym: L-ascorbic acid-specific peroxidase inhibitors
database_cross_reference: Wikipedia:L-ascorbate_peroxidase
has_related_synonym: ascorbate peroxidase inhibitor
has_related_synonym: ascorbate peroxidase inhibitors
has_related_synonym: ascorbic acid peroxidase inhibitor
has_related_synonym: ascorbic acid peroxidase inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
definition: Any hydrolase inhibitor that interferes with the action of a hydrolase which acts on acid anhydrides (EC 3.6.*.*).
id: CHEBI:73216
has_alternative_id: CHEBI:76765
has_related_synonym: EC 3.6 inhibitor
has_related_synonym: EC 3.6 inhibitors
has_related_synonym: EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors
has_related_synonym: EC 3.6.* inhibitor
has_related_synonym: EC 3.6.* inhibitors
has_related_synonym: EC 3.6.*.* inhibitor
has_related_synonym: EC 3.6.*.* inhibitors
has_related_synonym: acid anhydride hydrolase inhibitor
has_related_synonym: acid anhydride hydrolase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of hydrolase acting on acid anhydride (EC 3.6.*)
has_related_synonym: inhibitors of hydrolase acting on acid anhydride (EC 3.6.*)
imported from: chebi.owl

NF-kappaB inhibitor
type: Class
subclass of: inhibitor
definition: An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
id: CHEBI:73240
has_related_synonym: NF-kappaB inhibitors
database_cross_reference: Wikipedia:NF-%CE%BAB
has_obo_namespace: chebi_ontology
has_related_synonym: nuclear factor kappa-light-chain-enhancer of activated B cells inhibitor
has_related_synonym: nuclear factor kappa-light-chain-enhancer of activated B cells inhibitors
imported from: chebi.owl

alpha-CH2-containing aldehyde
type: Class
subclass of: aldehyde
has_related_synonym: 43.04460
definition: An aldehyde of general formula R-CH2-CH=O in which the aldehydic C=O function is attached to a CH2 group at the alpha-position.
has_related_synonym: C2H3OR
id: CHEBI:73359
has_alternative_id: CHEBI:77661
has_related_synonym: [*]CC=O
has_related_synonym: a 2,3-saturated aldehyde
has_related_synonym: alpha-CH2-containing aldehydes
has_related_synonym: alpha-methylene aldehyde
has_related_synonym: alpha-methylene aldehydes
has_obo_namespace: chebi_ontology
imported from: chebi.owl

indole skeleton
type: Class
subclass of: organic heterobicyclic ring
has_related_synonym: 110.09230
definition: A mancude heterobicyclic organic group consisting of a benzene ring fused to a pyrrole ring.
has_related_synonym: C8N
id: CHEBI:73398
has_obo_namespace: chebi_ontology
imported from: chebi.owl

organic heterobicyclic ring
type: Class
subclass of: cyclic organic group
definition: A bicyclic organic group that contains both carbon and hetero atoms.
id: CHEBI:73541
has_obo_namespace: chebi_ontology
has_related_synonym: organic heterobicyclic rings
imported from: chebi.owl

alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose
type: Class
subclass of: disaccharide
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose
has_related_synonym: 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose
has_related_synonym: 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
has_related_synonym: 326.29710
has_related_synonym: 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose
definition: A disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond.
has_related_synonym: C12H22O10
database_cross_reference: CAS:17074-02-1
id: CHEBI:73992
database_cross_reference: HMDB:HMDB29523
has_related_synonym: InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1
database_cross_reference: KEGG:C08244
database_cross_reference: KNApSAcK:C00001143
has_related_synonym: Neohesperidose
database_cross_reference: PMID:22484948
database_cross_reference: PMID:23221119
database_cross_reference: Reaxys:1290802
has_related_synonym: VSRVRBXGIRFARR-OUEGHFHCSA-N
database_cross_reference: Wikipedia:Neohesperidose
has_related_synonym: alpha-L-Rhap-(1->2)-beta-D-Glcp
has_obo_namespace: chebi_ontology
imported from: chebi.owl

genistein(1-)
type: Class
subclass of: organic anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: genistein
has_related_synonym: 269.22900
has_exact_synonym: 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate
definition: An organic anion that is the conjugate base of genistein, obtained by selective deprotonation of the 7-hydroxy group.
has_related_synonym: C15H9O5
id: CHEBI:74224
has_related_synonym: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/p-1
database_cross_reference: MetaCyc:CPD-3141
has_related_synonym: Oc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O
has_related_synonym: TZBJGXHYKVUXJN-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: genistein
imported from: chebi.owl

anti-obesity agent
type: Class
subclass of: pharmacological role
definition: Any substance which is used to reduce or control weight.
id: CHEBI:74518
database_cross_reference: Wikipedia:Anti-obesity
has_related_synonym: anti-obesity agents
has_related_synonym: anti-obestic agent
has_related_synonym: anti-obestic agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

astringent
type: Class
subclass of: drug
definition: A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
id: CHEBI:74783
database_cross_reference: Wikipedia:Astringent
has_related_synonym: adstringent
has_related_synonym: adstringents
has_related_synonym: astringents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

homoeriodictyol
type: Class
subclass of: monomethoxyflavanone
subclass of: trihydroxyflavanone
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: flavouring agent
subclass of: Restriction
  on property: has functional parent
  some values from: eriodictyol
has_related_synonym: (-)-Homoeriodictyol
has_exact_synonym: (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
has_related_synonym: (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone
has_related_synonym: 302.27880
has_related_synonym: 5,7,4'-Trihydroxy-3'-methoxyflavanone
definition: A trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7.
has_related_synonym: C16H14O6
database_cross_reference: CAS:446-71-9
has_alternative_id: CHEBI:5753
id: CHEBI:74960
has_related_synonym: Eriodictyol 3'-methyl ether
has_related_synonym: Eriodictyonone
has_related_synonym: FTODBIPDTXRIGS-ZDUSSCGKSA-N
has_related_synonym: InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
database_cross_reference: KEGG:C09756
database_cross_reference: KNApSAcK:C00000969
database_cross_reference: LIPID_MAPS_instance:LMPK12140449
database_cross_reference: MetaCyc:CPD-7071
database_cross_reference: PMID:21384439
database_cross_reference: PMID:22150672
database_cross_reference: PMID:23906843
database_cross_reference: Reaxys:1294930
database_cross_reference: Wikipedia:Homoeriodictyol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

morin
type: Class
subclass of: pentahydroxyflavone
subclass of: 7-hydroxyflavonol
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: EC 5.99.1.2 (DNA topoisomerase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: angiogenesis modulating agent
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: hepatoprotective agent
subclass of: Restriction
  on property: has role
  some values from: neuroprotective agent
subclass of: Restriction
  on property: has role
  some values from: antihypertensive agent
has_related_synonym: 2',3,4',5,7-Pentahydroxyflavone
has_related_synonym: 2',4',3,5,7-Pentahydroxyflavone
has_related_synonym: 2',4',5,7-Tetrahydroxyflavan-3-ol
has_related_synonym: 2',4',5,7-Tetrahydroxyflavonol
has_related_synonym: 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
has_exact_synonym: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
has_related_synonym: 3,5,7,2',4'-Pentahydroxyflavone
has_related_synonym: 302.23570
definition: A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.
has_related_synonym: C.I.Natural Yellow 8
has_related_synonym: C15H10O7
database_cross_reference: CAS:480-16-0
has_alternative_id: CHEBI:6998
id: CHEBI:75092
database_cross_reference: HMDB:HMDB30796
has_related_synonym: InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
database_cross_reference: KEGG:C10105
database_cross_reference: KNApSAcK:C00004624
database_cross_reference: LINCS:LSM-36988
database_cross_reference: LIPID_MAPS_instance:LMPK12112517
has_related_synonym: Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
database_cross_reference: PMID:15516722
database_cross_reference: PMID:16806951
database_cross_reference: PMID:18629640
database_cross_reference: PMID:19539802
database_cross_reference: PMID:19774509
database_cross_reference: PMID:22740350
database_cross_reference: PMID:23030699
database_cross_reference: PMID:23254912
database_cross_reference: PMID:23279849
database_cross_reference: PMID:23352912
database_cross_reference: PMID:23384060
database_cross_reference: PMID:23432089
database_cross_reference: PMID:23590821
database_cross_reference: PMID:23757948
database_cross_reference: PMID:23952478
database_cross_reference: Reaxys:327474
database_cross_reference: Wikipedia:Morin_(flavonol)
has_related_synonym: YXOLAZRVSSWPPT-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

nerolidol
type: Class
subclass of: farnesane sesquiterpenoid
has_related_synonym: C15H26O
database_cross_reference: CAS:7212-44-4
id: CHEBI:7524
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.11.1.* (peroxidases) inhibitor
type: Class
subclass of: EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor
definition: An EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor that interferes with the action of any of the peroxidases (EC 1.11.1.*).
id: CHEBI:75381
has_related_synonym: EC 1.11.1 inhibitor
has_related_synonym: EC 1.11.1 inhibitors
has_related_synonym: EC 1.11.1.* (peroxidase) inhibitor
has_related_synonym: EC 1.11.1.* (peroxidase) inhibitors
has_related_synonym: EC 1.11.1.* (peroxidases) inhibitors
has_related_synonym: EC 1.11.1.* inhibitor
has_related_synonym: EC 1.11.1.* inhibitors
database_cross_reference: Wikipedia:Peroxidases
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of peroxidases
has_related_synonym: inhibitors of peroxidases
has_related_synonym: peroxidases inhibitors
imported from: chebi.owl

EC 5.* (isomerase) inhibitor
type: Class
subclass of: enzyme inhibitor
definition: An enzyme inhibitor that inhibits the action of an isomerase (EC 5.*.*.*).
id: CHEBI:75596
has_related_synonym: EC 5.* (isomerase) inhibitors
has_related_synonym: EC 5.* inhibitor
has_related_synonym: EC 5.* inhibitors
has_related_synonym: EC 5.*.*.* inhibitor
has_related_synonym: EC 5.*.*.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: isomerase (EC 5.*) inhibitor
has_related_synonym: isomerase (EC 5.*) inhibitors
has_related_synonym: isomerase inhibitor
has_related_synonym: isomerase inhibitors
imported from: chebi.owl

EC 6.* (ligase) inhibitor
type: Class
subclass of: enzyme inhibitor
definition: Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate.
id: CHEBI:75603
has_related_synonym: EC 6.* (ligase) inhibitors
has_related_synonym: EC 6.* inhibitor
has_related_synonym: EC 6.* inhibitors
has_related_synonym: EC 6.*.*.* inhibitor
has_related_synonym: EC 6.*.*.* inhibitors
database_cross_reference: Wikipedia:Ligase
has_obo_namespace: chebi_ontology
has_related_synonym: ligase inhibitor
has_related_synonym: ligase inhibitors
imported from: chebi.owl

EC 6.4.* (C-C bond-forming ligase) inhibitor
type: Class
subclass of: EC 6.* (ligase) inhibitor
definition: A ligase inhibitor that interferes with the action of a C-C bond-forming ligase (EC 6.4.*.*).
has_related_synonym: C--C bond-forming ligase inhibitor
has_related_synonym: C--C bond-forming ligase inhibitors
has_related_synonym: C-C bond-forming ligase (EC 6.4.*) inhibitor
has_related_synonym: C-C bond-forming ligase (EC 6.4.*) inhibitorS
has_related_synonym: C-C bond-forming ligase inhibitor
has_related_synonym: C-C bond-forming ligase inhibitors
id: CHEBI:75604
has_related_synonym: EC 6.4.* (C-C bond-forming ligase) inhibitorS
has_related_synonym: EC 6.4.* inhibitor
has_related_synonym: EC 6.4.* inhibitors
has_related_synonym: EC 6.4.*.* inhibitor
has_related_synonym: EC 6.4.*.* inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

procyanidin B3
type: Class
subclass of: proanthocyanidin
subclass of: biflavonoid
subclass of: hydroxyflavan
subclass of: Restriction
  on property: has role
  some values from: EC 2.3.1.48 (histone acetyltransferase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: (+)-catechin
has_exact_synonym: (2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol
has_related_synonym: 578.52020
definition: A proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 8' in alpha-configuration. It can be found in red wine, in barley, in beer, in peach or in Jatropha macrantha, the Huanarpo Macho.
has_related_synonym: C-(4a,8)-C
has_related_synonym: C30H26O12
database_cross_reference: CAS:23567-23-9
id: CHEBI:75630
has_related_synonym: Catechin(4a->8)catechin
has_related_synonym: Catechin-(4alpha->8)-catechin
database_cross_reference: HMDB:HMDB33974
has_related_synonym: InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1
database_cross_reference: KEGG:C10209
database_cross_reference: LIPID_MAPS_instance:LMPK12030003
database_cross_reference: PMID:20131846
database_cross_reference: PMID:20568787
database_cross_reference: PMID:20955177
database_cross_reference: PMID:21950419
database_cross_reference: PMID:22629448
database_cross_reference: PMID:22744145
database_cross_reference: PMID:22747497
database_cross_reference: PMID:22783976
database_cross_reference: PMID:22868163
database_cross_reference: PMID:23131027
database_cross_reference: PMID:23411286
database_cross_reference: PMID:23829187
database_cross_reference: PMID:23971434
database_cross_reference: Patent:KR20100129858
database_cross_reference: Patent:WO2010021935
has_related_synonym: Proanthocyanidin B3
database_cross_reference: Reaxys:3586582
database_cross_reference: Wikipedia:Procyanidin_B3
has_related_synonym: XFZJEEAOWLFHDH-AVFWISQGSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

procyanidin B2
type: Class
subclass of: proanthocyanidin
subclass of: biflavonoid
subclass of: hydroxyflavan
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has functional parent
  some values from: (-)-epicatechin
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol
has_related_synonym: 578.52020
definition: A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine.
has_related_synonym: C30H26O12
database_cross_reference: CAS:29106-49-8
id: CHEBI:75632
has_related_synonym: EC-(4b,8)-EC
has_related_synonym: Epicathechin-(4beta->8)-epicathechin
database_cross_reference: HMDB:HMDB33973
has_related_synonym: InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
database_cross_reference: KEGG:C17639
database_cross_reference: LIPID_MAPS_instance:LMPK12030002
database_cross_reference: PMID:22042007
database_cross_reference: PMID:23250807
database_cross_reference: PMID:23285083
database_cross_reference: PMID:23360097
database_cross_reference: PMID:23460126
database_cross_reference: PMID:23472464
database_cross_reference: PMID:23474305
database_cross_reference: PMID:23811048
database_cross_reference: PMID:23922881
database_cross_reference: PMID:23985492
database_cross_reference: PMID:24136906
has_related_synonym: Proanthocyanidin B2
has_related_synonym: Procyanidol B2
database_cross_reference: Reaxys:1279736
database_cross_reference: Wikipedia:Procyanidin_B2
has_related_synonym: XFZJEEAOWLFHDH-NFJBMHMQSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

eukaryotic metabolite
type: Class
subclass of: metabolite
definition: Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms.
id: CHEBI:75763
has_obo_namespace: chebi_ontology
has_related_synonym: eukaryotic metabolites
imported from: chebi.owl

animal metabolite
type: Class
subclass of: eukaryotic metabolite
definition: Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
id: CHEBI:75767
has_alternative_id: CHEBI:77721
has_alternative_id: CHEBI:77743
has_related_synonym: animal metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

mammalian metabolite
type: Class
subclass of: animal metabolite
definition: Any animal metabolite produced during a metabolic reaction in mammals.
id: CHEBI:75768
has_alternative_id: CHEBI:77464
has_alternative_id: CHEBI:77744
has_obo_namespace: chebi_ontology
has_related_synonym: mammalian metabolites
imported from: chebi.owl

B vitamin
type: Class
subclass of: water-soluble vitamin
subclass of: nutraceutical
definition: Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)
has_related_synonym: B vitamins
has_related_synonym: B-group vitamin
has_related_synonym: B-group vitamins
id: CHEBI:75769
database_cross_reference: PMID:22743781
database_cross_reference: PMID:23093174
database_cross_reference: PMID:23238962
database_cross_reference: PMID:23449527
database_cross_reference: PMID:23462586
database_cross_reference: PMID:23690582
database_cross_reference: Wikipedia:B_vitamin
has_obo_namespace: chebi_ontology
has_related_synonym: vitamin B
imported from: chebi.owl

mouse metabolite
type: Class
subclass of: mammalian metabolite
definition: Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
id: CHEBI:75771
has_related_synonym: Mus musculus metabolite
has_related_synonym: Mus musculus metabolites
has_obo_namespace: chebi_ontology
has_related_synonym: mouse metabolites
imported from: chebi.owl

Saccharomyces cerevisiae metabolite
type: Class
subclass of: fungal metabolite
definition: Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
id: CHEBI:75772
has_alternative_id: CHEBI:76949
has_alternative_id: CHEBI:76951
has_related_synonym: S. cerevisiae metabolite
has_related_synonym: S. cerevisiae metabolites
has_related_synonym: S. cerevisiae secondary metabolite
has_related_synonym: S. cerevisiae secondary metabolites
has_related_synonym: Saccharomyces cerevisiae metabolites
has_related_synonym: Saccharomyces cerevisiae secondary metabolites
has_related_synonym: baker's yeast metabolite
has_related_synonym: baker's yeast metabolites
has_related_synonym: baker's yeast secondary metabolite
has_related_synonym: baker's yeast secondary metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

prokaryotic metabolite
type: Class
subclass of: metabolite
definition: Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea.
id: CHEBI:75787
has_obo_namespace: chebi_ontology
has_related_synonym: prokaryotic metabolites
imported from: chebi.owl

nobiletin
type: Class
subclass of: methoxyflavone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has functional parent
  some values from: flavone
has_exact_synonym: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
has_related_synonym: 402.39460
has_related_synonym: 5,6,7,8,3',4'-Hexamethoxyflavone
definition: A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.
has_related_synonym: C21H22O8
database_cross_reference: CAS:478-01-3
id: CHEBI:7602
has_related_synonym: COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
database_cross_reference: HMDB:HMDB29540
has_related_synonym: Hexamethoxyflavone
has_related_synonym: InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
database_cross_reference: KEGG:C10112
database_cross_reference: KNApSAcK:C00001076
database_cross_reference: LINCS:LSM-2130
database_cross_reference: LIPID_MAPS_instance:LMPK12111468
has_related_synonym: MRIAQLRQZPPODS-UHFFFAOYSA-N
database_cross_reference: PMID:25488359
database_cross_reference: PMID:25845666
database_cross_reference: Reaxys:360887
database_cross_reference: Wikipedia:Nobiletin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

lacceroate
type: Class
subclass of: very long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: lacceroic acid
subclass of: Restriction
  on property: has functional parent
  some values from: 3-oxolacceroyl-CoA(4-)
has_related_synonym: 479.84140
definition: A very long-chain fatty acid anion that is the conjugate base of lacceroic acid, obtained by deprotonation of the carboxy group.
has_related_synonym: C32H63O2
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
id: CHEBI:76024
has_related_synonym: ICAIHSUWWZJGHD-UHFFFAOYSA-M
database_cross_reference: MetaCyc:CPD-8463
has_obo_namespace: chebi_ontology
has_related_synonym: dotriacontanoate
has_exact_synonym: dotriacontanoate
has_related_synonym: dotriacontanoate(1-)
has_related_synonym: lacceroate(1-)
imported from: chebi.owl

aromatic amino-acid zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: aromatic amino acid
definition: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid.
has_related_synonym: C2H4NO2R
id: CHEBI:76042
database_cross_reference: MetaCyc:Aromatic-Amino-Acids
has_related_synonym: [NH3+]C([*])C([O-])=O
has_related_synonym: an aromatic amino-acid
has_related_synonym: aromatic amino-acid zwitterions
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(+)-epicatechin
type: Class
subclass of: catechin
subclass of: polyphenol
subclass of: Restriction
  on property: has role
  some values from: cyclooxygenase 1 inhibitor
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (-)-epicatechin
has_exact_synonym: (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol
has_related_synonym: (2S,3S)-3,3',4',5,7-pentahydroxyflavan
has_related_synonym: 290.26810
definition: A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).
has_related_synonym: C15H14O6
database_cross_reference: CAS:35323-91-2
id: CHEBI:76125
has_related_synonym: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
database_cross_reference: KEGG:C09728
database_cross_reference: KNApSAcK:C00000957
has_related_synonym: PFTAWBLQPZVEMU-ZFWWWQNUSA-N
database_cross_reference: PMID:15568761
database_cross_reference: Reaxys:3655328
has_obo_namespace: chebi_ontology
has_related_synonym: ent-Epicatechin
imported from: chebi.owl

xenobiotic metabolite
type: Class
subclass of: metabolite
definition: Any metabolite produced by metabolism of a xenobiotic compound.
id: CHEBI:76206
has_obo_namespace: chebi_ontology
has_related_synonym: xenobiotic metabolites
imported from: chebi.owl

lacceroic acid
type: Class
subclass of: very long-chain fatty acid
subclass of: straight-chain saturated fatty acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: lacceroate
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 480.84940
definition: A straight-chain saturated fatty acid that is dotriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid.
has_related_synonym: C32:0
has_related_synonym: C32H64O2
database_cross_reference: CAS:3625-52-3
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
id: CHEBI:76215
has_related_synonym: ICAIHSUWWZJGHD-UHFFFAOYSA-N
database_cross_reference: LIPID_MAPS_instance:LMFA01010032
has_related_synonym: Lacceric acid
database_cross_reference: MetaCyc:CPD-8463
database_cross_reference: Reaxys:1715878
database_cross_reference: Wikipedia:Lacceroic_acid
has_obo_namespace: chebi_ontology
has_exact_synonym: dotriacontanoic acid
imported from: chebi.owl

EC 2.3.1.48 (histone acetyltransferase) inhibitor
type: Class
subclass of: EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor
definition: An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the function of histone acetyltransferase (EC 2.3.1.48).
id: CHEBI:76395
has_related_synonym: EC 2.3.1.48 (histone acetyltransferase) inhibitors
has_related_synonym: EC 2.3.1.48 inhibitor
has_related_synonym: EC 2.3.1.48 inhibitors
has_related_synonym: HAT inhibitor
has_related_synonym: HAT inhibitors
database_cross_reference: Wikipedia:Histone_acetyltransferase
has_related_synonym: acetyl-CoA:histone acetyltransferase inhibitor
has_related_synonym: acetyl-CoA:histone acetyltransferase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: histone acetokinase inhibitor
has_related_synonym: histone acetokinase inhibitors
has_related_synonym: histone acetylase inhibitor
has_related_synonym: histone acetylase inhibitors
has_related_synonym: histone acetyltransferase (EC 2.3.1.48) inhibitor
has_related_synonym: histone acetyltransferase (EC 2.3.1.48) inhibitors
has_related_synonym: histone acetyltransferase inhibitor
has_related_synonym: histone acetyltransferase inhibitors
has_related_synonym: histone transacetylase inhibitor
has_related_synonym: histone transacetylase inhibitors
has_related_synonym: nucleosome-histone acetyltransferase inhibitor
has_related_synonym: nucleosome-histone acetyltransferase inhibitors
imported from: chebi.owl

propellant
type: Class
subclass of: application
definition: A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans.
id: CHEBI:76414
database_cross_reference: PMID:22519407
database_cross_reference: PMID:24001847
has_obo_namespace: chebi_ontology
has_related_synonym: propellants
imported from: chebi.owl

quercetin O-glycoside
type: Class
subclass of: glycosyloxyflavone
subclass of: Restriction
  on property: has functional parent
  some values from: quercetin
definition: Any glycosyloxyflavone that is an O-glycosylated derivative of quercetin.
id: CHEBI:76424
has_obo_namespace: chebi_ontology
has_related_synonym: quercetin O-glycosides
imported from: chebi.owl

polyunsaturated fatty acid anion
type: Class
subclass of: unsaturated fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: polyunsaturated fatty acid
definition: Any unsaturated fatty acid anion containing more than one C-C unsaturated bond. Major species at pH 7.3.
id: CHEBI:76567
has_related_synonym: PUFA
has_obo_namespace: chebi_ontology
has_related_synonym: polyunsaturated fatty acid anions
imported from: chebi.owl

EC 2.1.* (C1-transferase) inhibitor
type: Class
subclass of: EC 2.* (transferase) inhibitor
definition: A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*).
has_related_synonym: C1-transferase (EC 2.1.*) inhibitor
has_related_synonym: C1-transferase (EC 2.1.*) inhibitors
has_related_synonym: C1-transferase inhibitor
has_related_synonym: C1-transferase inhibitors
id: CHEBI:76655
has_related_synonym: EC 2.1.* (C1-transferase) inhibitors
has_related_synonym: EC 2.1.* inhibitor
has_related_synonym: EC 2.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: one-carbon-containing group transferase inhibitor
has_related_synonym: one-carbon-containing group transferase inhibitors
imported from: chebi.owl

EC 2.3.* (acyltransferase) inhibitor
type: Class
subclass of: EC 2.* (transferase) inhibitor
definition: A transferase inhibitor that interferes with the action of an acyltransferase (EC 2.3.*.*).
id: CHEBI:76661
has_related_synonym: EC 2.3.* (acyltransferase) inhibitors
has_related_synonym: EC 2.3.* inhibitor
has_related_synonym: EC 2.3.* inhibitors
has_related_synonym: acyltransferase inhibitor
has_related_synonym: acyltransferase inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor
type: Class
subclass of: EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor
definition: A transferase inhibitor that inhibits the transfer of an alkyl (other than methyl) or aryl group (EC 2.5.1.*).
id: CHEBI:76663
has_related_synonym: EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors
has_related_synonym: EC 2.5.1.* inhibitor
has_related_synonym: EC 2.5.1.* inhibitors
has_related_synonym: alkyl/aryl (non-methyl) transferase inhibitor
has_related_synonym: alkyl/aryl (non-methyl) transferase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor
has_related_synonym: non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors
has_related_synonym: non-methyl alkyl/aryl transferase inhibitor
has_related_synonym: non-methyl alkyl/aryl transferase inhibitors
has_related_synonym: non-methyl-alkyl or aryl transferase inhibitor
has_related_synonym: non-methyl-alkyl or aryl transferase inhibitors
imported from: chebi.owl

EC 2.7.* (P-containing group transferase) inhibitor
type: Class
subclass of: EC 2.* (transferase) inhibitor
definition: A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*).
id: CHEBI:76668
has_related_synonym: EC 2.7.* (P-containing group transferase) inhibitors
has_related_synonym: EC 2.7.* (phosphorus-containing group transferase) inhibitor
has_related_synonym: EC 2.7.* (phosphorus-containing group transferase) inhibitors
has_related_synonym: EC 2.7.* inhibitor
has_related_synonym: EC 2.7.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: phosphorus-containing group transferase (EC 2.7.*) inhibitor
has_related_synonym: phosphorus-containing group transferase (EC 2.7.*) inhibitors
has_related_synonym: phosphorus-containing group transferase inhibitor
has_related_synonym: phosphorus-containing group transferase inhibitors
imported from: chebi.owl

EC 5.99.* (other isomerases) inhibitor
type: Class
subclass of: EC 5.* (isomerase) inhibitor
definition: An isomerase inhibitor that interferes with the action of any member of the group of 'other isomerases' (EC 5.99.*.*).
id: CHEBI:76697
has_related_synonym: EC 5.99.* (miscellaneous isomerases) inhibitor
has_related_synonym: EC 5.99.* (miscellaneous isomerases) inhibitors
has_related_synonym: EC 5.99.* (other isomerase) inhibitor
has_related_synonym: EC 5.99.* (other isomerase) inhibitors
has_related_synonym: EC 5.99.* (other isomerases) inhibitors
has_related_synonym: EC 5.99.* inhibitor
has_related_synonym: EC 5.99.* inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.* (oxidoreductase) inhibitor
type: Class
subclass of: enzyme inhibitor
definition: An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*).
id: CHEBI:76725
has_related_synonym: EC 1.* (oxidoreductase) inhibitors
has_related_synonym: EC 1.* inhibitor
has_related_synonym: EC 1.* inhibitors
database_cross_reference: Wikipedia:Oxidoreductase
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase (EC 1.*) inhibitor
has_related_synonym: oxidoreductase (EC 1.*) inhibitors
has_related_synonym: oxidoreductase inhibitor
has_related_synonym: oxidoreductase inhibitors
imported from: chebi.owl

EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
definition: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-OH group of donors (EC 1.1.*.*).
id: CHEBI:76726
has_related_synonym: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors
has_related_synonym: EC 1.1.* inhibitor
has_related_synonym: EC 1.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of oxidoreductase acting on CH-OH group of donor
has_related_synonym: inhibitor of oxidoreductase acting on CH-OH group of donors
has_related_synonym: inhibitors of oxidoreductase acting on CH-OH group of donor
has_related_synonym: inhibitors of oxidoreductase acting on CH-OH group of donors
has_related_synonym: oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor
has_related_synonym: oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors
has_related_synonym: oxidoreductase acting on donor CH-OH group inhibitor
has_related_synonym: oxidoreductase acting on donor CH-OH group inhibitors
imported from: chebi.owl

EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
definition: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH2 group of donors (EC 1.4.*.*).
id: CHEBI:76730
has_exact_synonym: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor
has_related_synonym: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors
has_related_synonym: EC 1.4.* inhibitor
has_related_synonym: EC 1.4.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of oxidoreductase acting on CH-NH2 group of donor
has_related_synonym: inhibitor of oxidoreductase acting on CH-NH2 group of donors
has_related_synonym: inhibitors of oxidoreductase acting on CH-NH2 group of donor
has_related_synonym: inhibitors of oxidoreductase acting on CH-NH2 group of donors
has_related_synonym: oxidoreductase acting on CH-NH2 group of donor inhibitor
has_related_synonym: oxidoreductase acting on CH-NH2 group of donor inhibitors
has_related_synonym: oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor
has_related_synonym: oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors
imported from: chebi.owl

EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
definition: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on diphenols and related substances as donors (EC 1.10.*.*).
id: CHEBI:76737
has_related_synonym: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors
has_related_synonym: EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor
has_related_synonym: EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors
has_related_synonym: EC 1.10.* inhibitor
has_related_synonym: EC 1.10.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of an oxidoreductase acting on diphenols and related substances as donor
has_related_synonym: inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*)
has_related_synonym: inhibitor of an oxidoreductase acting on diphenols and related substances as donors
has_related_synonym: inhibitors of an oxidoreductase acting on diphenols and related substances as donor
has_related_synonym: inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*)
has_related_synonym: inhibitors of an oxidoreductase acting on diphenols and related substances as donors
imported from: chebi.owl

EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
definition: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on peroxide as donors (EC 1.11.*.*).
id: CHEBI:76738
has_related_synonym: EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitors
has_related_synonym: EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitor
has_related_synonym: EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitors
has_related_synonym: EC 1.11.* inhibitor
has_related_synonym: EC 1.11.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitor
has_related_synonym: oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitors
has_related_synonym: oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitor
has_related_synonym: oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitors
imported from: chebi.owl

EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
definition: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases), EC 1.13.*.*.
id: CHEBI:76740
has_related_synonym: EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitors
has_related_synonym: EC 1.13.* inhibitor
has_related_synonym: EC 1.13.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitor
has_related_synonym: oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitors
has_related_synonym: oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitor
has_related_synonym: oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitors
imported from: chebi.owl

EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
definition: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on hydrogen as donors (EC 1.14.*.*).
id: CHEBI:76741
has_related_synonym: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors
has_related_synonym: EC 1.14.* inhibitor
has_related_synonym: EC 1.14.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)
has_related_synonym: inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)
has_related_synonym: inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)
has_related_synonym: inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)
has_related_synonym: oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor
has_related_synonym: oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors
has_related_synonym: oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor
has_related_synonym: oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors
imported from: chebi.owl

EC 3.* (hydrolase) inhibitor
type: Class
subclass of: enzyme inhibitor
definition: Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*).
id: CHEBI:76759
has_related_synonym: EC 3.* (hydrolase) inhibitors
has_related_synonym: EC 3.* inhibitor
has_related_synonym: EC 3.* inhibitors
has_related_synonym: EC 3.*.*.* inhibitor
has_related_synonym: EC 3.*.*.* inhibitors
database_cross_reference: Wikipedia:Hydrolase
has_obo_namespace: chebi_ontology
has_related_synonym: hydrolase (EC 3.*) inhibitor
has_related_synonym: hydrolase (EC 3.*) inhibitors
has_related_synonym: hydrolase inhibitor
has_related_synonym: hydrolase inhibitors
imported from: chebi.owl

EC 3.1.* (ester hydrolase) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
definition: A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*).
id: CHEBI:76760
has_related_synonym: EC 3.1.* (ester hydrolase) inhibitors
has_related_synonym: EC 3.1.* inhibitor
has_related_synonym: EC 3.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: ester hydrolase (EC 3.1.*) inhibitor
has_related_synonym: ester hydrolase (EC 3.1.*) inhibitors
has_related_synonym: ester hydrolase inhibitor
has_related_synonym: ester hydrolase inhibitors
imported from: chebi.owl

EC 3.2.* (glycosylase) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
definition: A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*).
id: CHEBI:76761
has_related_synonym: EC 3.2.* (glycosylase) inhibitors
has_related_synonym: EC 3.2.* inhibitor
has_related_synonym: EC 3.2.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: glycosylase (EC 3.2.*) inhibitor
has_related_synonym: glycosylase (EC 3.2.*) inhibitors
has_related_synonym: glycosylase inhibitor
has_related_synonym: glycosylase inhibitors
imported from: chebi.owl

EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
definition: Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*).
id: CHEBI:76764
has_related_synonym: EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor
has_related_synonym: EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors
has_related_synonym: EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor
has_related_synonym: EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors
has_related_synonym: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors
has_related_synonym: EC 3.5.* inhibitor
has_related_synonym: EC 3.5.* inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
type: Class
subclass of: EC 3.1.* (ester hydrolase) inhibitor
definition: An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*).
id: CHEBI:76773
has_related_synonym: EC 3.1.1.* (carboxylic ester hydrolase) inhibitors
has_related_synonym: EC 3.1.1.* inhibitor
has_related_synonym: EC 3.1.1.* inhibitors
has_related_synonym: carboxylic ester hydrolase (EC 3.1.1.*) inhibitor
has_related_synonym: carboxylic ester hydrolase (EC 3.1.1.*) inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitor
type: Class
subclass of: EC 3.1.* (ester hydrolase) inhibitor
definition: An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any endoribonuclease producing 5'-phosphomonoesters (EC 3.1.26.*).
id: CHEBI:76785
has_related_synonym: EC 3.1.26.* (endoribonucleases producing 5'-phosphomonoesters) inhibitors
has_related_synonym: EC 3.1.26.* inhibitor
has_related_synonym: EC 3.1.26.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: endoribonuclease producing 5'-phosphomonoesters (EC 3.1.26.*) inhibitor
has_related_synonym: endoribonuclease producing 5'-phosphomonoesters (EC 3.1.26.*) inhibitors
has_related_synonym: endoribonuclease producing 5'-phosphomonoesters inhibitor
has_related_synonym: endoribonuclease producing 5'-phosphomonoesters inhibitors
imported from: chebi.owl

EC 2.5.1.18 (glutathione transferase) inhibitor
type: Class
subclass of: EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor
definition: An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18).
id: CHEBI:76797
has_related_synonym: EC 2.5.1.18 (glutathione transferase) inhibitors
has_related_synonym: EC 2.5.1.18 inhibitor
has_related_synonym: EC 2.5.1.18 inhibitors
has_related_synonym: RX:glutathione R-transferase inhibitor
has_related_synonym: RX:glutathione R-transferase inhibitors
has_related_synonym: S-(hydroxyalkyl)glutathione lyase inhibitor
has_related_synonym: S-(hydroxyalkyl)glutathione lyase inhibitors
database_cross_reference: Wikipedia:Glutathione_S-transferase
has_obo_namespace: chebi_ontology
has_related_synonym: glutathione S-alkyl transferase inhibitor
has_related_synonym: glutathione S-alkyl transferase inhibitors
has_related_synonym: glutathione S-alkyltransferase inhibitor
has_related_synonym: glutathione S-alkyltransferase inhibitors
has_related_synonym: glutathione S-aralkyltransferase inhibitor
has_related_synonym: glutathione S-aralkyltransferase inhibitors
has_related_synonym: glutathione S-aryltransferase inhibitor
has_related_synonym: glutathione S-aryltransferase inhibitors
has_related_synonym: glutathione S-transferase inhibitor
has_related_synonym: glutathione S-transferase inhibitors
has_related_synonym: glutathione transferase (EC 2.5.1.18) inhibitor
has_related_synonym: glutathione transferase (EC 2.5.1.18) inhibitors
has_related_synonym: glutathione transferase inhibitor
has_related_synonym: glutathione transferase inhibitors
imported from: chebi.owl

EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
type: Class
subclass of: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor
definition: An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*).
id: CHEBI:76807
has_related_synonym: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors
has_related_synonym: EC 3.5.1.* inhibitor
has_related_synonym: EC 3.5.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor
has_related_synonym: non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors
imported from: chebi.owl

EC 2.7.7.* (nucleotidyltransferase) inhibitor
type: Class
subclass of: EC 2.7.* (P-containing group transferase) inhibitor
definition: An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*).
id: CHEBI:76815
has_related_synonym: EC 2.7.7.* (nucleotidyltransferase) inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of nucleotidyltransferases
has_related_synonym: inhibitor of nucleotidyltransferases (EC 2.7.7.*)
has_related_synonym: inhibitors of nucleotidyltransferases
has_related_synonym: inhibitors of nucleotidyltransferases (EC 2.7.7.*)
has_related_synonym: nucleotidyltransferase (EC 2.7.7.*) inhibitor
has_related_synonym: nucleotidyltransferase (EC 2.7.7.*) inhibitors
has_related_synonym: nucleotidyltransferase inhibitor
has_related_synonym: nucleotidyltransferase inhibitors
imported from: chebi.owl

EC 6.4.1.* (carboxylase) inhibitor
type: Class
subclass of: EC 6.4.* (C-C bond-forming ligase) inhibitor
definition: An EC 6.4.* (C-C bond-forming ligase) inhibitor that interferes with the action of a carboxylating enzyme (EC 6.4.1.*).
id: CHEBI:76824
has_related_synonym: EC 6.4.1.* (C-C bond forming ligase) inhibitor
has_related_synonym: EC 6.4.1.* (C-C bond forming ligase) inhibitors
has_related_synonym: EC 6.4.1.* (C-C bond-forming ligase) inhibitors
has_related_synonym: EC 6.4.1.* (carboxylase) inhibitors
has_related_synonym: EC 6.4.1.* inhibitor
has_related_synonym: EC 6.4.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: inhibitor of ligases forming C-C bonds
has_related_synonym: inhibitor of ligases forming C-C bonds (EC 6.4.1.*)
has_related_synonym: inhibitors of ligases forming C-C bonds
has_related_synonym: inhibitors of ligases forming C-C bonds (EC 6.4.1.*)
imported from: chebi.owl

EC 5.99.1.* (miscellaneous isomerase) inhibitor
type: Class
subclass of: EC 5.99.* (other isomerases) inhibitor
definition: An EC 5.99.* (other isomerases) inhibitor that interferes with the activity of any enzyme in the EC 5.99.1.* class.
id: CHEBI:76830
has_related_synonym: EC 5.99.1.* (miscellaneous isomerase) inhibitors
has_related_synonym: EC 5.99.1.* inhibitor
has_related_synonym: EC 5.99.1.* inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor
type: Class
subclass of: EC 2.* (transferase) inhibitor
definition: An EC 2.5.* (transferase) inhibitor that inhibits the action of any transferase that transfers an alkyl (other than methyl) or aryl group (EC 2.5.*).
id: CHEBI:76834
has_related_synonym: EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors
has_related_synonym: EC 2.5.* inhibitor
has_related_synonym: EC 2.5.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor
has_related_synonym: non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors
imported from: chebi.owl

EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
type: Class
subclass of: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor
definition: An EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor that uses NAD(+) or NADP(+) as acceptor (EC 1.1.1.*).
id: CHEBI:76835
has_related_synonym: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors
has_related_synonym: EC 1.1.1.* inhibitor
has_related_synonym: EC 1.1.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor
has_related_synonym: oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors
imported from: chebi.owl

EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor
type: Class
subclass of: EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor
definition: An EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor that inhibits the action of any oxidoreductase incorporating 2 atoms of oxygen (EC 1.13.11.*).
id: CHEBI:76837
has_related_synonym: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitors
has_related_synonym: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor
has_related_synonym: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitors
has_related_synonym: EC 1.13.11.* inhibitor
has_related_synonym: EC 1.13.11.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitor
has_related_synonym: oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitors
imported from: chebi.owl

EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor
type: Class
subclass of: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
definition: An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using reduced flavin or flavoprotein as donor (EC 1.14.14.*).
id: CHEBI:76838
has_related_synonym: EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors
has_related_synonym: EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor
has_related_synonym: EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors
has_related_synonym: EC 1.14.14.* inhibitor
has_related_synonym: EC 1.14.14.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitor
has_related_synonym: oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitors
imported from: chebi.owl

EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
type: Class
subclass of: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
definition: An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any enzyme in the EC 1.14.99.* (miscellaneous) category.
id: CHEBI:76840
has_related_synonym: EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors
has_related_synonym: EC 1.14.99.* inhibitor
has_related_synonym: EC 1.14.99.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitor
has_related_synonym: miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitors
imported from: chebi.owl

EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor
type: Class
subclass of: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
definition: An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme using a miscellaneous compound as one donor and incorporating one atom of oxygen (EC 1.14.18.*).
id: CHEBI:76845
has_related_synonym: EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitors
has_related_synonym: EC 1.14.18.* inhibitor
has_related_synonym: EC 1.14.18.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitor
has_related_synonym: oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitors
imported from: chebi.owl

EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor
type: Class
subclass of: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor
definition: An EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.4.3.*).
id: CHEBI:76861
has_related_synonym: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors
has_related_synonym: EC 1.4.3.* inhibitor
has_related_synonym: EC 1.4.3.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor
has_related_synonym: oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors
imported from: chebi.owl

EC 2.1.1.* (methyltransferases) inhibitor
type: Class
subclass of: EC 2.1.* (C1-transferase) inhibitor
definition: An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any methyltransferase (EC 2.1.1.*).
id: CHEBI:76871
has_related_synonym: EC 2.1.1.* (methyltransferase) inhibitor
has_related_synonym: EC 2.1.1.* (methyltransferase) inhibitors
has_related_synonym: EC 2.1.1.* (methyltransferases) inhibitors
has_related_synonym: EC 2.1.1.* inhibitor
has_related_synonym: EC 2.1.1.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: methyltransferase (EC 2.1.1.*) inhibitor
has_related_synonym: methyltransferase (EC 2.1.1.*) inhibitors
imported from: chebi.owl

EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor
type: Class
subclass of: EC 2.1.* (C1-transferase) inhibitor
definition: An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*).
id: CHEBI:76874
has_related_synonym: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors
has_related_synonym: EC 2.1.2.* inhibitor
has_related_synonym: EC 2.1.2.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor
has_related_synonym: hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors
imported from: chebi.owl

EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor
type: Class
subclass of: EC 2.3.* (acyltransferase) inhibitor
definition: An EC 2.3.* (acyltransferase) inhibitor that inhibits the action of any acyltransferase transferring groups other than amino-acyl groups (EC 2.3.1.*).
id: CHEBI:76878
has_related_synonym: EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitors
has_related_synonym: EC 2.3.1.* inhibitor
has_related_synonym: EC 2.3.1.* inhibitors
has_related_synonym: acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitor
has_related_synonym: acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.14.14.1 (unspecific monooxygenase) inhibitor
type: Class
subclass of: EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor
definition: An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor that interferes with the action of an unspecified monooxygenase (EC 1.14.14.1).
id: CHEBI:76898
has_related_synonym: EC 1.14.14.1 (unspecific monooxygenase) inhibitors
has_related_synonym: EC 1.14.14.1 inhibitor
has_related_synonym: EC 1.14.14.1 inhibitors
has_related_synonym: aryl hydrocarbon hydroxylase inhibitor
has_related_synonym: aryl hydrocarbon hydroxylase inhibitors
has_related_synonym: aryl-4-monooxygenase inhibitor
has_related_synonym: aryl-4-monooxygenase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: flavoprotein monooxygenase inhibitor
has_related_synonym: flavoprotein monooxygenase inhibitors
has_related_synonym: flavoprotein-linked monooxygenase inhibitor
has_related_synonym: flavoprotein-linked monooxygenase inhibitors
has_related_synonym: microsomal P-450 inhibitor
has_related_synonym: microsomal P-450 inhibitors
has_related_synonym: microsomal monooxygenase inhibitor
has_related_synonym: microsomal monooxygenase inhibitors
has_related_synonym: substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitor
has_related_synonym: substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitors
has_related_synonym: unspecific monooxygenase (EC 1.14.14.1) inhibitor
has_related_synonym: unspecific monooxygenase (EC 1.14.14.1) inhibitors
has_related_synonym: unspecific monooxygenase inhibitor
has_related_synonym: unspecific monooxygenase inhibitors
has_related_synonym: xenobiotic monooxygenase inhibitor
has_related_synonym: xenobiotic monooxygenase inhibitors
imported from: chebi.owl

EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
type: Class
subclass of: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor
definition: An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the function of any such enzyme using 2-oxoglutarate as one donor and incorporating one atom each of oxygen into both donors (EC 1.14.11.*).
id: CHEBI:76902
has_related_synonym: EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitors
has_related_synonym: EC 1.14.11.* (oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors) inhibitor
has_related_synonym: EC 1.14.11.* (oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors) inhibitors
has_related_synonym: EC 1.14.11.* inhibitor
has_related_synonym: EC 1.14.11.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors (EC 1.14.11.*) inhibitor
has_related_synonym: oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors (EC 1.14.11.*) inhibitors
has_related_synonym: oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors (EC 1.14.11.*) inhibitor
has_related_synonym: oxidoreductase acting on paired donors, with 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors (EC 1.14.11.*) inhibitors
imported from: chebi.owl

plant metabolite
type: Class
subclass of: eukaryotic metabolite
definition: Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
has_alternative_id: CHEBI:75766
id: CHEBI:76924
has_alternative_id: CHEBI:76925
has_obo_namespace: chebi_ontology
has_related_synonym: plant metabolites
has_related_synonym: plant secondary metabolites
imported from: chebi.owl

pathway inhibitor
type: Class
subclass of: enzyme inhibitor
definition: An enzyme inhibitor that interferes with one or more steps in a metabolic pathway.
id: CHEBI:76932
has_obo_namespace: chebi_ontology
has_related_synonym: metabolic pathway inhibitor
has_related_synonym: metabolic pathway inhibitors
has_related_synonym: pathway inhibitors
imported from: chebi.owl

EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor
type: Class
subclass of: EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor
definition: An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme acting on ATP and involved in cellular and subcellular movement (EC 3.6.4.*).
id: CHEBI:76938
has_related_synonym: EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitor
has_related_synonym: EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitors
has_related_synonym: EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitors
has_related_synonym: EC 3.6.4.* inhibitor
has_related_synonym: EC 3.6.4.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitor
has_related_synonym: hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitors
imported from: chebi.owl

EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor
type: Class
subclass of: EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor
has_related_synonym: ATP phosphohydrolase (polypeptide-polymerising) inhibitor
has_related_synonym: ATP phosphohydrolase (polypeptide-polymerising) inhibitors
has_related_synonym: ATP phosphohydrolase (polypeptide-polymerizing) inhibitor
has_related_synonym: ATP phosphohydrolase (polypeptide-polymerizing) inhibitors
definition: An EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor that interferes with the action of a non-chaperonin molecular chaperone ATPase (EC 3.6.4.10).
id: CHEBI:76939
has_related_synonym: EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitors
has_related_synonym: EC 3.6.4.10 inhibitor
has_related_synonym: EC 3.6.4.10 inhibitors
database_cross_reference: Wikipedia:Non-chaperonin_molecular_chaperone_ATPase
has_obo_namespace: chebi_ontology
has_related_synonym: molecular chaperone Hsc70 ATPase inhibitor
has_related_synonym: molecular chaperone Hsc70 ATPase inhibitors
has_related_synonym: non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitor
has_related_synonym: non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitors
imported from: chebi.owl

fungal metabolite
type: Class
subclass of: eukaryotic metabolite
definition: Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
has_alternative_id: CHEBI:75765
id: CHEBI:76946
has_alternative_id: CHEBI:76947
has_obo_namespace: chebi_ontology
has_related_synonym: fungal metabolites
imported from: chebi.owl

Aspergillus metabolite
type: Class
subclass of: fungal metabolite
definition: Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus.
has_related_synonym: Aspergillus metabolites
has_alternative_id: CHEBI:75864
id: CHEBI:76956
has_alternative_id: CHEBI:76958
has_obo_namespace: chebi_ontology
imported from: chebi.owl

human xenobiotic metabolite
type: Class
subclass of: xenobiotic metabolite
subclass of: human metabolite
definition: Any human metabolite produced by metabolism of a xenobiotic compound in humans.
id: CHEBI:76967
has_obo_namespace: chebi_ontology
has_related_synonym: human xenobiotic metabolites
imported from: chebi.owl

bacterial metabolite
type: Class
subclass of: prokaryotic metabolite
definition: Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
has_alternative_id: CHEBI:75760
id: CHEBI:76969
has_alternative_id: CHEBI:76970
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Escherichia coli metabolite
type: Class
subclass of: bacterial metabolite
definition: Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
id: CHEBI:76971
has_related_synonym: E.coli metabolite
has_related_synonym: E.coli metabolites
has_related_synonym: Escherichia coli metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

bacterial xenobiotic metabolite
type: Class
subclass of: xenobiotic metabolite
subclass of: bacterial metabolite
definition: Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
id: CHEBI:76976
has_related_synonym: bacterial xenobiotic metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

phytoestrogen
type: Class
subclass of: estrogen
definition: Any compound produced by a plant that happens to have estrogenic activity.
id: CHEBI:76989
database_cross_reference: Wikipedia:Phytoestrogen
has_obo_namespace: chebi_ontology
has_related_synonym: phytoestrogens
imported from: chebi.owl

EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor
type: Class
subclass of: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor
definition: An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme in the EC 1.10.99.* category.
id: CHEBI:77019
has_related_synonym: EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors
has_related_synonym: EC 1.10.99.* inhibitor
has_related_synonym: EC 1.10.99.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor
has_related_synonym: oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors
imported from: chebi.owl

EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor
type: Class
subclass of: EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor
has_related_synonym: 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor
has_related_synonym: 1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors
definition: An EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor that interferes with the action of ribosyldihydronicotinamide dehydrogenase (quinone), EC 1.10.99.2.
id: CHEBI:77020
has_related_synonym: EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor
has_related_synonym: EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors
has_related_synonym: EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors
has_related_synonym: EC 1.10.99.2 inhibitor
has_related_synonym: EC 1.10.99.2 inhibitors
has_related_synonym: N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor
has_related_synonym: N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors
has_related_synonym: NAD(P)H:quinone oxidoreductase-2 inhibitor
has_related_synonym: NAD(P)H:quinone oxidoreductase-2 inhibitors
has_related_synonym: NAD(P)H:quinone oxidoreductase2 inhibitor
has_related_synonym: NAD(P)H:quinone oxidoreductase2 inhibitors
has_related_synonym: NQO2 inhibitor
has_related_synonym: NQO2 inhibitors
has_related_synonym: NRH:quinone oxidoreductase 2 inhibitor
has_related_synonym: NRH:quinone oxidoreductase 2 inhibitors
has_related_synonym: QR2 inhibitor
has_related_synonym: QR2 inhibitors
database_cross_reference: Wikipedia:Ribosyldihydronicotinamide_dehydrogenase_(quinone)
has_obo_namespace: chebi_ontology
has_related_synonym: quinone reductase 2 inhibitor
has_related_synonym: quinone reductase 2 inhibitors
has_related_synonym: ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor
has_related_synonym: ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors
imported from: chebi.owl

expectorant
type: Class
subclass of: drug
id: CHEBI:77035
definition: Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex.
database_cross_reference: PMID:17594730
has_obo_namespace: chebi_ontology
has_related_synonym: expectorants
imported from: chebi.owl

EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor
type: Class
subclass of: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor
definition: An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any such enzyme acting on the C-N bond of nitriles (EC 3.5.5.*).
id: CHEBI:77117
has_related_synonym: EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitors
has_related_synonym: EC 3.5.5.* inhibitor
has_related_synonym: EC 3.5.5.* inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: hydrolase acting on C-N bonds in nitriles (EC 3.5.5.*) inhibitor
has_related_synonym: hydrolase acting on C-N bonds in nitriles (EC 3.5.5.*) inhibitors
has_related_synonym: inhibitor of hydrolases acting on C-N bonds in nitriles
has_related_synonym: inhibitors of hydrolases acting on C-N bonds in nitriles
imported from: chebi.owl

EC 3.5.5.1 (nitrilase) inhhibitor
type: Class
subclass of: EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor
definition: An EC 3.5.5.* (hydrolase acting on C-N bonds in nitriles) inhibitor that interferes with the action of nitrilase (EC 3.5.5.1).
id: CHEBI:77118
has_related_synonym: EC 3.5.5.1 (nitrilase) inhhibitors
has_related_synonym: EC 3.5.5.1 inhhibitor
has_related_synonym: EC 3.5.5.1 inhhibitoras
database_cross_reference: Wikipedia:Nitrilase
has_related_synonym: acetonitrilase inhhibitor
has_related_synonym: acetonitrilase inhhibitors
has_related_synonym: benzonitrilase inhhibitor
has_related_synonym: benzonitrilase inhhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: nitrilase (EC 3.5.5.1) inhhibitor
has_related_synonym: nitrilase (EC 3.5.5.1) inhhibitorS
has_related_synonym: nitrile aminohydrolase inhhibitor
has_related_synonym: nitrile aminohydrolase inhhibitors
imported from: chebi.owl

EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor
type: Class
subclass of: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
has_related_synonym: (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor
has_related_synonym: (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors
has_related_synonym: 9-keto-prostaglandin E2 reductase inhibitor
has_related_synonym: 9-keto-prostaglandin E2 reductase inhibitors
has_related_synonym: 9-ketoprostaglandin reductase inhibitor
has_related_synonym: 9-ketoprostaglandin reductase inhibitors
definition: An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-E2 9-reductase (EC 1.1.1.189).
id: CHEBI:77119
has_related_synonym: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors
has_related_synonym: EC 1.1.1.189 inhibitor
has_related_synonym: EC 1.1.1.189 inhibitors
has_related_synonym: PGE-9-ketoreductase inhibitor
has_related_synonym: PGE-9-ketoreductase inhibitors
has_related_synonym: PGE2 9-oxoreductase inhibitor
has_related_synonym: PGE2 9-oxoreductase inhibitors
has_related_synonym: PGE2-9-OR inhibitor
has_related_synonym: PGE2-9-OR inhibitors
has_related_synonym: PGE2-9-ketoreductase inhibitor
has_related_synonym: PGE2-9-ketoreductase inhibitors
database_cross_reference: Wikipedia:Prostaglandin-E2_9-reductase
has_obo_namespace: chebi_ontology
has_related_synonym: prostaglandin 9-ketoreductase inhibitor
has_related_synonym: prostaglandin 9-ketoreductase inhibitors
has_related_synonym: prostaglandin E 9-ketoreductase inhibitor
has_related_synonym: prostaglandin E 9-ketoreductase inhibitors
has_related_synonym: prostaglandin E2-9-oxoreductase inhibitor
has_related_synonym: prostaglandin E2-9-oxoreductase inhibitors
has_related_synonym: prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor
has_related_synonym: prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors
has_related_synonym: reductase, 15-hydroxy-9-oxoprostaglandin inhibitor
has_related_synonym: reductase, 15-hydroxy-9-oxoprostaglandin inhibitors
imported from: chebi.owl

sinapic acid
type: Class
subclass of: monohydroxycinnamic acid
subclass of: phenylpropanoid
subclass of: phenols
subclass of: dimethoxybenzene
has_related_synonym: 224.21000
has_related_synonym: 3,5-dimethoxy-4-hydroxycinnamic acid
has_exact_synonym: 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
definition: A monohydroxycinnamic acid that is cinnamic acid in which the phenyl hydrogens at positions 3, 4, and 5 are replaced by methoxy, hydroxy, and methoxy groups, respectively.
has_related_synonym: C11H12O5
database_cross_reference: CAS:530-59-6
id: CHEBI:77131
has_related_synonym: COc1cc(C=CC(O)=O)cc(OC)c1O
database_cross_reference: DrugBank:DB08587
has_related_synonym: InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)
database_cross_reference: KEGG:C00482
has_related_synonym: PCMORTLOPMLEFB-UHFFFAOYSA-N
database_cross_reference: Wikipedia:Sinapinic_acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

food colouring
type: Class
subclass of: food additive
definition: A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199).
id: CHEBI:77182
database_cross_reference: Wikipedia:Food_coloring
has_obo_namespace: chebi_ontology
has_related_synonym: food coloring
has_related_synonym: food colorings
has_related_synonym: food colourings
imported from: chebi.owl

cardioprotective agent
type: Class
subclass of: protective agent
definition: Any protective agent that is able to prevent damage to the heart.
id: CHEBI:77307
has_related_synonym: cardioprotective agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

long-chain primary fatty alcohol
type: Class
subclass of: primary alcohol
subclass of: long-chain fatty alcohol
has_related_synonym: 1-methylene long chain fatty alcohol
definition: A long-chain fatty alcohol in which the hydroxy group is attached to a methylene (CH2) group.
has_related_synonym: CH3OR
id: CHEBI:77396
has_related_synonym: OC[*]
has_related_synonym: RCH2OH
has_related_synonym: a long-chain primary fatty alcohol
has_related_synonym: alpha-methylene long chain fatty alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tetracosan-1-ol
type: Class
subclass of: long-chain primary fatty alcohol
subclass of: fatty alcohol 24:0
subclass of: Restriction
  on property: has parent hydride
  some values from: tetracosane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-tetracosanol
has_related_synonym: 354.65320
definition: A long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine (Jasminum sambac).
has_related_synonym: C24H50O
database_cross_reference: CAS:506-51-4
database_cross_reference: CBA:321567
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCCCO
id: CHEBI:77413
database_cross_reference: LIPID_MAPS_instance:LMFA05000222
database_cross_reference: MetaCyc:CPD-7874
database_cross_reference: PMID:19716291
database_cross_reference: PMID:22417487
database_cross_reference: PMID:24239848
database_cross_reference: PMID:24386928
database_cross_reference: PMID:834119
database_cross_reference: Reaxys:1777129
has_related_synonym: TYWMIZZBOVGFOV-UHFFFAOYSA-N
database_cross_reference: Wikipedia:1-Tetracosanol
has_obo_namespace: chebi_ontology
has_related_synonym: lignoceric alcohol
has_related_synonym: lignoceryl alcohol
has_related_synonym: n-Tetracosanol-1
has_related_synonym: n-tetracosanol
has_exact_synonym: tetracosan-1-ol
has_related_synonym: tetracosanol
has_related_synonym: tetracosyl alcohol
imported from: chebi.owl

heptadecan-1-ol
type: Class
subclass of: long-chain primary fatty alcohol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 1-Hydroxyheptadecane
has_related_synonym: 1-heptadecanol
has_related_synonym: 256.46710
definition: A long-chain fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group.
has_related_synonym: C17H36O
database_cross_reference: CAS:1454-85-9
has_related_synonym: CCCCCCCCCCCCCCCCCO
id: CHEBI:77470
has_related_synonym: GOQYKNQRPGWPLP-UHFFFAOYSA-N
has_related_synonym: Heptadecanol
has_related_synonym: Heptadecyl alcohol
has_related_synonym: InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
database_cross_reference: PMID:19112892
database_cross_reference: PMID:20491078
database_cross_reference: Reaxys:1702195
has_obo_namespace: chebi_ontology
has_exact_synonym: heptadecan-1-ol
has_related_synonym: n-Heptadecanol
imported from: chebi.owl

EC 1.1.1.25 (shikimate dehydrogenase) inhibitor
type: Class
subclass of: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
has_related_synonym: 5-dehydroshikimate reductase inhibitor
has_related_synonym: 5-dehydroshikimate reductase inhibitors
has_related_synonym: 5-dehydroshikimic reductase inhibitor
has_related_synonym: 5-dehydroshikimic reductase inhibitors
definition: An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25).
has_related_synonym: AroE inhibitor
has_related_synonym: AroE inhibitors
id: CHEBI:77484
has_related_synonym: DHS reductase inhibitor
has_related_synonym: DHS reductase inhibitors
has_related_synonym: EC 1.1.1.25 (shikimate dehydrogenase) inhibitors
has_related_synonym: EC 1.1.1.25 inhibitor
has_related_synonym: EC 1.1.1.25 inhibitors
database_cross_reference: Wikipedia:Shikimate_dehydrogenase
has_obo_namespace: chebi_ontology
has_related_synonym: dehydroshikimic reductase inhibitor
has_related_synonym: dehydroshikimic reductase inhibitors
has_related_synonym: shikimate 5-dehydrogenase inhibitor
has_related_synonym: shikimate 5-dehydrogenase inhibitors
has_related_synonym: shikimate dehydrogenase (EC 1.1.1.25) inhibitor
has_related_synonym: shikimate dehydrogenase (EC 1.1.1.25) inhibitors
has_related_synonym: shikimate dehydrogenase inhibitor
has_related_synonym: shikimate dehydrogenase inhibitors
has_related_synonym: shikimate oxidoreductase inhibitor
has_related_synonym: shikimate oxidoreductase inhibitors
has_related_synonym: shikimate:NADP(+) 3-oxidoreductase inhibitor
has_related_synonym: shikimate:NADP(+) 3-oxidoreductase inhibitors
has_related_synonym: shikimate:NADP(+) 5-oxidoreductase inhibitor
has_related_synonym: shikimate:NADP(+) 5-oxidoreductase inhibitors
has_related_synonym: shikimate:NADP(+) oxidoreductase inhibitor
has_related_synonym: shikimate:NADP(+) oxidoreductase inhibitors
imported from: chebi.owl

thermal degradation product
type: Class
subclass of: chemical role
definition: Any product obtained as a result of thermally induced non-enzymatic degradation.
id: CHEBI:77521
has_obo_namespace: chebi_ontology
has_related_synonym: thermal artefact
has_related_synonym: thermal artefacts
has_related_synonym: thermal degradation products
imported from: chebi.owl

Maillard reaction product
type: Class
subclass of: thermal degradation product
definition: Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products).
id: CHEBI:77523
has_related_synonym: Maillard product
has_related_synonym: Maillard products
database_cross_reference: PMID:23588491
database_cross_reference: PMID:23612540
database_cross_reference: PMID:24246231
database_cross_reference: Wikipedia:Maillard_reaction
has_obo_namespace: chebi_ontology
has_related_synonym: maillard reaction products
imported from: chebi.owl

fatty acyl-CoA(4-)
type: Class
subclass of: acyl-CoA(4-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: fatty acyl-CoA
definition: An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any fatty acyl-CoA; major species at pH 7.3.
has_related_synonym: C22H31N7O17P3SR
id: CHEBI:77636
has_related_synonym: a fatty acyl-CoA
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acyl-coenzyme A(4-)
imported from: chebi.owl

emodin(1-)
type: Class
subclass of: phenolate anion
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
subclass of: Restriction
  on property: has role
  some values from: laxative
subclass of: Restriction
  on property: is conjugate base of
  some values from: emodin
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: tyrosine kinase inhibitor
has_related_synonym: 269.22950
has_exact_synonym: 4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate
definition: A phenolate anion that is the conjugate base of emodin, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3 (according to Marvin v 6.2.0.).
has_related_synonym: C15H9O5
id: CHEBI:77659
has_related_synonym: Cc1cc(O)c2C(=O)c3c(O)cc([O-])cc3C(=O)c2c1
has_related_synonym: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/p-1
has_related_synonym: RHMXXJGYXNZAPX-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: emodin
imported from: chebi.owl

formononetin(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: formononetin
has_related_synonym: 267.25670
has_exact_synonym: 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
definition: A flavonoid oxoanion that is the conjugate base of formononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
has_related_synonym: C16H11O4
id: CHEBI:77688
has_related_synonym: COc1ccc(cc1)-c1coc2cc([O-])ccc2c1=O
has_related_synonym: HKQYGTCOTHHOMP-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3/p-1
has_obo_namespace: chebi_ontology
has_related_synonym: formononetin
imported from: chebi.owl

bergaptol(1-)
type: Class
subclass of: phenolate anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: bergaptol
has_related_synonym: 201.15550
has_exact_synonym: 7-oxo-7H-furo[3,2-g]chromen-4-olate
definition: A phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
has_related_synonym: C11H5O4
id: CHEBI:77728
has_related_synonym: GIJHDGJRTUSBJR-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H/p-1
has_related_synonym: [O-]c1c2ccoc2cc2oc(=O)ccc12
has_related_synonym: bergaptol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

human metabolite
type: Class
subclass of: mammalian metabolite
definition: Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
has_alternative_id: CHEBI:75770
has_alternative_id: CHEBI:77123
id: CHEBI:77746
has_related_synonym: H. sapiens metabolite
has_related_synonym: H. sapiens metabolites
has_related_synonym: Homo sapiens metabolite
has_related_synonym: Homo sapiens metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

daidzein(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: daidzein
subclass of: Restriction
  on property: has role
  some values from: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
subclass of: Restriction
  on property: has role
  some values from: phytoestrogen
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: 253.23010
has_exact_synonym: 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate
definition: A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of daidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
has_related_synonym: C15H9O4
id: CHEBI:77764
has_related_synonym: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H/p-1
database_cross_reference: MetaCyc:DAIDZEIN
has_related_synonym: Oc1ccc(cc1)-c1coc2cc([O-])ccc2c1=O
database_cross_reference: PMID:21848266
database_cross_reference: PMID:23267126
database_cross_reference: PMID:23337939
database_cross_reference: PMID:23342971
database_cross_reference: PMID:23439294
database_cross_reference: PMID:9544566
has_related_synonym: ZQSIJRDFPHDXIC-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: daidzein
imported from: chebi.owl

luteolin 7-O-beta-D-glucoside(1-)
type: Class
subclass of: flavonoid oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: luteolin 7-O-beta-D-glucoside
has_exact_synonym: 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olate
has_related_synonym: 447.36950
definition: A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of luteolin 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
has_related_synonym: C21H19O11
id: CHEBI:77791
has_related_synonym: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/p-1/t16-,18-,19+,20-,21-/m1/s1
has_related_synonym: PEFNSGRTCBGNAN-QNDFHXLGSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: luteolin 7-O-beta-D-glucoside
imported from: chebi.owl

EC 3.5.1.4 (amidase) inhibitor
type: Class
subclass of: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
definition: An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4).
id: CHEBI:77941
has_related_synonym: EC 3.5.1.4 (amidase) inhibitors
has_related_synonym: EC 3.5.1.4 inhibitor
has_related_synonym: EC 3.5.1.4 inhibitors
has_related_synonym: N-acetylaminohydrolase inhibitor
has_related_synonym: N-acetylaminohydrolase inhibitors
database_cross_reference: Wikipedia:Amidase
has_related_synonym: acylamidase inhibitor
has_related_synonym: acylamidase inhibitors
has_related_synonym: acylamide amidohydrolase inhibitor
has_related_synonym: acylamide amidohydrolase inhibitors
has_related_synonym: amidase (EC 3.5.1.4) inhibitor
has_related_synonym: amidase (EC 3.5.1.4) inhibitors
has_related_synonym: amidase inhibitor
has_related_synonym: amidase inhibitors
has_related_synonym: amidohydrolase inhibitor
has_related_synonym: amidohydrolase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: deaminase inhibitor
has_related_synonym: deaminase inhibitors
has_related_synonym: fatty acylamidase inhibitor
has_related_synonym: fatty acylamidase inhibitors
imported from: chebi.owl

food stabiliser
type: Class
subclass of: food additive
definition: A food additive that is used to preserve the structure of food.
id: CHEBI:77966
database_cross_reference: Wikipedia:Stabiliser_(food)
has_obo_namespace: chebi_ontology
has_related_synonym: food stabilisers
has_related_synonym: food stabilizer
has_related_synonym: food stabilizers
has_related_synonym: stabiliser
has_related_synonym: stabilisers
has_related_synonym: stabilizer
has_related_synonym: stabilizers
imported from: chebi.owl

food thickening agent
type: Class
subclass of: food additive
definition: A food additive that is used to increase the viscosity of foodstuffs.
id: CHEBI:77970
has_obo_namespace: chebi_ontology
has_related_synonym: food thickening agents
has_related_synonym: thickening agent
has_related_synonym: thickening agents
imported from: chebi.owl

food gelling agent
type: Class
subclass of: food additive
definition: A food additive that enhances the texture of a foodstuff by gel formation.
id: CHEBI:78016
has_obo_namespace: chebi_ontology
has_related_synonym: food gelling agents
imported from: chebi.owl

food propellant
type: Class
subclass of: food additive
subclass of: propellant
definition: A propellant that is used to expel foods from an aerosol container.
id: CHEBI:78017
has_obo_namespace: chebi_ontology
has_related_synonym: food propellants
imported from: chebi.owl

octadecenoate
type: Class
subclass of: monounsaturated fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: octadecenoic acid
has_related_synonym: 281.4534
definition: A fatty acid anion containing 18 carbons and one double bond. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3.
has_related_synonym: C18H33O2
id: CHEBI:78049
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hexadecenoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: monounsaturated fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: hexadecenoic acid
has_related_synonym: 253.4003
definition: A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
has_related_synonym: C16H29O2
id: CHEBI:78095
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadecenoate
imported from: chebi.owl

fatty acid anion 3:0
type: Class
subclass of: short-chain fatty acid anion
subclass of: saturated fatty acid anion
has_related_synonym: 73.07060
definition: Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C3H5O2
id: CHEBI:78113
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 3:0
imported from: chebi.owl

fatty acid anion 4:0
type: Class
subclass of: short-chain fatty acid anion
subclass of: saturated fatty acid anion
has_related_synonym: 87.09718
definition: Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C4H7O2
id: CHEBI:78115
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 4:0
imported from: chebi.owl

fatty acid anion 6:0
type: Class
subclass of: saturated fatty acid anion
subclass of: medium-chain fatty acid anion
has_related_synonym: 115.15034
definition: Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C6H11O2
id: CHEBI:78116
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 6:0
imported from: chebi.owl

fatty acid anion 8:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 143.20350
definition: Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C8H15O2
id: CHEBI:78117
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 8:0
imported from: chebi.owl

fatty acid anion 10:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 171.25670
definition: Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C10H19O2
id: CHEBI:78118
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 10:0
imported from: chebi.owl

fatty acid anion 12:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 199.30982
definition: Any saturated fatty acid anion containing 12 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C12H23O2
id: CHEBI:78119
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 12:0
imported from: chebi.owl

fatty acid anion 14:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 227.36298
definition: Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C14H27O2
id: CHEBI:78121
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 14:0
imported from: chebi.owl

fatty acid anion 15:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 241.38960
definition: Any saturated fatty acid anion containing 15 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C15H29O2
id: CHEBI:78122
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 15:0
imported from: chebi.owl

fatty acid anion 16:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 255.41610
definition: Any saturated fatty acid anion containing 16 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C16H31O2
id: CHEBI:78123
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 16:0
imported from: chebi.owl

fatty acid anion 18:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 283.46930
definition: Any saturated fatty acid anion containing 18 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C18H35O2
id: CHEBI:78125
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 18:0
imported from: chebi.owl

fatty acid anion 22:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 339.57560
definition: Any saturated fatty acid anion containing 22 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C22H43O2
id: CHEBI:78127
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 22:0
imported from: chebi.owl

fatty acid anion 24:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 367.62880
definition: Any saturated fatty acid anion containing 24 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C24H47O2
id: CHEBI:78128
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 24:0
imported from: chebi.owl

fatty acid anion 26:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 395.68190
definition: Any saturated fatty acid anion containing 26 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C26H51O2
id: CHEBI:78129
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 26:0
imported from: chebi.owl

fatty acid anion 28:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 423.73510
definition: Any saturated fatty acid anion containing 28 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C28H55O2
id: CHEBI:78130
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 28:0
imported from: chebi.owl

fatty acid anion 30:0
type: Class
subclass of: saturated fatty acid anion
has_related_synonym: 451.78826
definition: Any saturated fatty acid anion containing 30 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
has_related_synonym: C30H59O2
id: CHEBI:78131
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: fatty acid 30:0
imported from: chebi.owl

fatty alcohol 18:0
type: Class
subclass of: fatty alcohol
has_related_synonym: 270.49372
definition: Any fatty alcohol containing 18 carbons.
has_related_synonym: C18H38O
id: CHEBI:78138
has_related_synonym: O[*]
has_obo_namespace: chebi_ontology
has_exact_synonym: fatty alcohol 18:0
imported from: chebi.owl

fatty alcohol 24:0
type: Class
subclass of: fatty alcohol
has_related_synonym: 354.65320
definition: Any fatty alcohol containing 24 carbons.
has_related_synonym: C24H50O
id: CHEBI:78142
has_related_synonym: O[*]
has_obo_namespace: chebi_ontology
has_exact_synonym: fatty alcohol 24:0
imported from: chebi.owl

fatty alcohol 30:0
type: Class
subclass of: fatty alcohol
has_related_synonym: 438.81270
definition: Any fatty alcohol containing 30 carbons.
has_related_synonym: C30H62O
id: CHEBI:78145
has_related_synonym: O[*]
has_obo_namespace: chebi_ontology
has_exact_synonym: fatty alcohol 30:0
imported from: chebi.owl

fatty acid ethyl ester
type: Class
subclass of: ethyl ester
subclass of: fatty acid ester
subclass of: Restriction
  on property: has functional parent
  some values from: fatty acid
definition: A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with ethanol.
has_related_synonym: C3H5O2R
has_related_synonym: CCOC([*])=O
id: CHEBI:78206
has_related_synonym: a fatty acid ethyl ester
has_obo_namespace: chebi_ontology
imported from: chebi.owl

food component
type: Class
subclass of: physiological role
definition: Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
id: CHEBI:78295
has_obo_namespace: chebi_ontology
has_related_synonym: dietary component
has_related_synonym: dietary components
has_related_synonym: food components
imported from: chebi.owl

environmental contaminant
type: Class
subclass of: chemical role
definition: Any minor or unwanted substance introduced into the environment that can have undesired effects.
id: CHEBI:78298
has_obo_namespace: chebi_ontology
has_related_synonym: environmental contaminants
imported from: chebi.owl

asarone
type: Class
subclass of: phenylpropanoid
subclass of: methoxybenzene
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzene
has_related_synonym: 2,4,5-trimethoxy-1-propenylbenzene
has_related_synonym: 208.25360
definition: A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus.
has_related_synonym: C12H16O3
id: CHEBI:78308
has_related_synonym: COc1cc(OC)c(C=CC)cc1OC
has_related_synonym: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3
has_related_synonym: RKFAZBXYICVSKP-UHFFFAOYSA-N
database_cross_reference: Reaxys:2210026
has_obo_namespace: chebi_ontology
imported from: chebi.owl

alpha-asarone
type: Class
subclass of: asarone
subclass of: Restriction
  on property: has role
  some values from: GABA modulator
subclass of: Restriction
  on property: has role
  some values from: anticonvulsant
has_exact_synonym: 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene
has_related_synonym: 208.25360
has_related_synonym: Asarone
has_related_synonym: C12H16O3
database_cross_reference: CAS:2883-98-9
id: CHEBI:78309
has_related_synonym: COc1cc(OC)c(\C=C\C)cc1OC
database_cross_reference: HMDB:HMDB31469
has_related_synonym: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
database_cross_reference: KEGG:C17846
database_cross_reference: PMID:22878197
database_cross_reference: PMID:22964166
database_cross_reference: PMID:22975146
database_cross_reference: PMID:24498829
database_cross_reference: PMID:24580506
has_related_synonym: RKFAZBXYICVSKP-AATRIKPKSA-N
database_cross_reference: Reaxys:1910606
definition: The trans-isomer of asarone.
database_cross_reference: Wikipedia:Asarone
has_obo_namespace: chebi_ontology
has_related_synonym: trans-1,2,4-trimethoxy-5-(1-propenyl)benzene
has_related_synonym: trans-Isoasaron
has_related_synonym: trans-Isoasarone
imported from: chebi.owl

4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
type: Class
subclass of: carbobicyclic compound
subclass of: cyclic ketone
subclass of: enone
has_related_synonym: 150.21760
has_exact_synonym: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
definition: A carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4.
has_related_synonym: C10H14O
database_cross_reference: CAS:18309-32-5
has_related_synonym: CC1=CC(=O)C2CC1C2(C)C
id: CHEBI:78315
has_related_synonym: DCSCXTJOXBUFGB-UHFFFAOYSA-N
has_related_synonym: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
database_cross_reference: KEGG:C09913
database_cross_reference: KNApSAcK:C00003067
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(S)-(-)-verbenone
type: Class
subclass of: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
subclass of: Restriction
  on property: is enantiomer of
  some values from: (R)-(+)-verbenone
subclass of: Restriction
  on property: has role
  some values from: expectorant
has_related_synonym: (-)-cis-verbenone
has_related_synonym: (-)-verbenone
has_exact_synonym: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
has_related_synonym: 150.21760
definition: A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration.
has_related_synonym: C10H14O
database_cross_reference: CAS:1196-01-6
has_related_synonym: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
id: CHEBI:78316
has_related_synonym: DCSCXTJOXBUFGB-JGVFFNPUSA-N
has_related_synonym: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
database_cross_reference: PMID:24339334
database_cross_reference: Reaxys:1907623
database_cross_reference: Wikipedia:Levoverbenone
has_obo_namespace: chebi_ontology
has_related_synonym: l-verbenoe
has_related_synonym: levoverbenone
imported from: chebi.owl

2-hydroxypropanoic acid
type: Class
subclass of: 2-hydroxy monocarboxylic acid
subclass of: Restriction
  on property: has role
  some values from: Daphnia magna metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: propionic acid
subclass of: Restriction
  on property: has role
  some values from: algal metabolite
subclass of: Restriction
  on property: is conjugate acid of
  some values from: lactate
has_exact_synonym: 2-Hydroxypropanoic acid
has_related_synonym: 2-Hydroxypropionic acid
has_exact_synonym: 2-hydroxypropanoic acid
has_related_synonym: 90.07790
definition: A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.
has_related_synonym: C3H6O3
database_cross_reference: CAS:50-21-5
has_related_synonym: CC(O)C(O)=O
id: CHEBI:78320
has_related_synonym: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
has_related_synonym: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
database_cross_reference: KEGG:C01432
database_cross_reference: KEGG:D00111
has_related_synonym: Lactic acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

refrigerant
type: Class
subclass of: application
definition: A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure.
id: CHEBI:78433
database_cross_reference: Wikipedia:Refrigerant
has_obo_namespace: chebi_ontology
has_related_synonym: refrigerants
imported from: chebi.owl

EC 3.1.1.1 (carboxylesterase) inhibitor
type: Class
subclass of: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
has_related_synonym: Alpha-carboxylesterase inhibitor
has_related_synonym: Alpha-carboxylesterase inhibitors
definition: Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
has_related_synonym: Beta-esterase inhibitor
has_related_synonym: Beta-esterase inhibitors
id: CHEBI:78444
has_related_synonym: EC 3.1.1.1 (carboxylesterase) inhibitors
has_related_synonym: ali-esterase inhibitor
has_related_synonym: ali-esterase inhibitors
has_related_synonym: butyrate esterase inhibitor
has_related_synonym: butyrate esterase inhibitors
has_related_synonym: butyryl esterase inhibitor
has_related_synonym: butyryl esterase inhibitors
has_related_synonym: carboxyl ester hydrolase inhibitor
has_related_synonym: carboxyl ester hydrolase inhibitors
has_related_synonym: carboxylate esterase inhibitor
has_related_synonym: carboxylate esterase inhibitors
has_related_synonym: carboxylesterase inhibitor
has_related_synonym: carboxylesterase inhibitors
has_related_synonym: carboxylic acid esterase inhibitor
has_related_synonym: carboxylic acid esterase inhibitors
has_related_synonym: carboxylic esterase inhibitor
has_related_synonym: carboxylic esterase inhibitors
has_related_synonym: carboxylic-ester hydrolase inhibitor
has_related_synonym: carboxylic-ester hydrolase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: cocaine esterase inhibitor
has_related_synonym: cocaine esterase inhibitors
has_related_synonym: esterase A inhibitor
has_related_synonym: esterase A inhibitors
has_related_synonym: esterase B inhibitor
has_related_synonym: esterase B inhibitors
has_related_synonym: esterase D inhibitor
has_related_synonym: esterase D inhibitors
has_related_synonym: methylbutyrase inhibitor
has_related_synonym: methylbutyrase inhibitors
has_related_synonym: methylbutyrate esterase inhibitor
has_related_synonym: methylbutyrate esterase inhibitors
has_related_synonym: monobutyrase inhibitor
has_related_synonym: monobutyrase inhibitors
has_related_synonym: nonspecific carboxylesterase inhibitor
has_related_synonym: nonspecific carboxylesterase inhibitors
has_related_synonym: procaine esterase inhibitor
has_related_synonym: procaine esterase inhibitors
has_related_synonym: propionyl esterase inhibitor
has_related_synonym: propionyl esterase inhibitors
has_related_synonym: serine esterase inhibitor
has_related_synonym: serine esterase inhibitors
has_related_synonym: triacetin esterase inhibitor
has_related_synonym: triacetin esterase inhibitors
has_related_synonym: vitamin A esterase inhibitor
has_related_synonym: vitamin A esterase inhibitors
imported from: chebi.owl

alpha-amino acid zwitterion
type: Class
subclass of: amino acid zwitterion
subclass of: Restriction
  on property: is tautomer of
  some values from: alpha-amino acid
definition: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3.
has_related_synonym: C2H4NO2R
id: CHEBI:78608
has_alternative_id: CHEBI:83409
database_cross_reference: MetaCyc:Alpha-Amino-Acids
has_related_synonym: [NH3+]C([*])C([O-])=O
has_related_synonym: an alpha-amino acid
has_obo_namespace: chebi_ontology
imported from: chebi.owl

carbohydrates and carbohydrate derivatives
type: Class
subclass of: organooxygen compound
definition: Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation.
id: CHEBI:78616
has_related_synonym: carbohydrates and derivatives
has_related_synonym: carbohydrates and their derivatives
has_obo_namespace: chebi_ontology
imported from: chebi.owl

fundamental metabolite
type: Class
subclass of: metabolite
definition: Any metabolite produced by all living cells.
id: CHEBI:78675
has_obo_namespace: chebi_ontology
has_related_synonym: essential metabolite
has_related_synonym: essential metabolites
has_related_synonym: fundamental metabolites
imported from: chebi.owl

pentadecanoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 15:0
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: pentadecanoic acid
subclass of: Restriction
  on property: has role
  some values from: animal metabolite
has_related_synonym: 241.39010
definition: A straight-chain, saturated fatty acid anion resulting from the deprotonation of the carboxy group of pentadecanoic acid. It is the major species at pH 7.3.
has_related_synonym: C15H29O2
has_related_synonym: CCCCCCCCCCCCCCC([O-])=O
id: CHEBI:78795
has_related_synonym: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1
has_related_synonym: WQEPLUUGTLDZJY-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_exact_synonym: pentadecanoate
imported from: chebi.owl

olefinic compound
type: Class
subclass of: organic molecular entity
definition: Any organic molecular entity that contains at least one C=C bond.
id: CHEBI:78840
has_obo_namespace: chebi_ontology
has_related_synonym: olefinic compounds
imported from: chebi.owl

4-terpineol
type: Class
subclass of: terpineol
subclass of: tertiary alcohol
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: apoptosis inducer
subclass of: Restriction
  on property: has role
  some values from: antioxidant
subclass of: Restriction
  on property: has role
  some values from: antiparasitic agent
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: volatile oil component
subclass of: Restriction
  on property: has role
  some values from: antibacterial agent
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: (+-)-p-Menth-1-en-4-ol
has_related_synonym: 1-Menthene-4-ol
has_related_synonym: 1-Methyl-4-isopropyl-1-cyclohexen-4-ol
has_related_synonym: 1-Terpinen-4-ol
has_related_synonym: 1-isopropyl-4-methylcyclohex-3-en-1-ol
has_related_synonym: 1-p-Menthen-4-ol
has_related_synonym: 1-para-Menthen-4-ol
has_related_synonym: 154.24930
has_related_synonym: 4-Carvomenthenol
has_related_synonym: 4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
has_related_synonym: 4-Methyl-1-isopropyl-3-cyclohexen-1-ol
has_exact_synonym: 4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
definition: A terpineol that is 1-menthene carrying a hydroxy substituent at position 4.
has_related_synonym: C10H18O
database_cross_reference: CAS:562-74-3
has_related_synonym: CC(C)C1(O)CCC(C)=CC1
id: CHEBI:78884
database_cross_reference: HMDB:HMDB35833
has_related_synonym: InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
database_cross_reference: KEGG:C17073
database_cross_reference: PMID:21760828
database_cross_reference: PMID:22998411
database_cross_reference: PMID:23292030
database_cross_reference: PMID:23469686
database_cross_reference: PMID:23649340
database_cross_reference: PMID:24349880
database_cross_reference: PMID:24460330
database_cross_reference: PMID:24731375
database_cross_reference: Reaxys:1906603
has_related_synonym: Terpene-4-ol
has_related_synonym: Terpin-4-en-1-ol
has_related_synonym: Terpinen-4-ol
has_related_synonym: Terpinene-4-ol
has_related_synonym: Terpinenol-4
has_related_synonym: Terpineol-4
has_related_synonym: WRYLYDPHFGVWKC-UHFFFAOYSA-N
has_related_synonym: alpha-terpinen-4-ol
has_obo_namespace: chebi_ontology
has_related_synonym: p-Menth-1-en-4-ol
imported from: chebi.owl

Paeoniflorin
type: Class
subclass of: terpene glycoside
has_related_synonym: 480.463
definition: A terpene glycoside that has formula C23H28O11.
has_related_synonym: C23H28O11
database_cross_reference: CAS:23180-57-6
id: CHEBI:7889
has_related_synonym: InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
database_cross_reference: KEGG:C09959
database_cross_reference: KNApSAcK:C00003011
has_exact_synonym: Paeoniflorin
has_related_synonym: YKRGDOXKVOZESV-WRJNSLSBSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Paeonolide
type: Class
subclass of: glycoside
has_related_synonym: 460.430
definition: A glycoside that has formula C20H28O12.
has_related_synonym: C20H28O12
database_cross_reference: CAS:72520-92-4
id: CHEBI:7891
has_related_synonym: IDZZECHGWAZTIB-NYBIBFQCSA-N
has_related_synonym: InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
database_cross_reference: KEGG:C10715
database_cross_reference: KNApSAcK:C00002705
has_exact_synonym: Paeonolide
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(omega-1)-hydroxy fatty acid
type: Class
subclass of: hydroxy fatty acid
subclass of: secondary alcohol
subclass of: Restriction
  on property: is conjugate acid of
  some values from: (omega-1)-hydroxy fatty acid anion
has_related_synonym: (omega-1)-hydroxy fatty acids
definition: A hydroxy fatty acid that is a straight-chain fatty acid in which one of the hydrogens attached to the carbon adjacent to the terminal methyl group (i.e. at the (omega-1) position) is replaced by a hydroxy group.
id: CHEBI:78954
has_obo_namespace: chebi_ontology
imported from: chebi.owl

hexadecanoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: fatty acid anion 16:0
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: Saccharomyces cerevisiae metabolite
subclass of: Restriction
  on property: is conjugate base of
  some values from: hexadecanoic acid
has_related_synonym: (16:0)
has_related_synonym: 1-hexyldecanoate
has_related_synonym: 1-pentadecanecarboxylate
has_related_synonym: 255.41610
definition: A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3.
database_cross_reference: Beilstein:3589907
has_related_synonym: C16H31O2
database_cross_reference: CAS:143-20-4
has_related_synonym: CCCCCCCCCCCCCCCC([O-])=O
has_related_synonym: CH3-[CH2]14-COO(-)
has_alternative_id: CHEBI:231736
id: CHEBI:7896
database_cross_reference: Gmelin:344266
database_cross_reference: HMDB:HMDB00220
has_related_synonym: Hexadecanoic acid, ion(1-)
has_related_synonym: IPCSVZSSVZVIGE-UHFFFAOYSA-M
has_related_synonym: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1
database_cross_reference: MetaCyc:PALMITATE
database_cross_reference: Reaxys:3589907
has_obo_namespace: chebi_ontology
has_exact_synonym: hexadecanoate
has_related_synonym: n-hexadecanoate
has_related_synonym: n-hexadecoate
has_related_synonym: palmitate
has_related_synonym: pentadecanecarboxylate
imported from: chebi.owl

(-)-Arctigenin
type: Class
subclass of: lignan
has_exact_synonym: (-)-Arctigenin
has_related_synonym: 372.412
definition: A lignan that has formula C21H24O6.
has_related_synonym: C21H24O6
database_cross_reference: CAS:7770-78-7
id: CHEBI:79
has_related_synonym: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
database_cross_reference: KEGG:C10545
database_cross_reference: KNApSAcK:C00000609
database_cross_reference: LINCS:LSM-3183
has_related_synonym: NQWVSMVXKMHKTF-JKSUJKDBSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tricosanoate
type: Class
subclass of: very long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 23:0
subclass of: Restriction
  on property: is conjugate base of
  some values from: tricosanoic acid
has_related_synonym: 353.60270
definition: A very long-chain fatty acid anion that is the conjugate base of tricosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
has_related_synonym: C23H45O2
has_related_synonym: CCCCCCCCCCCCCCCCCCCCCCC([O-])=O
id: CHEBI:79007
database_cross_reference: PMID:20671299
has_related_synonym: XEZVDURJDFGERA-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_exact_synonym: tricosanoate
imported from: chebi.owl

alpha,beta-unsaturated monocarboxylic acid
type: Class
subclass of: monocarboxylic acid
has_related_synonym: 2,3-unsaturated monocarboxylic acid
has_related_synonym: 2,3-unsaturated monocarboxylic acids
definition: A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond.
id: CHEBI:79020
has_related_synonym: alpha,beta-unsaturated monocarboxylic acids
has_obo_namespace: chebi_ontology
imported from: chebi.owl

plasticiser
type: Class
subclass of: application
definition: Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers.
id: CHEBI:79056
database_cross_reference: Wikipedia:Plasticizer
has_obo_namespace: chebi_ontology
has_related_synonym: plasticisers
has_related_synonym: plasticizer
has_related_synonym: plasticizers
imported from: chebi.owl

Parsonsine
type: Class
subclass of: macrolide
has_related_synonym: 439.500
definition: A macrolide that has formula C23H37NO7.
has_related_synonym: C23H37NO7
database_cross_reference: CAS:72213-98-0
id: CHEBI:7937
has_related_synonym: InChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14-,16-,18-,21+,22+/m1/s1
database_cross_reference: KEGG:C10357
database_cross_reference: KNApSAcK:C00002104
has_related_synonym: MPPSDVYCCOJJIB-QCNRXRGQSA-N
has_exact_synonym: Parsonsine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

trivalent inorganic anion
type: Class
subclass of: inorganic anion
definition: Any inorganic anion with a valency of three.
id: CHEBI:79387
has_obo_namespace: chebi_ontology
has_related_synonym: trivalent inorganic anions
imported from: chebi.owl

divalent inorganic anion
type: Class
subclass of: inorganic anion
definition: Any inorganic anion with a valency of two.
id: CHEBI:79388
has_obo_namespace: chebi_ontology
has_related_synonym: divalent inorganic anions
imported from: chebi.owl

monovalent inorganic anion
type: Class
subclass of: inorganic anion
definition: Any inorganic anion with a valency of one.
id: CHEBI:79389
has_obo_namespace: chebi_ontology
has_related_synonym: monovalent inorganic anions
imported from: chebi.owl

patchouli alcohol
type: Class
subclass of: sesquiterpenoid
subclass of: tertiary alcohol
subclass of: carbotricyclic compound
has_related_synonym: (-)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0(3,8)]undecan-3-ol
has_related_synonym: (-)-patchouli alcohol
has_related_synonym: (-)-patchoulol
has_exact_synonym: (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
has_related_synonym: 222.36630
definition: A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer).
has_related_synonym: C15H26O
database_cross_reference: CAS:5986-55-0
id: CHEBI:7940
has_related_synonym: GGHMUJBZYLPWFD-CUZKYEQNSA-N
has_related_synonym: InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1
database_cross_reference: KEGG:C09705
database_cross_reference: KNApSAcK:C00003168
database_cross_reference: MetaCyc:CPD-11399
database_cross_reference: PMID:20148554
database_cross_reference: PMID:3038029
has_exact_synonym: Patchouli alcohol
database_cross_reference: Reaxys:5730219
has_related_synonym: [1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol
has_obo_namespace: chebi_ontology
has_related_synonym: patchoulanol
has_related_synonym: patchouli camphor
has_related_synonym: patchoulic alcohol
has_related_synonym: patchoulol
has_exact_synonym: patchoulol
imported from: chebi.owl

Acutumine
type: Class
subclass of: alkaloid
has_related_synonym: 397.85000
definition: An alkaloid that has formula C19H24ClNO6.
has_related_synonym: C19H24ClNO6
database_cross_reference: CAS:17088-50-5
id: CHEBI:80789
has_related_synonym: FSXRARBVZZKCGJ-FMAJMWNWSA-N
has_related_synonym: InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1
database_cross_reference: KEGG:C16910
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Anemonin
type: Class
subclass of: butenolide
has_related_synonym: 192.16810
definition: A butenolide that has formula C10H8O4.
has_related_synonym: C10H8O4
database_cross_reference: CAS:508-44-1
id: CHEBI:80791
has_related_synonym: InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m1/s1
has_related_synonym: JLUQTCXCAFSSLD-NXEZZACHSA-N
database_cross_reference: KEGG:C16913
has_related_synonym: O=C1O[C@@]2(CC[C@@]22OC(=O)C=C2)C=C1
has_related_synonym: Pulsatilla camphor
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Arctiin
type: Class
subclass of: glycoside
subclass of: lignan
has_related_synonym: 534.55230
definition: A lignan that has formula C27H34O11.
has_related_synonym: C27H34O11
database_cross_reference: CAS:20362-31-6
id: CHEBI:80793
has_related_synonym: InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
database_cross_reference: KEGG:C16915
has_related_synonym: XOJVHLIYNSOZOO-SWOBOCGESA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Disinomenine
type: Class
subclass of: morphinane alkaloid
has_related_synonym: 656.76460
definition: A morphinane alkaloid that has formula C38H44N2O8.
has_related_synonym: AXVVWZONCVUAPP-QULPKBGFSA-N
has_related_synonym: Bisinomenine
has_related_synonym: C38H44N2O8
id: CHEBI:80819
has_related_synonym: InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1
database_cross_reference: KEGG:C16954
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Michelalbine
type: Class
subclass of: alkaloid
has_related_synonym: 281.30590
definition: An alkaloid that has formula C17H15NO3.
has_related_synonym: C17H15NO3
id: CHEBI:80850
has_related_synonym: CKIYSMRPIBQTHQ-JKSUJKDBSA-N
has_related_synonym: InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16+/m0/s1
database_cross_reference: KEGG:C16997
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Sweroside
type: Class
subclass of: glycoside
has_related_synonym: 358.34050
definition: A glycoside that has formula C16H22O9.
has_related_synonym: C16H22O9
database_cross_reference: CAS:14215-86-2
id: CHEBI:80907
has_related_synonym: InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
database_cross_reference: KEGG:C17071
has_related_synonym: VSJGJMKGNMDJCI-ZASXJUAOSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Tuduranine
type: Class
subclass of: isoquinoline alkaloid
has_related_synonym: 297.34840
definition: An isoquinoline alkaloid that has formula C18H19NO3.
has_related_synonym: C18H19NO3
id: CHEBI:80910
has_related_synonym: COc1cc2CCN[C@@H]3Cc4ccc(O)cc4-c(c1OC)c23
has_related_synonym: InChI=1S/C18H19NO3/c1-21-15-8-11-5-6-19-14-7-10-3-4-12(20)9-13(10)17(16(11)14)18(15)22-2/h3-4,8-9,14,19-20H,5-7H2,1-2H3/t14-/m1/s1
database_cross_reference: KEGG:C17077
has_related_synonym: KUECBJOPWMRHEX-CQSZACIVSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-phenyllactate
type: Class
subclass of: 2-hydroxy carboxylate
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-phenyllactic acid
subclass of: Restriction
  on property: has functional parent
  some values from: lactate
has_related_synonym: 165.16596
has_exact_synonym: 2-hydroxy-3-phenylpropanoate
definition: A 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid.
has_related_synonym: C9H9O3
id: CHEBI:8100
has_related_synonym: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1
has_related_synonym: OC(Cc1ccccc1)C([O-])=O
database_cross_reference: Reaxys:3667177
has_related_synonym: VOXXWSYKYCBWHO-UHFFFAOYSA-M
has_obo_namespace: chebi_ontology
has_related_synonym: phenyllactate
imported from: chebi.owl

Sinactine
type: Class
subclass of: alkaloid
has_related_synonym: 339.38500
definition: An alkaloid that has formula C20H21NO4.
has_related_synonym: C20H21NO4
database_cross_reference: CAS:38853-67-7
id: CHEBI:81368
has_related_synonym: COc1cc2CCN3Cc4c5OCOc5ccc4CC3c2cc1OC
has_related_synonym: InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
database_cross_reference: KEGG:C17898
has_related_synonym: UWEHVAXMSWXKRW-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Isosinomenine
type: Class
subclass of: morphinane alkaloid
has_related_synonym: 329.39020
definition: A morphinane alkaloid that has formula C19H23NO4.
has_related_synonym: C19H23NO4
id: CHEBI:81369
has_related_synonym: InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/t12-,13+,19-/m1/s1
database_cross_reference: KEGG:C17899
has_related_synonym: OWDQPILTDJLGCN-QHRIQVFBSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Simiarenol
type: Class
subclass of: triterpenoid
has_related_synonym: 426.71740
definition: A triterpenoid that has formula C30H50O.
has_related_synonym: C30H50O
database_cross_reference: CAS:1615-94-7
id: CHEBI:81371
has_related_synonym: InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1
database_cross_reference: KEGG:C17901
has_related_synonym: XVXPXUMUGATHPD-JMJRLLIOSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pinoresinol
type: Class
subclass of: lignan
subclass of: polyphenol
subclass of: furofuran
subclass of: Restriction
  on property: has functional parent
  some values from: coniferol
definition: A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl groups.
id: CHEBI:8225
database_cross_reference: PMID:15302525
database_cross_reference: PMID:16915861
database_cross_reference: PMID:20653530
database_cross_reference: Wikipedia:Pinoresinol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

2,4-Hexadienal
type: Class
subclass of: fatty aldehyde
has_related_synonym: (E,E)-2,4-Hexadienal
has_related_synonym: 96.12710
definition: A fatty aldehyde that has formula C6H8O.
has_related_synonym: BATOPAZDIZEVQF-MQQKCMAXSA-N
has_related_synonym: C6H8O
database_cross_reference: CAS:142-83-6
id: CHEBI:82334
has_related_synonym: C\C=C\C=C\C=O
has_related_synonym: InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
database_cross_reference: KEGG:C19249
has_obo_namespace: chebi_ontology
imported from: chebi.owl

elemental iron
type: Class
subclass of: iron molecular entity
subclass of: elemental molecular entity
definition: An elemental molecular entity in which all of the atoms have atomic number 26.
id: CHEBI:82663
has_obo_namespace: chebi_ontology
imported from: chebi.owl

monounsaturated fatty acid anion
type: Class
subclass of: unsaturated fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: monounsaturated fatty acid
definition: Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain.
id: CHEBI:82680
has_related_synonym: [O-]C([*])=O
has_obo_namespace: chebi_ontology
has_related_synonym: monounsaturated fatty acid anions
imported from: chebi.owl

oleanolate
type: Class
subclass of: monocarboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: oleanolic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_exact_synonym: 3beta-hydroxyolean-12-en-28-oate
has_related_synonym: 455.69290
definition: A monocarboxylic acid anion that is the conjugate base of oleanolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
has_related_synonym: C30H47O3
id: CHEBI:82828
has_related_synonym: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/p-1/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
has_related_synonym: MIJYXULNPSFWEK-GTOFXWBISA-M
database_cross_reference: PMID:18835348
has_obo_namespace: chebi_ontology
has_exact_synonym: oleanolate
imported from: chebi.owl

Daphnia galeata metabolite
type: Class
subclass of: Daphnia metabolite
definition: A Daphnia metabolite produced by the species Daphnia galeata.
id: CHEBI:83038
has_related_synonym: Daphnia galeata metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

crustacean metabolite
type: Class
subclass of: animal metabolite
definition: An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill.
id: CHEBI:83039
has_obo_namespace: chebi_ontology
has_related_synonym: crustacean metabolites
imported from: chebi.owl

Daphnia magna metabolite
type: Class
subclass of: Daphnia metabolite
definition: A Daphnia metabolite produced by the species Daphnia magna.
id: CHEBI:83056
has_related_synonym: Daphnia magna metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Daphnia metabolite
type: Class
subclass of: crustacean metabolite
definition: A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia
id: CHEBI:83057
has_related_synonym: Daphnia metabolites
database_cross_reference: Wikipedia:Daphnia
has_obo_namespace: chebi_ontology
imported from: chebi.owl

long-chain fatty acyl-CoA(4-)
type: Class
subclass of: fatty acyl-CoA(4-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: long-chain fatty acyl-CoA
definition: A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any long-chain fatty acyl-CoA; major species at pH 7.3.
has_related_synonym: C22H31N7O17P3SR
id: CHEBI:83139
has_related_synonym: a long-chain fatty acyl-CoA
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Daphnia tenebrosa metabolite
type: Class
subclass of: Daphnia metabolite
definition: A Daphnia metabolite produced by the species Daphnia tenebrosa.
id: CHEBI:83146
has_related_synonym: Daphnia tenebrosa metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

flavone C-glycoside
type: Class
subclass of: C-glycosyl compound
subclass of: flavones
definition: Any C-glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a flavone skeleton, thus creating a C-C bond.
id: CHEBI:83280
has_obo_namespace: chebi_ontology
has_related_synonym: flavone C-glycosides
imported from: chebi.owl

beta-D-glucosiduronate
type: Class
subclass of: acceptor beta-D-glucuronoside(1-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: beta-D-glucosiduronic acid
definition: A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any beta-D-glucosiduronic acid; major species at pH 7.3.
has_related_synonym: C6H8O7R
id: CHEBI:83411
database_cross_reference: MetaCyc:Beta-D-Glucuronides
has_related_synonym: a beta-D-glucuronoside
has_obo_namespace: chebi_ontology
imported from: chebi.owl

long-chain alkane
type: Class
subclass of: alkane
definition: Any alkane having a chain length of at least 13 carbon atoms.
id: CHEBI:83563
has_related_synonym: HR
has_related_synonym: [*]
has_related_synonym: a long-chain alkane
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-oxolacceroyl-CoA(4-)
type: Class
subclass of: 3-oxo-fatty acyl-CoA(4-)
subclass of: very long-chain fatty acyl-CoA
subclass of: 11,12-saturated fatty acyl-CoA(4-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-oxolacceroyl-CoA
has_related_synonym: 1240.32200
has_related_synonym: 3-ketodotriacontanoyl-coenzyme A(4-)
has_related_synonym: 3-ketolacceroyl-CoA(4-)
has_related_synonym: 3-ketolacceroyl-coenzyme A(4-)
has_related_synonym: 3-oxo-dotriacontanoyl-CoA
has_related_synonym: 3-oxodotriacontanoyl-CoA(4-)
has_related_synonym: 3-oxodotriacontanoyl-coenzyme A(4-)
has_related_synonym: 3-oxolacceroyl-coenzyme A(4-)
definition: A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxolacceroyl-CoA; major species at pH 7.3.
has_related_synonym: C53H92N7O18P3S
id: CHEBI:83795
has_related_synonym: VVJMBDPTYGWBEY-YQUCNGBHSA-J
has_obo_namespace: chebi_ontology
imported from: chebi.owl

proteinogenic amino acid derivative
type: Class
subclass of: amino acid derivative
subclass of: Restriction
  on property: has functional parent
  some values from: proteinogenic amino acid
definition: Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom.
id: CHEBI:83811
has_related_synonym: canonical amino acid derivative
has_related_synonym: canonical amino acid derivatives
has_related_synonym: canonical amino-acid derivative
has_related_synonym: canonical amino-acid derivatives
has_obo_namespace: chebi_ontology
has_related_synonym: proteinogenic amino acid derivatives
has_related_synonym: proteinogenic amino-acid derivative
has_related_synonym: proteinogenic amino-acid derivatives
imported from: chebi.owl

proteinogenic amino acid
type: Class
subclass of: carboxylic acid
subclass of: organonitrogen compound
definition: Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration.
id: CHEBI:83813
database_cross_reference: Wikipedia:Proteinogenic_amino_acid
has_related_synonym: canonical amino acid
has_related_synonym: canonical amino acids
has_obo_namespace: chebi_ontology
has_related_synonym: proteinogenic amino acids
imported from: chebi.owl

non-proteinogenic amino acid
type: Class
subclass of: amino acid
definition: Any amino-acid that is not naturally encoded in the genetic code of any organism.
id: CHEBI:83820
database_cross_reference: Wikipedia:Non-proteinogenic_amino_acids
has_obo_namespace: chebi_ontology
has_related_synonym: non-canonical amino acid
has_related_synonym: non-canonical amino acids
has_related_synonym: non-canonical amino-acid
has_related_synonym: non-canonical amino-acids
has_related_synonym: non-coded amino acid
has_related_synonym: non-coded amino acids
has_related_synonym: non-coded amino-acid
has_related_synonym: non-coded amino-acids
has_related_synonym: non-proteinogenic amino acids
has_related_synonym: non-proteinogenic amino-acid
has_related_synonym: non-proteinogenic amino-acids
imported from: chebi.owl

amino acid derivative
type: Class
subclass of: organonitrogen compound
definition: Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues.
has_alternative_id: CHEBI:25359
id: CHEBI:83821
has_related_synonym: amino acid derivatives
has_obo_namespace: chebi_ontology
has_related_synonym: modified amino acids
imported from: chebi.owl

non-proteinogenic alpha-amino acid
type: Class
subclass of: alpha-amino acid
subclass of: non-proteinogenic amino acid
definition: Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.
id: CHEBI:83925
has_obo_namespace: chebi_ontology
has_related_synonym: non-proteinogenic alpha-amino acids
has_related_synonym: non-proteinogenic alpha-amino-acid
has_related_synonym: non-proteinogenic alpha-amino-acids
imported from: chebi.owl

3-methyl fatty acid anion
type: Class
subclass of: methyl-branched fatty acid anion
has_related_synonym: 3-methyl fatty acid
has_related_synonym: 3-methyl-branched fatty acid anion
has_related_synonym: 3-methyl-branched fatty acid(1-)
definition: A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3.
has_related_synonym: C4H6O2R
has_related_synonym: CC([*])CC([O-])=O
id: CHEBI:83972
has_obo_namespace: chebi_ontology
imported from: chebi.owl

pentose phosphate
type: Class
subclass of: phospho sugar
subclass of: pentose derivative
definition: Any phospho sugar that is the phosphate derivative of pentose.
id: CHEBI:84055
has_obo_namespace: chebi_ontology
has_related_synonym: pentose phosphates
imported from: chebi.owl

human urinary metabolite
type: Class
subclass of: human metabolite
definition: Any metabolite (endogenous or exogenous) found in human urine samples.
id: CHEBI:84087
has_obo_namespace: chebi_ontology
has_related_synonym: human urinary metabolites
imported from: chebi.owl

3-hydroxy fatty acid anion
type: Class
subclass of: hydroxy fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: 3-hydroxy fatty acid
has_related_synonym: 3-hydroxy fatty acid
definition: A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any 3-hydroxy fatty acid.
has_related_synonym: C3H4O3R
id: CHEBI:84196
has_related_synonym: OC([*])CC([O-])=O
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 3.5.1.19 (nicotinamidase) inhibitor
type: Class
subclass of: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
definition: An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of nicotinamidase (EC 3.5.1.19).
id: CHEBI:84264
has_related_synonym: EC 3.5.1.19 (nicotinamidase) inhibitors
has_related_synonym: EC 3.5.1.19 inhibitor
has_related_synonym: EC 3.5.1.19 inhibitors
database_cross_reference: Wikipedia:Nicotinamidase
has_related_synonym: YNDase inhibitor
has_related_synonym: YNDase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: nicotinamidase (EC 3.5.1.19) inhibitor
has_related_synonym: nicotinamidase (EC 3.5.1.19) inhibitors
has_related_synonym: nicotinamidase inhibitor
has_related_synonym: nicotinamidase inhibitors
has_related_synonym: nicotinamide amidase inhibitor
has_related_synonym: nicotinamide amidase inhibitors
has_related_synonym: nicotinamide amidohydrolase inhibitor
has_related_synonym: nicotinamide amidohydrolase inhibitors
has_related_synonym: nicotinamide deaminase inhibitor
has_related_synonym: nicotinamide deaminase inhibitors
imported from: chebi.owl

nonanal
type: Class
subclass of: fatty aldehyde
subclass of: Restriction
  on property: has functional parent
  some values from: nonanoic acid
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 142.23860
definition: A fatty aldehyde formally arising from reduction of nonanoic acis. Metabolite observed in cancer metabolism.
has_related_synonym: C9H18O
database_cross_reference: CAS:124-19-6
has_related_synonym: CCCCCCCCC=O
id: CHEBI:84268
has_related_synonym: GYHFUZHODSMOHU-UHFFFAOYSA-N
database_cross_reference: HMDB:HMDB59835
has_related_synonym: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
database_cross_reference: KNApSAcK:C00030828
database_cross_reference: LIPID_MAPS_instance:LMFA06000040
database_cross_reference: MetaCyc:CPD-8491
database_cross_reference: PMID:25172748
database_cross_reference: PMID:25466114
database_cross_reference: PMID:25518943
database_cross_reference: Reaxys:1236701
database_cross_reference: Wikipedia:Nonanal
has_obo_namespace: chebi_ontology
has_related_synonym: n-nonaldehyde
has_exact_synonym: nonanal
has_related_synonym: nonanoic aldehyde
has_related_synonym: nonyl aldehyde
has_related_synonym: nonylaldehyde
has_related_synonym: nonylic aldehyde
has_related_synonym: pelargonaldehyde
has_related_synonym: pelargonic aldehyde
imported from: chebi.owl

cholesteryl myristate
type: Class
subclass of: cholesterol ester
subclass of: Restriction
  on property: has role
  some values from: mouse metabolite
has_exact_synonym: (3beta)-cholest-5-en-3-yl tetradecanoate
has_related_synonym: 1-Myristoyl-cholesterol
has_related_synonym: 597.00920
definition: A cholesterol ester obtained by the formal condensation of the hydroxy group of cholesterol with the carboxy group of myristic acid.
has_related_synonym: C41H72O2
database_cross_reference: CAS:1989-52-2
has_related_synonym: CE(14:0)
has_related_synonym: CE(14:0/0:0)
id: CHEBI:84304
has_related_synonym: Cholesterol 1-tetradecanoic acid
has_related_synonym: Cholesterol Ester(14:0)
has_related_synonym: Cholesterol Ester(14:0/0:0)
database_cross_reference: HMDB:HMDB06725
has_related_synonym: InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
database_cross_reference: LIPID_MAPS_instance:LMST01020004
database_cross_reference: PMID:20674581
database_cross_reference: PMID:20970407
database_cross_reference: PMID:22339978
database_cross_reference: PMID:6947261
database_cross_reference: Reaxys:2068082
has_related_synonym: SJDMTGSQPOFVLR-ZPQCIJQQSA-N
has_obo_namespace: chebi_ontology
has_related_synonym: cholesteryl tetradecanoate
imported from: chebi.owl

(omega-1)-hydroxy fatty acid anion
type: Class
subclass of: hydroxy fatty acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: (omega-1)-hydroxy fatty acid
has_related_synonym: (omega-1)-hydroxy fatty acid
has_exact_synonym: (omega-1)-hydroxy fatty acid anion
definition: A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any (omega-1)-hydroxy fatty acid; major species at pH 7.3.
has_related_synonym: C3H5O3R
has_related_synonym: CC(O)[*]C([O-])=O
id: CHEBI:84497
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-oxolacceroyl-CoA
type: Class
subclass of: 3-oxo-fatty acyl-CoA
subclass of: long-chain fatty acyl-CoA
subclass of: 11,12-saturated fatty acyl-CoA
subclass of: Restriction
  on property: has role
  some values from: human metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: lacceroic acid
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 3-oxolacceroyl-CoA(4-)
has_related_synonym: 1244.35200
has_exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxodotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
has_related_synonym: 3-ketodotriacontanoyl-CoA
has_related_synonym: 3-ketodotriacontanoyl-coenzyme A
has_related_synonym: 3-ketolacceroyl-CoA
has_related_synonym: 3-ketolacceroyl-coenzyme A
has_related_synonym: 3-oxodotriacontanoyl-CoA
has_related_synonym: 3-oxodotriacontanoyl-coenzyme A
has_related_synonym: 3-oxolacceroyl-coenzyme A
definition: A 3-oxo-fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxolacceroic acid.
has_related_synonym: C53H96N7O18P3S
id: CHEBI:84584
has_related_synonym: VVJMBDPTYGWBEY-YQUCNGBHSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

trans-2,3-unsaturated fatty aldehyde
type: Class
subclass of: fatty aldehyde
subclass of: enal
has_related_synonym: 2E-fatty aldehyde
definition: A fatty aldehyde with a trans-double bond at carbon 2.
has_related_synonym: C3H3OR
id: CHEBI:84588
has_related_synonym: [*]\C=C\C=O
has_obo_namespace: chebi_ontology
has_related_synonym: trans-2-enal
imported from: chebi.owl

algal metabolite
type: Class
subclass of: eukaryotic metabolite
definition: Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
id: CHEBI:84735
has_related_synonym: algal metabolites
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ethyl hexadecanoate
type: Class
subclass of: long-chain fatty acid ethyl ester
subclass of: hexadecanoate ester
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 284.47720
definition: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol.
has_related_synonym: C18H36O2
database_cross_reference: CAS:628-97-7
has_related_synonym: CCCCCCCCCCCCCCCC(=O)OCC
id: CHEBI:84932
has_related_synonym: Ethyl cetylate
database_cross_reference: HMDB:HMDB29811
has_related_synonym: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
database_cross_reference: LIPID_MAPS_instance:LMFA07010471
database_cross_reference: PMID:22936608
database_cross_reference: PMID:24431044
database_cross_reference: PMID:24794020
has_related_synonym: Palmitic acid ethyl ester
database_cross_reference: Reaxys:1782663
has_related_synonym: WE(2:0/16:0)
has_related_synonym: XIRNKXNNONJFQO-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
has_exact_synonym: ethyl hexadecanoate
has_related_synonym: ethyl palmitate
imported from: chebi.owl

ethyl oleate
type: Class
subclass of: long-chain fatty acid ethyl ester
subclass of: Restriction
  on property: has functional parent
  some values from: oleic acid
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: acaricide
has_related_synonym: 310.51450
definition: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol.
has_related_synonym: C20H38O2
database_cross_reference: CAS:111-62-6
has_related_synonym: CCCCCCCC\C=C/CCCCCCCC(=O)OCC
id: CHEBI:84940
has_related_synonym: Ethyl cis-9-octadecenoate
database_cross_reference: HMDB:HMDB34451
has_related_synonym: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
database_cross_reference: KEGG:D04090
has_related_synonym: LVGKNOAMLMIIKO-QXMHVHEDSA-N
database_cross_reference: MetaCyc:CPD-14388
database_cross_reference: PMID:25596105
database_cross_reference: PMID:25612070
database_cross_reference: Reaxys:1727318
database_cross_reference: Wikipedia:Ethyl_oleate
has_obo_namespace: chebi_ontology
has_exact_synonym: ethyl (9Z)-octadec-9-enoate
has_related_synonym: ethyl (9Z)-octadecenoate
has_related_synonym: oleic acid ethyl ester
imported from: chebi.owl

11,12-saturated fatty acyl-CoA(4-)
type: Class
subclass of: fatty acyl-CoA(4-)
subclass of: Restriction
  on property: is conjugate base of
  some values from: 11,12-saturated fatty acyl-CoA
definition: Any fatty acyl-CoA(4-) in which the 11-12 bond of the fatty acyl group is saturated. This is needed for a reaction together with CHEBI:84947
has_related_synonym: C33H53N7O17P3SR
id: CHEBI:84948
database_cross_reference: PMID:10563812
database_cross_reference: PMID:2295634
has_related_synonym: an 11,12-saturated fatty acyl-CoA
has_obo_namespace: chebi_ontology
imported from: chebi.owl

skin lightening agent
type: Class
subclass of: cosmetic
definition: Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin.
id: CHEBI:85046
database_cross_reference: PMID:21265866
database_cross_reference: PMID:22132817
database_cross_reference: PMID:22314516
database_cross_reference: PMID:23891889
database_cross_reference: PMID:23974587
database_cross_reference: PMID:25535470
database_cross_reference: PMID:25574195
database_cross_reference: PMID:25643794
database_cross_reference: Wikipedia:Skin_whitening
has_obo_namespace: chebi_ontology
has_related_synonym: melanogenesis inhibitor
has_related_synonym: melanogenesis inhibitors
has_related_synonym: skin bleaching agent
has_related_synonym: skin bleaching agents
has_related_synonym: skin depigmenting agent
has_related_synonym: skin depigmenting agents
has_related_synonym: skin lightening agents
has_related_synonym: skin whitening agent
has_related_synonym: skin whitening agents
imported from: chebi.owl

EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor
type: Class
subclass of: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor
definition: An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.10.3.*).
id: CHEBI:85048
has_related_synonym: EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitors
has_related_synonym: EC 1.10.3.* inhibitor
has_related_synonym: EC 1.10.3.* inhibitors
has_obo_namespace: chebi_ontology
imported from: chebi.owl

EC 1.10.3.1 (catechol oxidase) inhibitor
type: Class
subclass of: EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor
has_related_synonym: 1,2-benzenediol:oxygen oxidoreductase inhibitor
has_related_synonym: 1,2-benzenediol:oxygen oxidoreductase inhibitors
definition: Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of catechol oxidase (EC 1.10.3.1).
id: CHEBI:85049
has_related_synonym: Dopa oxidase inhibitor
has_related_synonym: Dopa oxidase inhibitors
has_related_synonym: EC 1.10.3.1 (catechol oxidase) inhibitors
has_related_synonym: EC 1.10.3.1 inhibitor
has_related_synonym: EC 1.10.3.1 inhibitors
database_cross_reference: Wikipedia:Catechol_oxidase
has_related_synonym: catechol oxidase (EC 1.10.3.1) inhibitor
has_related_synonym: catechol oxidase (EC 1.10.3.1) inhibitors
has_related_synonym: catechol oxidase inhibitor
has_related_synonym: catechol oxidase inhibitors
has_related_synonym: catecholase inhibitor
has_related_synonym: catecholase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: diphenol oxidase inhibitor
has_related_synonym: diphenol oxidase inhibitors
has_related_synonym: o-diphenol oxidoreductase inhibitor
has_related_synonym: o-diphenol oxidoreductase inhibitors
has_related_synonym: o-diphenol:oxygen oxidoreductase inhibitor
has_related_synonym: o-diphenol:oxygen oxidoreductase inhibitors
has_related_synonym: o-diphenolase inhibitor
has_related_synonym: o-diphenolase inhibitors
has_related_synonym: phenolase inhibitor
has_related_synonym: phenolase inhibitors
has_related_synonym: polyphenol oxidase inhibitor
has_related_synonym: polyphenol oxidase inhibitors
has_related_synonym: pyrocatechol oxidase inhibitor
has_related_synonym: pyrocatechol oxidase inhibitors
has_related_synonym: tyrosinase inhibitor
has_related_synonym: tyrosinase inhibitors
imported from: chebi.owl

EC 1.10.3.2 (laccase) inhibitor
type: Class
subclass of: EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor
definition: Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of laccase (EC 1.10.3.2).
id: CHEBI:85050
has_related_synonym: EC 1.10.3.2 (laccase) inhibitors
has_related_synonym: EC 1.10.3.2 inhibitor
has_related_synonym: EC 1.10.3.2 inhibitors
database_cross_reference: Wikipedia:Laccase
has_related_synonym: benzenediol:oxygen oxidoreductase inhibitor
has_related_synonym: benzenediol:oxygen oxidoreductase inhibitors
has_obo_namespace: chebi_ontology
has_related_synonym: laccase (EC 1.10.3.2) inhibitor
has_related_synonym: laccase (EC 1.10.3.2) inhibitors
has_related_synonym: laccase inhibitor
has_related_synonym: laccase inhibitors
has_related_synonym: p-diphenol oxidase inhibitor
has_related_synonym: p-diphenol oxidase inhibitors
has_related_synonym: urishiol oxidase inhibitor
has_related_synonym: urishiol oxidase inhibitors
has_related_synonym: urushiol oxidase inhibitor
has_related_synonym: urushiol oxidase inhibitors
imported from: chebi.owl

EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor
type: Class
subclass of: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor
definition: Any EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor that interferes with the action of quercetin 2,3-dioxygenase (EC 1.13.1.24).
id: CHEBI:85051
has_related_synonym: EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitors
has_related_synonym: EC 1.13.11.24 inhibitor
has_related_synonym: EC 1.13.11.24 inhibitors
database_cross_reference: Wikipedia:Quercetin_2,3-dioxygenase
has_obo_namespace: chebi_ontology
has_related_synonym: flavonol 2,4-oxygenase inhibitor
has_related_synonym: flavonol 2,4-oxygenase inhibitors
has_related_synonym: quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitor
has_related_synonym: quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitors
has_related_synonym: quercetin 2,3-dioxygenase inhibitor
has_related_synonym: quercetin 2,3-dioxygenase inhibitors
has_related_synonym: quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitor
has_related_synonym: quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitors
has_related_synonym: quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitor
has_related_synonym: quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitors
has_related_synonym: quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitor
has_related_synonym: quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitors
has_related_synonym: quercetinase inhibitor
has_related_synonym: quercetinase inhibitors
imported from: chebi.owl

EC 1.4.3.3 (D-amino-acid oxidase) inhibitor
type: Class
subclass of: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor
definition: Any EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of D-amino-acid oxidase (EC 1.4.3.3).
id: CHEBI:85052
has_related_synonym: D-amino-acid oxidase (EC 1.4.3.3) inhibitor
has_related_synonym: D-amino-acid oxidase (EC 1.4.3.3) inhibitors
has_related_synonym: D-amino-acid oxidase inhibitor
has_related_synonym: D-amino-acid oxidase inhibitors
has_related_synonym: D-amino-acid:oxygen oxidoreductase (deaminating) inhibitor
has_related_synonym: D-amino-acid:oxygen oxidoreductase (deaminating) inhibitors
has_related_synonym: EC 1.4.3.3 (D-amino-acid oxidase) inhibitors
has_related_synonym: EC 1.4.3.3 inhibitor
has_related_synonym: EC 1.4.3.3 inhibitors
has_related_synonym: L-amino acid:O2 oxidoreductase inhibitor
has_related_synonym: L-amino acid:O2 oxidoreductase inhibitors
database_cross_reference: Wikipedia:D-amino_acid_oxidase
has_obo_namespace: chebi_ontology
has_related_synonym: new yellow enzyme inhibitor
has_related_synonym: new yellow enzyme inhibitors
has_related_synonym: ophio-amino-acid oxidase inhibitor
has_related_synonym: ophio-amino-acid oxidase inhibitors
imported from: chebi.owl

human blood serum metabolite
type: Class
subclass of: human metabolite
definition: Any metabolite (endogenous or exogenous) found in human blood serum samples.
id: CHEBI:85234
has_obo_namespace: chebi_ontology
has_related_synonym: human blood serum metabolites
imported from: chebi.owl

11,12-saturated fatty acyl-CoA
type: Class
subclass of: fatty acyl-CoA
subclass of: Restriction
  on property: is conjugate acid of
  some values from: 11,12-saturated fatty acyl-CoA(4-)
definition: Any fatty acyl-CoA in which the 11-12 bond of the fatty acyl group is saturated.
has_related_synonym: C33H57N7O17P3SR
id: CHEBI:85348
has_obo_namespace: chebi_ontology
imported from: chebi.owl

antifungal drug
type: Class
subclass of: antiinfective agent
subclass of: antifungal agent
definition: Any antifungal agent used to prevent or treat fungal infections in humans or animals.
id: CHEBI:86327
database_cross_reference: Wikipedia:Antifungal
has_related_synonym: anti-fungal drug
has_related_synonym: anti-fungal drugs
has_related_synonym: anti-fungal medication
has_related_synonym: anti-fungal medications
has_related_synonym: antifungal drugs
has_related_synonym: antifungal medication
has_related_synonym: antifungal medications
has_obo_namespace: chebi_ontology
has_related_synonym: pharmaceutical fungicide
has_related_synonym: pharmaceutical fungicides
imported from: chebi.owl

botanical anti-fungal agent
type: Class
subclass of: heteroorganic entity
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has role
  some values from: antifungal agent
id: CHEBI:86494
definition: Heteroorganic entities that are plant metabolites which have significant antifungal properties.
has_related_synonym: botanical anti-fungal agents
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ADP(2-)
type: Class
subclass of: organophosphate oxoanion
subclass of: Restriction
  on property: is conjugate base of
  some values from: ADP
subclass of: Restriction
  on property: is conjugate acid of
  some values from: ADP(3-)
has_related_synonym: 425.18630
definition: An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5'-diphosphate.
has_related_synonym: C10H13N5O10P2
id: CHEBI:87518
has_related_synonym: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
database_cross_reference: Reaxys:7558006
has_related_synonym: XTWYTFMLZFPYCI-KQYNXXCUSA-L
has_obo_namespace: chebi_ontology
imported from: chebi.owl

myrcenol
type: Class
subclass of: monoterpenoid
subclass of: tertiary alcohol
subclass of: Restriction
  on property: has role
  some values from: fragrance
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 154.24930
has_exact_synonym: 2-methyl-6-methylideneoct-7-en-2-ol
definition: A monoterpenoid that is oct-7-en-2-ol substituted by a methyl group at position 2 and a methylidene group at position 6 respectively.
has_related_synonym: C10H18O
database_cross_reference: CAS:543-39-5
has_related_synonym: CC(C)(O)CCCC(=C)C=C
id: CHEBI:87529
has_related_synonym: DUNCVNHORHNONW-UHFFFAOYSA-N
database_cross_reference: HMDB:HMDB36107
has_related_synonym: InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3
database_cross_reference: PMID:18640191
database_cross_reference: PMID:24305835
database_cross_reference: PMID:25221621
database_cross_reference: Reaxys:1744474
has_obo_namespace: chebi_ontology
imported from: chebi.owl

1,1,6-trimethyltetralin
type: Class
subclass of: ortho-fused bicyclic hydrocarbon
subclass of: tetralins
subclass of: Restriction
  on property: has parent hydride
  some values from: tetralin
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_exact_synonym: 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene
has_related_synonym: 174.28200
definition: A member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively.
has_related_synonym: C13H18
database_cross_reference: CAS:475-03-6
id: CHEBI:87604
has_related_synonym: Cc1ccc2c(CCCC2(C)C)c1
has_related_synonym: InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
has_related_synonym: LTMQZVLXCLQPCT-UHFFFAOYSA-N
database_cross_reference: Reaxys:1862519
has_obo_namespace: chebi_ontology
imported from: chebi.owl

3-furaldehyde
type: Class
subclass of: aldehyde
subclass of: furans
subclass of: Restriction
  on property: has parent hydride
  some values from: furan
subclass of: Restriction
  on property: has role
  some values from: metabolite
has_related_synonym: 96.08410
has_related_synonym: AZVSIHIBYRHSLB-UHFFFAOYSA-N
definition: An aldehyde that is furan substituted by a formyl group at position 3.
has_related_synonym: C5H4O2
database_cross_reference: CAS:498-60-2
id: CHEBI:87609
has_related_synonym: InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
has_related_synonym: O=Cc1ccoc1
database_cross_reference: PMID:21050023
database_cross_reference: PMID:23452467
database_cross_reference: Reaxys:105852
has_obo_namespace: chebi_ontology
has_exact_synonym: furan-3-carbaldehyde
imported from: chebi.owl

polyamine
type: Class
subclass of: organic amino compound
definition: Any organic amino compound that contains two or more amino groups.
id: CHEBI:88061
database_cross_reference: Wikipedia:Polyamine
has_obo_namespace: chebi_ontology
has_related_synonym: polyamines
imported from: chebi.owl

fatty acid anion 23:0
type: Class
subclass of: saturated fatty acid anion
definition: Any saturated fatty acid anion containing 23 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
id: CHEBI:88081
has_obo_namespace: chebi_ontology
imported from: chebi.owl

metal cation allergen
type: Class
subclass of: metal cation
subclass of: Restriction
  on property: has role
  some values from: allergen
definition: Any metal cation which causes the onset of an allergic reaction.
id: CHEBI:88186
has_related_synonym: allergenic metal cation
has_related_synonym: allergenic metal cations
has_related_synonym: allergenic metal ion
has_related_synonym: allergenic metal ions
has_obo_namespace: chebi_ontology
has_related_synonym: metal cation allergens
has_related_synonym: metal ion allergen
has_related_synonym: metal ion allergens
imported from: chebi.owl

drug allergen
type: Class
subclass of: drug
subclass of: allergen
definition: Any drug which causes the onset of an allergic reaction.
id: CHEBI:88188
has_related_synonym: allergenic drug
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Linalyl oxide
type: Class
subclass of: oxolanes
has_related_synonym: 170.249
has_related_synonym: 2,6-Dimethyl-3,6-oxido-7-octen-2-ol
has_related_synonym: 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol
has_exact_synonym: 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
has_related_synonym: 2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol
has_related_synonym: 2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran
has_related_synonym: 2-Methyl-2-vinyl-5-(2-hydroxy-2-propyl)tetrahydrofuran
has_related_synonym: 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-vinyltetrahydrofuran
has_related_synonym: 5-Ethenyltetrahydro-a,a,5-trimethyl-2-furanmethanol, 9CI
has_related_synonym: 5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol
definition: An oxolane that has formula C10H18O2.
has_related_synonym: BRHDDEIRQPDPMG-UHFFFAOYSA-N
has_related_synonym: C10H18O2
has_related_synonym: C=CC1(C)CCC(C(C)(C)O)O1
database_cross_reference: CAS:60047-17-8
id: CHEBI:88534
has_related_synonym: FEMA 3746
has_related_synonym: Furan linalool oxide
database_cross_reference: HMDB:HMDB35907
has_related_synonym: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
database_cross_reference: KNApSAcK:C00010335
has_related_synonym: Linalool 3,6-oxide
has_related_synonym: Linalool oxide
database_cross_reference: PMID:24023812
has_related_synonym: Tetrahydro-2-methyl-5-(1-hydroxy-1-methylethyl)-2-vinylfuran
has_related_synonym: Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfuran-2-methanol
has_related_synonym: alpha,alpha,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

beta-Guaiene
type: Class
subclass of: sesquiterpene
has_related_synonym: 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene, 9CI
has_exact_synonym: 1,4-dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene
has_related_synonym: 204.352
definition: A sesquiterpene that has formula C15H24.
has_related_synonym: C15H24
database_cross_reference: CAS:88-84-6
has_related_synonym: CC(C)=C1CCC(C)C=2CCC(C)C2C1
id: CHEBI:88873
has_related_synonym: Cis-beta -guainene
has_related_synonym: GIBQERSGRNPMEH-UHFFFAOYSA-N
has_related_synonym: Guaia-1(5),7(11)-diene
has_related_synonym: Guaiene
database_cross_reference: HMDB:HMDB38157
has_related_synonym: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3
database_cross_reference: KNApSAcK:C00020376
database_cross_reference: PMID:24023812
has_related_synonym: b-Guaiene
has_related_synonym: beta -cis-guaiene
has_related_synonym: beta -guainene
has_obo_namespace: chebi_ontology
imported from: chebi.owl

(-)-epicatechin
type: Class
subclass of: catechin
subclass of: polyphenol
subclass of: Restriction
  on property: is enantiomer of
  some values from: (+)-epicatechin
subclass of: Restriction
  on property: has role
  some values from: antioxidant
has_exact_synonym: (-)-Epicatechin
has_exact_synonym: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
has_related_synonym: 290.26810
definition: A catechin with (2R,3R)-configuration.
has_related_synonym: C15H14O6
database_cross_reference: CAS:490-46-0
has_alternative_id: CHEBI:18484
id: CHEBI:90
has_related_synonym: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
database_cross_reference: KEGG:C09727
database_cross_reference: KNApSAcK:C00000956
database_cross_reference: LINCS:LSM-20956
database_cross_reference: LIPID_MAPS_instance:LMPK12020003
database_cross_reference: MetaCyc:CPD-7630
has_related_synonym: PFTAWBLQPZVEMU-UKRRQHHQSA-N
database_cross_reference: PMID:10427682
database_cross_reference: PMID:7655336
database_cross_reference: Reaxys:92760
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Salidroside
type: Class
subclass of: glycoside
has_related_synonym: 300.305
definition: A glycoside that has formula C14H20O7.
has_related_synonym: C14H20O7
database_cross_reference: CAS:10338-51-9
id: CHEBI:9009
has_related_synonym: ILRCGYURZSFMEG-RKQHYHRCSA-N
has_related_synonym: InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
database_cross_reference: KEGG:C06046
has_exact_synonym: Salidroside
has_related_synonym: Tyrosol glucoside
has_obo_namespace: chebi_ontology
has_related_synonym: p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside
imported from: chebi.owl

santamarin
type: Class
subclass of: sesquiterpene lactone
has_related_synonym: (+)-santamarine
has_related_synonym: (3aS)-2,3,3abeta,4,5,5a,6,7,9abeta,9balpha-Decahydro-6alpha-hydroxy-5aalpha,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2-one
has_related_synonym: (3aS,5aR,6R,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydro-3H-naphtho[1,2-b]furan-2-one
has_exact_synonym: (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
has_related_synonym: (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
has_related_synonym: 248.31750
definition: A sesquiterpene lactone of the eudesmanolide group.
has_related_synonym: Balchanin
database_cross_reference: Beilstein:1287299
has_related_synonym: C15H20O3
database_cross_reference: CAS:4290-13-5
has_alternative_id: CHEBI:244416
id: CHEBI:9023
has_related_synonym: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1
database_cross_reference: KEGG:C09544
database_cross_reference: KNApSAcK:C00003363
has_related_synonym: PLSSEPIRACGCBO-PFFFPCNUSA-N
database_cross_reference: PMID:6476889
has_exact_synonym: Santamarin
has_obo_namespace: chebi_ontology
has_exact_synonym: santamarin
has_related_synonym: santamarine
imported from: chebi.owl

EC 6.4.1.1 (pyruvate carboxylase) inhibitor
type: Class
subclass of: EC 6.4.1.* (carboxylase) inhibitor
definition: An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1).
id: CHEBI:90318
has_related_synonym: EC 6.4.1.1 (pyruvate carboxylase) inhibitors
has_related_synonym: EC 6.4.1.1 inhibitor
has_related_synonym: EC 6.4.1.1 inhibitors
database_cross_reference: Wikipedia:Pyruvate_carboxylase
has_obo_namespace: chebi_ontology
has_related_synonym: pyruvate carboxylase (EC 6.4.1.1) inhibitor
has_related_synonym: pyruvate carboxylase (EC 6.4.1.1) inhibitors
has_related_synonym: pyruvate carboxylase inhibitor
has_related_synonym: pyruvate carboxylase inhibitors
has_related_synonym: pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor
has_related_synonym: pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors
has_related_synonym: pyruvic carboxylase inhibitor
has_related_synonym: pyruvic carboxylase inhibitors
imported from: chebi.owl

strychnine(1+)
type: Class
subclass of: indole alkaloid cation
subclass of: Restriction
  on property: is conjugate acid of
  some values from: strychnine
has_exact_synonym: 10-oxostrychnidin-19-ium
has_related_synonym: 335.420
definition: An indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine.
has_related_synonym: C21H23N2O2
id: CHEBI:90700
has_related_synonym: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/p+1/t13-,16-,17-,19-,20-,21+/m0/s1
has_related_synonym: QMGVPVSNSZLJIA-FVWCLLPLSA-O
has_obo_namespace: chebi_ontology
has_related_synonym: strychnine cation
has_related_synonym: strychninium ion
imported from: chebi.owl

retinoic acid receptor modulator
type: Class
subclass of: nuclear receptor modulator
definition: A nuclear receptor modulator that affects the retinoic acid receptor
id: CHEBI:90708
has_obo_namespace: chebi_ontology
has_related_synonym: retinoic acid receptor modulators
imported from: chebi.owl

nuclear receptor modulator
type: Class
subclass of: receptor modulator
definition: Any receptor modulator acting on nuclear receptors
id: CHEBI:90709
has_obo_namespace: chebi_ontology
has_related_synonym: nuclear receptor modulators
imported from: chebi.owl

receptor modulator
type: Class
subclass of: drug
definition: A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
id: CHEBI:90710
has_obo_namespace: chebi_ontology
has_related_synonym: receptor modulators
imported from: chebi.owl

3-oxoacyl-CoA(4-)
type: Class
subclass of: acyl-CoA(4-)
has_related_synonym: 3-oxoacyl-CoA
has_related_synonym: 832.543
definition: An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any 3-oxoacyl-CoA; major species at pH 7.3.
has_related_synonym: C24H33N7O18P3SR
id: CHEBI:90726
has_obo_namespace: chebi_ontology
imported from: chebi.owl

aromatic carboxylate
type: Class
subclass of: carboxylic acid anion
subclass of: Restriction
  on property: is conjugate base of
  some values from: aromatic carboxylic acid
has_related_synonym: *C([O-])=O
has_related_synonym: 44.010
definition: A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3.
id: CHEBI:91007
has_related_synonym: CO2R
has_related_synonym: an aromatic carboxylate
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Sinomenine
type: Class
subclass of: morphinane alkaloid
has_related_synonym: 329.391
definition: A morphinane alkaloid that has formula C19H23NO4.
has_related_synonym: C19H23NO4
database_cross_reference: CAS:115-53-7
id: CHEBI:9163
has_related_synonym: INYYVPJSBIVGPH-QHRIQVFBSA-N
has_related_synonym: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
database_cross_reference: KEGG:C09643
database_cross_reference: KNApSAcK:C00001918
database_cross_reference: LINCS:LSM-24940
has_exact_synonym: Sinomenine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

octadeca-9,12-dienoic acid
type: Class
subclass of: lipid
has_related_synonym: 280.446
definition: A lipid that has formula C18H32O2.
has_related_synonym: C18H32O2
has_related_synonym: CCCCCC=CCC=CCCCCCCCC(=O)O
id: CHEBI:92157
has_related_synonym: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)
database_cross_reference: LINCS:LSM-2181
has_related_synonym: OYHQOLUKZRVURQ-UHFFFAOYSA-N
has_obo_namespace: chebi_ontology
imported from: chebi.owl

syringin
type: Class
subclass of: primary alcohol
subclass of: beta-D-glucoside
subclass of: dimethoxybenzene
subclass of: monosaccharide derivative
subclass of: Restriction
  on property: has role
  some values from: hepatoprotective agent
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: has functional parent
  some values from: trans-sinapyl alcohol
has_related_synonym: 372.36706
has_exact_synonym: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside
definition: A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage.
database_cross_reference: Beilstein:97166
has_related_synonym: C17H24O9
database_cross_reference: CAS:118-34-3
database_cross_reference: CAS:138-87-4
id: CHEBI:9380
has_related_synonym: Eleutheroside B
has_related_synonym: InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
database_cross_reference: KEGG:C01533
database_cross_reference: KEGG:C17517
database_cross_reference: KNApSAcK:C00000010
database_cross_reference: KNApSAcK:C00007328
database_cross_reference: KNApSAcK:C00030167
has_related_synonym: Ligustrin
has_related_synonym: Lilacin
has_related_synonym: MAGNOLENIN A
database_cross_reference: MetaCyc:CPD-63
has_related_synonym: Methoxyconiferine
database_cross_reference: PMID:23620140
database_cross_reference: PMID:23666001
database_cross_reference: PMID:23678812
has_related_synonym: QJVXKWHHAMZTBY-GCPOEHJPSA-N
database_cross_reference: Reaxys:97166
has_related_synonym: Syrigin
has_related_synonym: Syringenin
has_exact_synonym: Syringin
has_related_synonym: Syringoside
database_cross_reference: Wikipedia:Syringin
has_related_synonym: beta-Terpineol
has_obo_namespace: chebi_ontology
imported from: chebi.owl

Talatizamine
type: Class
subclass of: diterpenoid
has_related_synonym: 421.571
definition: A diterpenoid that has formula C24H39NO5.
has_related_synonym: BDCURAWBZJMFIK-FLDLCTCNSA-N
has_related_synonym: C24H39NO5
database_cross_reference: CAS:20501-56-8
id: CHEBI:9392
has_related_synonym: InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23+,24-/m1/s1
database_cross_reference: KEGG:C08713
database_cross_reference: KNApSAcK:C00001669
has_exact_synonym: Talatizamine
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tectorigenin
type: Class
subclass of: methoxyisoflavone
subclass of: 7-hydroxyisoflavones
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has functional parent
  some values from: isoflavone
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: 300.26290
has_related_synonym: 5,7,4'-trihydroxy-6-methoxyisoflavone
has_exact_synonym: 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
definition: A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively.
has_related_synonym: C16H12O6
database_cross_reference: CAS:548-77-6
id: CHEBI:9429
has_related_synonym: COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
database_cross_reference: HMDB:HMDB42024
has_related_synonym: InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
database_cross_reference: KEGG:C10534
database_cross_reference: KNApSAcK:C00002577
database_cross_reference: LIPID_MAPS_instance:LMPK12050385
has_related_synonym: OBBCRPUNCUPUOS-UHFFFAOYSA-N
database_cross_reference: PMID:23461431
database_cross_reference: PMID:24380276
database_cross_reference: PMID:25480515
database_cross_reference: PMID:25856699
database_cross_reference: Reaxys:305601
database_cross_reference: Wikipedia:Tectorigenin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

tripdiolide
type: Class
subclass of: diterpene triepoxide
subclass of: oxacycle
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
has_related_synonym: 376.401
definition: An oxacycle that has formula C20H24O7.
has_related_synonym: C20H24O7
database_cross_reference: CAS:38647-10-8
id: CHEBI:9740
has_related_synonym: InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13-,14-,16+,17-,18-,19+,20+/m0/s1
database_cross_reference: KEGG:C09202
database_cross_reference: KNApSAcK:C00003493
has_related_synonym: PUJWFVBVNFXCHZ-SQEQANQOSA-N
has_exact_synonym: Tripdiolide
has_obo_namespace: chebi_ontology
definition source: https://www.ncbi.nlm.nih.gov/pubmed/17399748
definition source: https://www.ncbi.nlm.nih.gov/pubmed/5072337
comment: Oliver He and Jiahao Wang on 4/18/2017: Triptolide was not classified by ChEBI as diterpene triepoxide as it should be (Ref: https://www.ncbi.nlm.nih.gov/pubmed/5072337). Therefore, we modified the definition here.
imported from: chebi.owl

triptolide
type: Class
subclass of: diterpene triepoxide
subclass of: oxacycle
subclass of: Restriction
  on property: has role
  some values from: anti-inflammatory agent
subclass of: Restriction
  on property: has role
  some values from: antineoplastic agent
has_related_synonym: 360.402
definition: An oxacycle that has formula C20H24O6.
has_related_synonym: C20H24O6
database_cross_reference: CAS:38748-32-2
id: CHEBI:9747
has_related_synonym: DFBIRQPKNDILPW-CIVMWXNOSA-N
has_related_synonym: InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
database_cross_reference: KEGG:C09204
database_cross_reference: KNApSAcK:C00003494
database_cross_reference: LINCS:LSM-5518
has_exact_synonym: Triptolide
has_obo_namespace: chebi_ontology
definition source: https://www.ncbi.nlm.nih.gov/pubmed/26447544
definition source: https://www.ncbi.nlm.nih.gov/pubmed/17097618
comment: Oliver He and Jiahao Wang on 4/18/2017: Triptolide was not classified by ChEBI as diterpene triepoxide as it should be (Ref: https://www.ncbi.nlm.nih.gov/pubmed/17097618). Therefore, we modified the definition here.
definition source: https://www.ncbi.nlm.nih.gov/pubmed/6461212
imported from: chebi.owl

Tutin
type: Class
subclass of: gamma-lactone
has_related_synonym: 294.300
definition: A gamma-lactone that has formula C15H18O6.
has_related_synonym: C15H18O6
database_cross_reference: CAS:2571-22-4
has_related_synonym: CCAZWUJBLXKBAY-ULZPOIKGSA-N
id: CHEBI:9783
has_related_synonym: InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1
database_cross_reference: KEGG:C09570
database_cross_reference: KNApSAcK:C00003381
has_exact_synonym: Tutin
has_obo_namespace: chebi_ontology
imported from: chebi.owl

ursolic acid
type: Class
subclass of: pentacyclic triterpenoid
subclass of: hydroxy monocarboxylic acid
subclass of: Restriction
  on property: has parent hydride
  some values from: ursane
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
has_related_synonym: (3beta)-3-hydroxyurs-12-en-28-oic acid
has_exact_synonym: 3beta-hydroxyurs-12-en-28-oic acid
has_related_synonym: 456.70030
definition: A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3.
database_cross_reference: Beilstein:2228563
has_related_synonym: C30H48O3
database_cross_reference: CAS:77-52-1
id: CHEBI:9908
has_related_synonym: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
database_cross_reference: KEGG:C08988
database_cross_reference: KNApSAcK:C00003558
database_cross_reference: PMID:17516089
database_cross_reference: Reaxys:2228563
has_exact_synonym: Ursolic acid
has_related_synonym: WCGUUGGRBIKTOS-GPOJBZKASA-N
has_obo_namespace: chebi_ontology
has_related_synonym: malol
has_related_synonym: prunol
has_related_synonym: urson
imported from: chebi.owl

(R)-(+)-verbenone
type: Class
subclass of: terpenoid
subclass of: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
subclass of: Restriction
  on property: has role
  some values from: plant metabolite
subclass of: Restriction
  on property: is enantiomer of
  some values from: (S)-(-)-verbenone
has_related_synonym: (+)-verbenone
has_related_synonym: (1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
has_related_synonym: (1R,5R)-(+)-2-pinen-4-one
has_related_synonym: (1R,5R)-(+)-pin-2-en-4-one
has_related_synonym: (1R,5R)-2-pinen-4-one
has_exact_synonym: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
has_related_synonym: (1R,5R)-pin-2-en-4-one
has_related_synonym: (1R-cis)-4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-one
has_related_synonym: 150.21760
definition: A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have R configuration. It is a component of Spanish verbena oil, from Verbena triphylla.
has_related_synonym: C10H14O
database_cross_reference: CAS:18309-32-5
has_related_synonym: CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
id: CHEBI:9955
has_related_synonym: DCSCXTJOXBUFGB-SFYZADRCSA-N
has_related_synonym: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
database_cross_reference: KEGG:C09913
database_cross_reference: PMID:24339334
database_cross_reference: Patent:US2911442
database_cross_reference: Reaxys:2042766
has_related_synonym: Verbenone
database_cross_reference: Wikipedia:Verbenone
has_obo_namespace: chebi_ontology
has_related_synonym: d-verbenone
imported from: chebi.owl

clinical drug role
type: Class
subclass of: role
term editor: William Hogan
creator: William Hogan
definition: the role of a material entity to prevent, diagnose, treat, or study disease and/or its effects
imported from: dron.owl

drug product
type: Class
equivalent class: Class
  intersection of: material entity
  intersection of: Restriction
    on property: is_bearer_of
    some values from: clinical drug role
  intersection of: Restriction
    on property: has_proper_part
    some values from: Class
      intersection of: scattered molecular aggregate
      intersection of: Restriction
        on property: is_bearer_of
        some values from: active ingredient
subclass of: material entity
creator: William Hogan
term editor: William Hogan
definition: a material entity (1) containing at least one scattered molecular aggregate as part that is the bearer of an active ingredient role and (2) that is itself the bearer of a clinical drug role
imported from: dron.owl

active ingredient
type: Class
subclass of: role of scattered molecular aggregate
subclass of: Restriction
  on property: realized in
  all values from: Class
    intersection of: process
    intersection of: Restriction
      on property: has part
      some values from: drug administration
    intersection of: Restriction
      on property: has part
      some values from: Class
        intersection of: process
        intersection of: Restriction
term editor: William R. Hogan
definition: a role of a scattered molecular aggregate that is part of a drug product that is realized by (1) administration of the drug to an organism followed by (2) some change in the structure or functioning of some part of the organism
editor preferred term: active ingredient role
imported from: dron.owl

role of scattered molecular aggregate
type: Class
equivalent class: Class
  intersection of: role
  intersection of: Restriction
    on property: inheres in
    some values from: scattered molecular aggregate
subclass of: role
term editor: William R. Hogan
definition: a role borne by a scattered molecular aggregate and realized by its grains participating in one or more processes
editor preferred term: role of a scattered molecular aggregate
imported from: dron.owl

drug administration
type: Class
subclass of: treatment
subclass of: Class
  intersection of: treatment
  intersection of: Restriction
    on property: has participant
    some values from: drug product
  intersection of: Restriction
    on property: has participant
    some values from: organism
term editor: William R. Hogan
definition: a treatment that has as participants an extended organism and a drug product and that results in part of the drug product being located in the extended organism
editor preferred term: administration of a drug product to an organism
imported from: dron.owl

data item
type: Class
subclass of: information content entity
imported from: dron.owl

information content entity
type: Class
subclass of: generically dependent continuant
imported from: dron.owl

curation status specification
type: Class
equivalent class: Class
  one of: IAO_0000122
  one of: IAO_0000123
  one of: IAO_0000002
  one of: IAO_0000124
  one of: IAO_0000125
  one of: IAO_0000120
  one of: IAO_0000121
  one of: IAO_0000428
  one of: IAO_0000423
subclass of: data about an ontology part
editor note: Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting)
definition source: GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
definition source: OBI_0000266
term editor: PERSON:Bill Bug
definition: The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value.
editor preferred term: curation status specification
has curation status: IAO_0000125
imported from: dron.owl

data about an ontology part
type: Class
subclass of: data item
term editor: Person:Alan Ruttenberg
definition: data about an ontology part is a data item about a part of an ontology, for example a term
imported from: dron.owl

Tripterygium
type: Class
subclass of: fabids
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon genus
imported from: ncbitaxon.owl

cellular organisms
type: Class
subclass of: material entity
has db xref: GC_ID:1
has related synonym: biota
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Boreoeutheria
type: Class
subclass of: Amniota
has related synonym: Boreotheria
has db xref: GC_ID:1
has db xref: PMID:11743200
has db xref: PMID:11791233
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Mesangiospermae
type: Class
subclass of: Eukaryota
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Pentapetalae
type: Class
subclass of: eudicotyledons
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Menispermoideae
type: Class
subclass of: Ranunculales
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon subfamily
imported from: ncbitaxon.owl

Ranunculoideae
type: Class
subclass of: Ranunculales
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon subfamily
imported from: ncbitaxon.owl

Sinomenium acutum
type: Class
subclass of: Menispermoideae
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Aristolochia mollissima
type: Class
subclass of: Piperales
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has exact synonym: xun gu feng
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Piperales
type: Class
subclass of: Mesangiospermae
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon order
imported from: ncbitaxon.owl

Sigesbeckia
type: Class
subclass of: campanulids
has db xref: GC_ID:1
has alternative id: NCBITaxon:185188
has related synonym: Siegesbeckia
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon genus
imported from: ncbitaxon.owl

Tripterygium hypoglaucum
type: Class
subclass of: Tripterygium
has db xref: GC_ID:1
has related synonym: Tripterygium hypoglaucu
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Taxillus sutchuenensis
type: Class
subclass of: Pentapetalae
has db xref: GC_ID:1
has related synonym: Taxillus sutchuenensis (Lecomte) Danser
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Vincetoxicum pycnostelma
type: Class
subclass of: Apocynaceae
has related synonym: Asclepias paniculata
has related synonym: Cynanchum paniculatum
has db xref: GC_ID:1
has alternative id: NCBITaxon:714464
has related synonym: Pycnostelma paniculatum
has related synonym: Vincetoxicum paniculatum (Bunge) Kitag., non. (R.Br.) Kuntze, 1891
has related synonym: Vincetoxicum paniculatum, nom. illeg.
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Eleutherococcus gracilistylus
type: Class
subclass of: Apiineae
has related synonym: Acanthopanax gracilistylus
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Eukaryota
type: Class
subclass of: cellular organisms
has related synonym: Eucarya
has related synonym: Eucaryotae
has related synonym: Eukarya
has related synonym: Eukaryotae
has db xref: GC_ID:1
has db xref: PMID:23020233
has exact synonym: eucaryotes
has exact synonym: eukaryotes
has related synonym: eukaryotes
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon superkingdom
imported from: ncbitaxon.owl

Strychnos nux-vomica
type: Class
subclass of: Gentianales
has db xref: GC_ID:1
has related synonym: Strychnos nux-vomica L.
has related synonym: Strychnos nuxvomica
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Amniota
type: Class
subclass of: Bilateria
has db xref: GC_ID:1
has exact synonym: amniotes
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Bilateria
type: Class
subclass of: Eukaryota
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Morus alba
type: Class
subclass of: Rosales
has db xref: GC_ID:1
has related synonym: Morus sinensis
has OBO namespace: ncbi_taxonomy
has exact synonym: white mulberry
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Paeonia lactiflora
type: Class
subclass of: Pentapetalae
has exact synonym: Chinese peony
has db xref: GC_ID:1
has alternative id: NCBITaxon:65562
has related synonym: Paeonia albiflora
has exact synonym: common garden peony
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Apiineae
type: Class
subclass of: campanulids
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon suborder
imported from: ncbitaxon.owl

Chaenomeles
type: Class
subclass of: Rosales
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon genus
imported from: ncbitaxon.owl

Rosales
type: Class
subclass of: fabids
has db xref: GC_ID:1
has alternative id: NCBITaxon:3473
has alternative id: NCBITaxon:3601
has alternative id: NCBITaxon:4266
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon order
imported from: ncbitaxon.owl

Erythrina variegata
type: Class
subclass of: fabids
has related synonym: Erythrina indica
has db xref: GC_ID:1
has exact synonym: Indian coral tree
has exact synonym: ci tong
has exact synonym: dabdab
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Gentianales
type: Class
subclass of: lamiids
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon order
imported from: ncbitaxon.owl

Apocynaceae
type: Class
subclass of: Gentianales
has db xref: GC_ID:1
has alternative id: NCBITaxon:4064
has exact synonym: dogbane family
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon family
imported from: ncbitaxon.owl

Heracleum
type: Class
subclass of: Apiineae
has db xref: GC_ID:1
has exact synonym: cow parsnips
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon genus
imported from: ncbitaxon.owl

Ranunculales
type: Class
subclass of: eudicotyledons
has db xref: GC_ID:1
has alternative id: NCBITaxon:3439
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon order
imported from: ncbitaxon.owl

Stephania tetrandra
type: Class
subclass of: Menispermoideae
has db xref: GC_ID:1
has related synonym: Stephania tetrandra S.Moore
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Pistacia terebinthus
type: Class
subclass of: rosids
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has exact synonym: terebinth
has exact synonym: turpentine-tree
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Piper wallichii
type: Class
subclass of: Piperales
has db xref: GC_ID:1
has related synonym: Piper wallichii (Miq.) Hand.-Mazz.
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Tripterygium wilfordii
type: Class
subclass of: Tripterygium
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Gentiana macrophylla
type: Class
subclass of: Gentianales
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Clerodendrum trichotomum
type: Class
subclass of: lamiids
has related synonym: Clerodendron trichotomum
has related synonym: Clerodendrum trichotonum
has db xref: GC_ID:1
has alternative id: NCBITaxon:488980
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Trachelospermum jasminoides
type: Class
subclass of: Apocynaceae
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Bombyx mori
type: Class
subclass of: Bilateria
has db xref: GC_ID:1
has exact synonym: domestic silkworm
has OBO namespace: ncbi_taxonomy
has exact synonym: silk moth
has exact synonym: silkworm
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

eudicotyledons
type: Class
subclass of: Mesangiospermae
has related synonym: Dicotyledoneae
has db xref: GC_ID:1
has related synonym: Magnoliopsida
has alternative id: NCBITaxon:3399
has related synonym: dicots
has related synonym: dicotyledons
has related synonym: eudicots
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

asterids
type: Class
subclass of: Pentapetalae
has exact synonym: Asteridae
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon subclass
imported from: ncbitaxon.owl

rosids
type: Class
subclass of: Pentapetalae
has db xref: GC_ID:1
has related synonym: Rosidae
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon subclass
imported from: ncbitaxon.owl

Homalomena occulta
type: Class
subclass of: Mesangiospermae
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Clematis chinensis
type: Class
subclass of: Ranunculoideae
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Aconitum carmichaelii
type: Class
subclass of: Ranunculoideae
has related synonym: Aconitum carmichaeli
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Ptyas dhumnades
type: Class
subclass of: Amniota
has related synonym: Coluber dhumnades
has db xref: GC_ID:1
has alternative id: NCBITaxon:8588
has related synonym: Zaocys dhumnades
has related synonym: Zaocys dhumnades dhumnades
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

fabids
type: Class
subclass of: rosids
has db xref: GC_ID:1
has alternative id: NCBITaxon:41939
has alternative id: NCBITaxon:4293
has related synonym: eurosids I
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

campanulids
type: Class
subclass of: asterids
has db xref: GC_ID:1
has alternative id: NCBITaxon:41940
has alternative id: NCBITaxon:4379
has related synonym: euasterids II
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

lamiids
type: Class
subclass of: asterids
has db xref: GC_ID:1
has alternative id: NCBITaxon:41935
has related synonym: euasterids I
has OBO namespace: ncbi_taxonomy
imported from: ncbitaxon.owl

Homo sapiens
type: Class
subclass of: Boreoeutheria
has db xref: GC_ID:1
has exact synonym: human
has related synonym: humans
has exact synonym: man
has OBO namespace: ncbi_taxonomy
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

Panthera tigris
type: Class
subclass of: Boreoeutheria
has db xref: GC_ID:1
has OBO namespace: ncbi_taxonomy
has exact synonym: tiger
has_rank: NCBITaxon species
imported from: ncbitaxon.owl

adverse event
type: Class
subclass of: pathological bodily process
subclass of: Restriction
  on property: preceded_by
  some values from: medical intervention
editor note: Melanie Courtot and YH: More work is needed on how to restrict the scope of a term to be an 'adverse event', notably regarding temporal association. When is an appropirate time interval between a medical intervention and an adverse event observed? One week, one month, one year, or a lifetime? For some well-studied medical interventions (e.g., administration of many vaccines or drugs), we probably have a general idea. For many new interventions, we don't know much. In OAE, this issue is associated with defining the 'adverse event incubation time'.
alternative term: AE
editor note: YH: There has been discussion regarding whether the term 'side effect' is an alternative term for 'adverse event'. In AERO, the term 'AERO:adverse event' represents a subset of those adverse events for which causality has been established. In OAE, an adverse event for which causality has been established is called 'causal adverse event'.
definition: a pathological bodily process that occurs after a medical intervention. An adverse event is likely caused by the medical intervention; however, such a causal association is not required to be an adverse event.
editor note: YH: The main scope of OAE includes: (1) represent terms and relations in the area of adverse events, (2) assess possible associations between an adverse event and a medical intervention, particularly, identify any causal effect of a medical intervention to an adverse event; and (2) understand the mechanism (including molecular mechanisms) of causal adverse events.
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmed/25093068
comment: The OAE official website is: http://www.oae-ontology.org/.
definition source: WEB: http://www.fda.gov/Safety/MedWatch/HowToReport/ucm053087.htm
alternative term: adverse reaction
editor note: YH: An adverse event is a process that has specified output of some adverse medical outcome (e.g., symptom, sign or accident) after a medical intervention (or process) (e.g., administration of drug or vaccine). The medical intervention can be an administration of a drug, a vaccine (i.e., vaccination), or a special nutritional product (for example, dietary supplement, infant formula, medical food), surgery, or usage of a medical device.
definition source: WEB: http://en.wikipedia.org/wiki/Adverse_event
editor note: YH: An adverse event is possibly induced by the medical intervention. It can be caused by the medical intervention, or may not be caused by the medical intervention. One ultimate goal (or the goal in clinics) of study adverse events is to assess if the adverse event outcome is due to the medical intervention.
term editor: Yongqun He
imported from: oae.owl

medical intervention
type: Class
subclass of: planned process
definition: medical intervention is a planned process that has the goal of diagnosing, preventing or relieving illness or injury.
term editor: YH
definition source: WEB: http://wiki.answers.com/Q/What_is_medical_intervention
imported from: oae.owl

flushing AE
type: Class
subclass of: skin discoloration AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10016825
definition: a skin discoloration AE which has an outcome of flushing, a sudden reddening of the face, neck, or upper chest
term editor: SS, YH
see also: HPO: HP_0001033
see also: SIDER: C0016382
Chinese translation: 脸红
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003241.htm
imported from: oae.owl

musculoskeletal or connective tissue AE
type: Class
subclass of: adverse event
has_meddra_id: 10028395
definition: an adverse event that has an outcome of abnormal sign in a musculoskeletal or connective tissue.
term editor: YH, RR, JX
definition source: WEB: http://www.cdc.gov/niosh/programs/msd/
alternative term: musculoskeletal and connective tissue disorder AE
comment: A musculoskeletal disorder is an injury or disorder of the muscles, nerves, tendons, joints, cartilage, or supporting structures of the upper or lower limbs, neck, or lower back that are caused, precipitated, or exacerbated by sudden exertion or prolonged exposure to physical factors such as repetition, force, vibration, or awkward posture
see also: CTCAE: E13872
imported from: oae.owl

injury AE
type: Class
subclass of: injury or procedural complication AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10022116
term editor: SS, YH
definition: an injury and procedural complication AE which has an outcome of injury
imported from: oae.owl

systematic AE
type: Class
subclass of: adverse event
definition: an adverse event that occurs systematically throughout the systemic circulation. This is different from local adverse event that is limited or a certain location.
alternative term: systematic adverse event
definition source: URL: https://en.wikipedia.org/wiki/Adverse_drug_reaction
term editor: YH, JX
imported from: oae.owl

discomfort AE
type: Class
subclass of: sensory capability AE
see also: HPO: HP_0010832
definition: a sensory capability AE that resuls in an uncomfortable feeling.
term editor: YH
see also: SIDER: C0234215
imported from: oae.owl

female reproductive system AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000474
subclass of: reproductive system AE
has_meddra_id: 10038604
term editor: YH
definition: a reproductive system AE that occurs on the female side.
imported from: oae.owl

male reproductive system AE
type: Class
subclass of: reproductive system AE
definition: a reproductive system AE that occurs on the male side.
term editor: YH
imported from: oae.owl

cardiac disorder AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000948
subclass of: cardiovascular AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10007541
has_meddra_id: 10061024
see also: HPO: HP_0001627
see also: SIDER: C0018799
definition: a cardiovascular disorder AE that has a cardiac disorder outcome.
term editor: SS, YH
definition source: WEB: Primary Source: http://medical-dictionary.thefreedictionary.com/heart+disease Secondary Source: http://www.ncbi.nlm.nih.gov/pubmed/23091623
imported from: oae.owl

dermatitis AE
type: Class
subclass of: skin AE
has_meddra_id: 10012431
see also: SIDER: C0011603
term editor: SS, YH
see also: HPO: HP_0011123
imported from: oae.owl

intrinsic factor of adverse event
type: Class
subclass of: role
term editor: YH
definition: a role that is intrinsic to a patient and is associated with an adverse event. No causal effect between this factor and the adverse event is assumed. Examples include: age, race, organ dysfunction, disease, pregrancy, lactation, gender, and genetics.
imported from: oae.owl

lactation factor of adverse event
type: Class
subclass of: intrinsic factor of adverse event
term editor: an intrinsic factor of adverse event that is the lactation of a patient.
term editor: YH
imported from: oae.owl

sensory neuropathy AE
type: Class
subclass of: neuropathy AE
definition: a peripheral neuropathy AE which has an outcome of sensory neuropathy that involves damage to nerves of the peripheral nervous system.
alternative term: sensory neuropathy AE
term editor: YH, AG
imported from: oae.owl

tremor AE
type: Class
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002385
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10044565
term editor: SS, YH
see also: SIDER: C0040822
definition source: WEB: http://www.nlm.nih.gov/medlineplus/tremor.html
see also: NCIt: C38038
see also: HPO: HP_0001337
see also: CTCAE: E12837
definition: Tremor AE is a behavior and neurological AE that has an outcome of an involuntary trembling or quivering, and muscle contraction and relaxation.
imported from: oae.owl

circulatory shock AE
type: Class
subclass of: cardiovascular AE
has_meddra_id: 10040560
alternative term: physiological shock AE
Chinese translation: 休克
definition: a cardiovascular disorder AE that is a result of insufficient blood flow throughout the body. Shock often accompanies severe injury or illness.
definition source: WEB: https://www.nlm.nih.gov/medlineplus/ency/article/000039.htm
alternative term: shock
definition source: WEB: http://en.wikipedia.org/wiki/Shock_%28circulatory%29
comment: Circulatory shock is not related to the emotional state of shock.
imported from: oae.owl

hair, skin or nail AE
type: Class
equivalent class: Class
  union of: hair AE
  union of: nail AE
  union of: skin AE
subclass of: adverse event
creator: YH, SS, JX
definition: an adverse event that occurs in hair, skin, or nail.
alternative term: hair, skin, and nail AE
imported from: oae.owl

hair AE
type: Class
subclass of: hair, skin or nail AE
term editor: YH, SS
definition: a hair, skin, and nail AE that occurs in hair.
imported from: oae.owl

nail AE
type: Class
subclass of: hair, skin or nail AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0001705
definition: a hair, skin, and nail AE that occurs in nail.
term editor: YH, SS
imported from: oae.owl

abdominal distension AE
type: Class
subclass of: sensory capability AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000916
has_meddra_id: 10000060
see also: NCIt: C78161
definition: a sensory capability AE that results in a sensation of elevated abdominal pressure and volume
term editor: DJ, SS, YH
see also: HPO: HP_0003270
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0003609/
see also: SIDER: C0000731
see also: CTCAE: E10456
imported from: oae.owl

agranulocytosis AE
type: Class
subclass of: hematopoietic system AE
has_meddra_id: 10001507
see also: HPO: HP_0001913
see also: SIDER: C0001824
definition: a hematopoietic system AE that has an outcome of acute leukopenia, or lowered white blood cell count, most commonly of neutrophils causing neutropenia in circulating blood
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/001295.htm
Chinese translation: 粒性白血球缺乏症
term editor: JX, DJ, SS, YH
imported from: oae.owl

amenorrhoea AE
type: Class
subclass of: female reproductive system AE
has_meddra_id: 10001928
see also: HPO: HP_0000141
term editor: DJ, SS, YH
see also: SIDER: C0002453
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmed/21942684
definition: a female reproductive system AE that is characterized by the absence of menstrual period in a woman of reproductive age
imported from: oae.owl

aplastic anaemia AE
type: Class
subclass of: anemia AE
has_meddra_id: 10002967
Chinese translation: 再生障碍性贫血
alternative term: aplastic anemia
term editor: DJ, SS, JX, YH
definition: Aplastic anaemia AE is an anemia AE that occurs when the bone marrow, and the blood stem cells that reside there are damaged. This causes a deficiency of all three blood cell types (pancytopenia): red blood cells (anemia), white blood cells (leukopenia), and platelets (thrombocytopenia).
see also: SIDER: C0002874
see also: HPO: HP_0001915
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmed/23292240
imported from: oae.owl

balance disorder AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10049848
definition: a behavior and neurological AE that has an outcome of a disturbance that causes an individual to feel unsteady, giddy, woozy, or have a sensation of movement, spinning, or floating.
see also: HPO: HP_0002141
term editor: SS, YH
see also: SIDER: C0575090
definition source: WEB: http://en.wikipedia.org/wiki/Balance_disorder
imported from: oae.owl

convulsion AE
type: Class
subclass of: muscle AE
has_meddra_id: 10010904
definition: convulsion AE is a muscle adverse event that results in a medical condition where body muscles contract and relax rapidly and repeatedly, resulting in an uncontrolled shaking of the body
see also: HPO: HP_0001250
definition source: WEB: http://en.wikipedia.org/wiki/Convulsion
see also: SIDER: C0009951
term editor: SS, YH
imported from: oae.owl

difficulty in walking AE
type: Class
subclass of: movement disorder AE
term editor: SS, YH
comment: a movement disorder AE that has an outcome of difficulty in walking properly
imported from: oae.owl

dyspnea AE
type: Class
subclass of: abnormal respiration AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10013963
has_meddra_id: 10013968
term editor: SS, YH
definition source: WEB: http://en.wikipedia.org/wiki/Dyspnoea
see also: HPO: HP_0002094
see also: UMLS CUI: C0013404
editor note: MedDRA: 10013968 is for "dyspnoea"; MedDRA: 10013963 is for "dyspnea".
see also: NCIt: C2998
see also: SIDER: C0013404
Chinese translation: 呼吸困难
see also: CTCAE: E13368
definition: dyspnoea AE is an abnormal respiration AE debilitating symptom that is the experience of unpleasant or uncomfortable respiratory sensations, shortness of breath, air hunger
alternative term: dyspnoea AE
imported from: oae.owl

conduction system disorder AE
type: Class
subclass of: cardiac disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10000032
has_meddra_id: 10010276
definition: a cardiac disorder AE of the electrical conduction system that controls the heart rate, generates and conducts electrical impulses throughout the muscle of the heart, stimulating the heart to contract and pump blood.
alternative term: conduction disorder AE
see also: NCIt: C78245
see also: CTCAE: E10114
definition source: WEB: http://www.medterms.com/script/main/art.asp?articlekey=8407
term editor: SS
alternative term: cardiac conduction disorder AE
imported from: oae.owl

kidney AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002113
subclass of: urinary system AE
has_meddra_id: 10038428
term editor: SS, YH
definition: an adverse event that occurs in kidney.
imported from: oae.owl

muscular weakness AE
type: Class
subclass of: muscle AE
has_meddra_id: 10028372
see also: HPO: HP_0001324
definition: a muscle AE that has an outcome of muscular weakness AE (i.e., lack of muscle strength).
term editor: SS, YH
see also: SIDER: C0151786
definition source: WEB: http://en.wikipedia.org/wiki/Muscular_weakness
imported from: oae.owl

rhinitis AE
type: Class
subclass of: respiratory system inflammation AE
has_meddra_id: 10028116
alternative term: runny nose
definition source: WEB: http://en.wikipedia.org/wiki/Rhinitis
see also: SIDER: C0035455
definition source: WEB: http://medical-dictionary.thefreedictionary.com/rhinitis
see also: HPO: HP_0002257
term editor: SS, YH
definition: rhinitis AE is a respiratory system inflammation characterized by runny nose,irritation and inflammation of some internal areas of the nose
imported from: oae.owl

fever AE
type: Class
subclass of: abnormal body temperature AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10005911
has_meddra_id: 10016558
has_meddra_id: 10037660
definition source: Axelrod YK1, Diringer MN. Temperature management in acute neurologic disorders. Neurol Clin. 2008 May;26(2):585-603, xi. doi: 10.1016/j.ncl.2008.02.005. PMID: 18514828.
term editor: YH, SS, MW
definition source: WEB: http://en.wikipedia.org/wiki/Pyrexia
alternative term: febrile response
definition: an abnormal body temperature AE which has an outcome of fever
see also: CTCAE: E11102
alternative term: body temperature increased AE
alternative term: pyrexia AE
see also: NCIt: C3038
comment: Fever is a frequent medical sign that describes an increase in internal body temperature to levels above normal. Fever is characterized as a temporary elevation in the body's thermoregulatory set-point, usually by about 1-2 °F).
imported from: oae.owl

rash AE
type: Class
subclass of: skin AE
has_meddra_id: 10037844
term editor: YH
see also: SIDER: C0015230
definition source: URL: http://en.wikipedia.org/wiki/Rash
comment: Drug-induced rash is the most commonly reported drug reaction.
definition source: URL: http://www.webmd.com/skin-problems-and-treatments/guide/common-rashes
definition source: Wick JY. Drug-induced rash: nuisance or threat? Consult Pharm. 2013 Mar;28(3):160-6. PMID: 23462025.
definition: a skin AE that shows the symptom of rash, i.e., an abnormal change in skin color, appearance, or texture. A rash may cause the skin to change color, itch, become warm, bumpy, dry, cracked or blistered, swell and may be painful.
see also: HPO: HP_0000988
imported from: oae.owl

infection AE
type: Class
subclass of: adverse event
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10021789
term editor: YH, JX
editor note: change of name from 'infection adverse event' to 'infectious adverse event' on 09/23/13 for a better clinical relevance, move 'infection adverse event' as an alternative term - SS
definition: an adverse event that has an outcome of a pathogen infection, i.e., an infection caused by a pathogen such as a virus, bacterium, or parasite.
adverse event outcome: infection
alternative term: infectious adverse event
definition source: WEB: http://medical-dictionary.thefreedictionary.com/infection
imported from: oae.owl

syndrome AE
type: Class
subclass of: adverse event
definition: An AE that has an outcome of syndrome. Syndrome is the association of several clinically recognizable features, signs (observed by a physician), symptoms (reported by the patient), phenomena or characteristics that often occur together, so that the presence of one feature alerts the physician to the presence of the others.
term editor: YH
imported from: oae.owl

pruritus AE
type: Class
subclass of: skin AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10037087
see also: SIDER: C0033774
definition source: WEB: http://www.ncbi.nlm.nih.gov/sites/entrez?db=mesh&cmd=DetailsSearch&term=pruritus+generalised&log$=activity
alternative term: itching
term editor: YH, SS, MW
alternative term: pruritus generalised AE
alternative term: itch
comment: Pruritus is an itch (Latin: pruritus), i.e., an unpleasant sensation that evokes the desire or reflex to scratch.
see also: HPO: HP_0000989
definition: a skin adverse event that has an outcome of pruritus
imported from: oae.owl

pain AE
type: Class
subclass of: sensory capability AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10033371
see also: CTCAE: E11167
see also: SIDER: C0030193
see also: HPO: HP_0010833
see also: NCIt: C3303
term editor: YH, MW
definition: a sensory capability AE that has an outcome of pain in a patient
imported from: oae.owl

myalgia AE
type: Class
subclass of: pain AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10028411
see also: SIDER: C0231528
term editor: YH, MW
see also: HPO: HP_0003326
alternative term: muscle pain AE
definition: a pain AE that has outcome of myalgia. Myalgia means "muscle pain" and is a symptom of many diseases and disorders.
imported from: oae.owl

urticaria AE
type: Class
subclass of: rash AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10046735
see also: SIDER: C0042109
definition: Urticaria AE is a rash AE notable for dark red, raised, itchy bumps.
term editor: YH, MW
alternative term: hives
see also: HPO: HP_0001025
imported from: oae.owl

headache AE
type: Class
subclass of: pain AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10019211
see also: CTCAE: E12678
see also: SIDER: C0018681
definition: a pain AE that has an outcome of headache
see also: HPO: HP_0002315
term editor: YH, MW
see also: NCIt: C34661
imported from: oae.owl

respiratory system AE
type: Class
equivalent class: Class
  intersection of: adverse event
  intersection of: Restriction
    on property: occurs in
    some values from: UBERON_0001004
subclass of: adverse event
editor note: I created this term and make it to be an umbrella term for different disorder terms related to respiratory system. --Oliver He
term editor: YH
definition: an AE that occurs in respiratory system.
imported from: oae.owl

leukocyte cell number increased AE
type: Class
subclass of: leukocyte cell number abnormal AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10024378
has_meddra_id: 10047943
see also: CTCAE: E10048
definition source: WEB: http://en.wikipedia.org/wiki/Leukocytosis
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'leukocytosis' is an adverse event that was mentioned in 1,021 VAERS reports (0.8%) during1991-2001 (Reference: PMID: 12825543).
alternative term: white blood cell count increased AE
see also: NCIt: C35524
alternative term: leukocytosis AE
see also: MP: MP_0000218
term editor: SS, YH, EB
definition: a leukocyte cell number abnormal AE that has an outcome of greater than normal number of leukocytes, or nucleated cells of the myeloid or lymphoid lineages, found in blood or other tissue
imported from: oae.owl

abnormal blood pressure AE
type: Class
subclass of: cardiovascular AE
subclass of: Restriction
  on property: is evidence of
  some values from: cardiomyopathy AE
see also: MP: MP_0000230
definition: a cardiovascular disorder AE that has an outcome of abnormal blood pressure, representing altered tension of the blood within the systemic arteries
imported from: oae.owl

dizziness AE
type: Class
subclass of: sensory capability AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10013573
see also: HPO: HP_0002321
term editor: YH, SS, MW
definition: a sensory capability AE that has an outcome of dizziness
comment: Dizziness describes a number of subjective symptoms, which the patient may describe as feelings of lightheadedness, floating, wooziness, giddiness, confusion, disorientation or loss of balance. Medical terms include vertigo, disequilibrium, pre-syncope or syncoptic episode. Causes may stem from a variety of failures of equilibrioception, hypotension, cerebral hypoxia or a reaction to environmental chemicals or drugs.
see also: SIDER: C0012833
imported from: oae.owl

somnolence AE
type: Class
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10041349
see also: HPO: HP_0001262
alternative term: drowsiness
definition: a behavior and neurological AE that has an outcome of somnolence
comment: Somnolence (or "drowsiness") is a state of near-sleep, a strong desire for sleep, or sleeping for unusually long periods (c.f. hypersomnia).
see also: SIDER: C2830004
term editor: YH, SS, MW
imported from: oae.owl

paresthesia AE
type: Class
subclass of: sensory neuropathy AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10033775
has_meddra_id: 10033987
definition: a sensory neuropathy AE that shows a sensation of tingling, pricking, or numbness of a person's skin with no apparent long-term physical effect.
see also: CTCAE: E12758
comment: Paresthesia is more generally known as the feeling of "pins and needles" or of a limb being "asleep" (although this is not directly related to the phenomenon of sleep). The manifestation of paresthesia may be transient or chronic.
term editor: YH, MW
alternative term: paraesthesia AE
definition source: WEB: http://en.wikipedia.org/wiki/Paraesthesia
see also: NCIt: C28177
imported from: oae.owl

anorexia AE
type: Class
subclass of: gustatory system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10002646
has_meddra_id: 10002649
has_meddra_id: 10061428
alternative term: decreased appetite AE
term editor: YH, MW
see also: NCIt: C2875
see also: HPO: HP_0002039
definition: a gustatory system AE which demonstrates a decreased sensation of appetite.
definition source: WEB: http://www.mayoclinic.org/diseases-conditions/anorexia/basics/definition/con-20033002
alternative term: anorexia nervosa AE
see also: CTCAE: E12252
see also: SIDER: C0003123
Chinese translation: 厌食症
imported from: oae.owl

cough AE
type: Class
subclass of: abnormal respiration AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10011224
definition source: WEB: http://medical-dictionary.thefreedictionary.com/cough
term editor: YH, SS, MW
alternative term: coughing AE
adverse event outcome: cough
definition source: WEB: http://www.nlm.nih.gov/medlineplus/cough.html
definition: an abnormal respiration AE that shows a sudden and often repetitively occurring reflex to keep the throat and airways clear
imported from: oae.owl

sweating AE
type: Class
subclass of: skin AE
term editor: YH
definition: a skin adverse event that has an outcome of sweating
see also: SIDER: C0038990
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'sweating' is an adverse event that was mentioned in 2,301 VAERS reports (1.8%) during1991-2001 (Reference: PMID: 12825543).
see also: HPO: HP_0000975
imported from: oae.owl

abdominal pain AE
type: Class
subclass of: pain AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000916
has_meddra_id: 10000081
definition source: WEB: http://en.wikipedia.org/wiki/Abdominal_pain
see also: HPO: HP_0002027
see also: SIDER: C0000737
term editor: YH, SS
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'abdominal pain' is an adverse event that was mentioned in 2,254 VAERS reports (1.8%) during1991-2001 (Reference: PMID: 12825543).
comment: a pain AE that is observed in abdominal cavity
imported from: oae.owl

hypertension AE
type: Class
subclass of: abnormal blood pressure AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10005750
has_meddra_id: 10020772
see also: CTCAE: E13785
see also: NCIt: C3117
see also: HPO: HP_0000822
alternative term: blood pressure increased
see also: SIDER: C0020538
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmed/21722707
term editor: YH, SS, MW
definition: an abnormal blood pressure AE that has an outcome of sustained high blood pressure at a level that is likely to result in cardiovascular disease and/or other pathological states
see also: MP: MP_0000231
imported from: oae.owl

asthma AE
type: Class
subclass of: respiratory system AE
has_meddra_id: 10003553
Chinese translation: 哮喘
comment: Asthma is a common chronic lung disease. It has been defined by the National Heart, Lung and Blood Institute as a common chronic disorder of the airways that is complex and characterized by variable and recurring symptoms, airflow obstruction, bronchial hyperresponsiveness (bronchospasm), and an underlying inflammation.
see also: HPO: HP_0002099
term editor: YH
definition: a respiratory system AE which has an outcome of asthma
see also: SIDER: C0004096
imported from: oae.owl

back pain AE
type: Class
subclass of: pain AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10003988
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'back pain' was mentioned in 1,277 VAERS reports (1.0%) during1991-2001 (Reference: PMID: 12825543).
term editor: YH, MW
see also: HPO: HP_0003418
definition: a pain AE that has an outcome of back pain
see also: SIDER: C0004604
imported from: oae.owl

gastrointestinal hemorrhage AE
type: Class
subclass of: hemorrhage AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0001007
has_meddra_id: 10017955
see also: MP: MP_0000465
definition: a hemorrhage AE that has an outcome of gastrointestinal hemorrhage
alternative term: gastrointestinal haemorrhage AE
definition source: WEB: http://medical-dictionary.thefreedictionary.com/gastrointestinal+hemorrhage
comment: bleeding in the stomach and/or the intestines
imported from: oae.owl

neuropathy AE
type: Class
subclass of: nervous system AE
definition source: WEB: http://www.neuropathy.org/
see also: SIDER: C0442874
definition: a nervous system AE that shows a damage to or disease affecting the nerves.
Chinese translation: 神经病变
definition source: WEB: http://www.medicalnewstoday.com/articles/147963.php
term editor: YH, RR
definition source: WEB: http://www.emedicinehealth.com/neuropathy/article_em.htm#types_of_neuropathy
definition source: WEB: http://www.emedicinehealth.com/neuropathy/article_em.htm
editor note: Neuropathy is often classified according to the types or location of nerves that are affected. Neuropathy can also be classified according to the disease causing it. (For example, neuropathy from the effects of diabetes is called diabetic neuropathy. Ref: http://www.emedicinehealth.com/neuropathy/article_em.htm#types_of_neuropathy.
see also: HPO: HP_0007141
imported from: oae.owl

skin discoloration AE
type: Class
subclass of: skin AE
has_meddra_id: 10040829
definition: skin discoloration AE is a skin adverse event that results in change in color of skin or mucus membranes
alternative term: skin discolouration AE
term editor: YH, SS
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'skin discoloration' is an adverse event that was mentioned in 909 VAERS reports (0.7%) during1991-2001 (Reference: PMID: 12825543).
imported from: oae.owl

speech disorder AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10041466
term editor: YH
definition: a behavior and neurological AE that has an outcome of disorder in speech
see also: SIDER: C0037822
see also: HPO: HP_0006977
imported from: oae.owl

hemorrhage AE
type: Class
subclass of: cardiovascular AE
has_meddra_id: 10055798
definition source: WEB: http://medical-dictionary.thefreedictionary.com/hemorrhage
alternative term: haemorrhage AE
alternative term: bleeding AE
see also: MP: MP_0001914
definition: a cardiovascular disorder AE that has an outcome of hemorrhage
comment: loss of blood from the vascular compartment to the exterior or into nonvascular body space as a result of rupture or severance of the blood vessels
imported from: oae.owl

nausea and vomiting AE
type: Class
subclass of: abnormal digestion AE
term editor: YH
editor note: This term will most likely removed since it is just a combination of nausea and vomiting.
definition: an abnormal digestion AE which has an outcome of nausea and vomiting
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'nausea and vomiting' is an adverse event that was mentioned in 812 VAERS reports (0.6%) during1991-2001 (Reference: PMID: 12825543).
imported from: oae.owl

muscle AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002385
subclass of: musculoskeletal or connective tissue AE
definition: a musculoskeletal system AE that occurs in muscle.
term editor: YH
imported from: oae.owl

hepatobiliary or pancreatic AE
type: Class
subclass of: adverse event
term editor: YH, JX
definition: an adverse event that occurs in liver, biliary, and pancreatic areas.
definition source: URL: http://www.ijhpd.com/
definition source: WEB: http://www.uchospitals.edu/online-library/content=P00670
alternative term: liver, biliary, and pancreatic disorder AE
imported from: oae.owl

digestive system AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0001007
subclass of: adverse event
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0001007
term editor: YH
definition: an AE that occurs in digestive system.
imported from: oae.owl

facial paralysis AE
type: Class
subclass of: paralysis AE
see also: SIDER: C0015469
see also: HPO: HP_0007209
definition: a paralysis AE that has an outcome of paralysis in face
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'facial paralysis' was mentioned in 580 VAERS reports (0.5%) during1991-2001 (Reference: PMID: 12825543).
term editor: YH
imported from: oae.owl

eye AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000970
subclass of: adverse event
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
has_meddra_id: 10015916
term editor: YH
definition: an AE that occurs in eye.
alternative term: eye disorder AE
see also: HPO: HP_0000496
see also: SIDER: C0015397
imported from: oae.owl

erythema multiforme AE
type: Class
subclass of: rash AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10015218
definition: a rash AE which shows red, target-shaped or "bulls-eye" patches or sores on the skin.
definition source: WEB: https://en.wikipedia.org/wiki/Erythema_multiforme
comment: The erythema multiforme rash usually begins on the arms, hands, legs, and feet, but you might also find it on the face, neck, and body. It also can affect the lips and inside the mouth. It usuallys follows an infection or drug exposure.
see also: HPO: HP_0010783
definition source: WEB: http://kidshealth.org/parent/infections/skin/erythema_multiforme.html
see also: SIDER: C0014742
term editor: YH, MW
imported from: oae.owl

gastrointestinal disorder AE
type: Class
subclass of: digestive system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0005409
see also: SIDER: C0017178
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'gastrointestinal disorder' is an adverse event that was mentioned in 449 VAERS reports (0.3%) during1991-2001 (Reference: PMID: 12825543).
definition: a digestive system AE which has an outcome of a gastrointestinal disorder
term editor: YH
see also: HPO: HP_0011024
imported from: oae.owl

cardiac arrest
type: Class
subclass of: cardiac disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10007515
has_meddra_id: 10007617
has_meddra_id: 10028596
definition source: WEB: http://medical-dictionary.thefreedictionary.com/cardiac+arrest
definition: a cardiac disorder AE that has an outcome of heartarrest, the abrupt cessation of normal circulation of the blood due to failure of the heart to contract effectively during systole.
alternative term: cardiopulmonary arrest
term editor: YH
alternative term: circulatory arrest
see also: NCIT: C50479
definition source: WEB: http://en.wikipedia.org/wiki/Myocardial_infarction
see also: CTCAE: E10101
alternative term: heart arrest AE
imported from: oae.owl

liver function test abnormal AE
type: Class
subclass of: liver related investigation result abnormal AE
has_meddra_id: 10019670
has_meddra_id: 10024690
definition source: WEB: http://medical-dictionary.thefreedictionary.com/hepatic+function
see also: MP: MP_0000609
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'liver function tests abnormal' was mentioned in 717 VAERS reports (0.6%) during1991-2001 (Reference: PMID: 12825543).
definition: a liver related investigation result abnormal AE which shows an abnormal test result in a liver function test, indicating aberrant function of liver.
imported from: oae.owl

ear AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0001690
subclass of: adverse event
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
definition: an AE that occurs in ear.
see also: SIDER: C0013447
alternative term: ear disorder AE
term editor: YH
see also: HPO: HP_0000598
imported from: oae.owl

viral infection AE
type: Class
subclass of: infection AE
alternative term: viral infection
see also: HPO: HP_0005364
see also: SIDER: C0042769
definition: an infection AE that results in detrimental colonization of a host organism by virus
term editor: YH, SS
definition source: WEB: http://en.wikipedia.org/wiki/Viral_infection
imported from: oae.owl

jaundice AE
type: Class
subclass of: liver AE
has_meddra_id: 10023126
definition source: WEB: http://en.wikipedia.org/wiki/Jaundice
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'jaundice' is an adverse event that was mentioned in 317 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543).
see also: MP: MP_0000611
see also: SIDER: C0022346
definition: a liver/biliary system AE which has an outcome of jaundice, which is the clinical manifestation of hyperbilirubinemia, with deposition of bile pigments in the skin, resulting in yellowish staining of the skin and mucous membranes
see also: HPO: HP_0000952
term editor: SS, YH
alternative term: icterus AE
imported from: oae.owl

palpitation AE
type: Class
subclass of: sensory capability AE
has_meddra_id: 10033557
definition source: WEB: http://en.wikipedia.org/wiki/Palpitations
definition: a sensory capability AE that has an outcome of palpitation
comment: A palpitation is an abnormal awareness of the beating of the heart, whether it is too slow, too fast, irregular, or at its normal frequency.
term editor: YH
imported from: oae.owl

immune system AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002405
subclass of: adverse event
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002405
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'immune system disorder' was mentioned in 292 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543).
see also: HPO: HP_0002715
term editor: YH
see also: SIDER: C0021053
alternative term: immune system disorder AE
definition: an AE that occurs in immune system.
imported from: oae.owl

thrombocytopenic purpura AE
type: Class
subclass of: purpura AE
has_meddra_id: 10043561
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'thrombocytopenic purpura'; is an adverse event that was mentioned in 267 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543).
see also: HPO: HP_0004829
definition: Thrombocytopenic purpura AE are purpura AE associated with a reduction in circulating blood platelets which can result from a variety of causes.
term editor: YH
see also: SIDER: C0857305
imported from: oae.owl

amnesia AE
type: Class
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10001949
term editor: YH, MW
definition: a behavior and neurological AE that has an outcome of amnesia in a patient
see also: HPO: HP_0002354
see also: SIDER: C0002622
comment: Amnesia is a short term memory condition in which memory is disturbed. In simple terms it is the loss of memory.
imported from: oae.owl

purpura AE
type: Class
subclass of: skin discoloration AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10037549
see also: HPO: HP_0000979
comment: Purpura is the appearance of red or purple discolorations on the skin that do not blanch on applying pressure. They are caused by bleeding underneath the skin. This is common with typhus and can be present with meningitis caused by meningococcal meningitis or septicaemia. Reference: http://en.wikipedia.org/wiki/Purpura.
term editor: YH, MW
Chinese translation: 紫癜
see also: SIDER: C0034150
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'purpura'; is an adverse event that was mentioned in 251 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543).
definition: a skin discoloration AE which has an outcome of purpura
imported from: oae.owl

coma AE
type: Class
subclass of: sensory capability AE
has_meddra_id: 10010071
comment: Coma is a profound state of unconsciousness. A comatose person cannot be awakened, fails to respond normally to pain or light, does not have sleep-wake cycles, and does not take voluntary actions.
see also: HPO: HP_0001259
definition: a sensory capability AE that has an outcome of coma
term editor: YH
see also: SIDER: C0009421
imported from: oae.owl

cardiovascular AE
type: Class
equivalent class: Class
  intersection of: adverse event
  intersection of: Restriction
    on property: occurs in
    some values from: UBERON_0004535
subclass of: adverse event
has_meddra_id: 10007649
see also: HPO: HP_0001626
see also: SIDER: C0007222
term editor: YH
definition: an AE that occurs in cardiovascular system.
alternative term: cardiovascular disorder AE
imported from: oae.owl

urine abnormality AE
type: Class
subclass of: urinary system AE
see also: SIDER: C0235639
definition: a urinary system AE that has an outcome of urine abnormality AE
see also: HPO: HP_0011036
term editor: YH
imported from: oae.owl

increased salivation AE
type: Class
subclass of: abnormal salivary gland physiology AE
see also: MP: MP_0000622
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'increased salivation' is an adverse event that was mentioned in 336 VAERS reports (0.3%) during1991-2001 (Reference: PMID: 12825543).
definition: an abnormal salivary gland physiology AE which has an outcome of increased salivation, meaning greater than normal amounts of flowing saliva
imported from: oae.owl

generalized spasm AE
type: Class
subclass of: muscle spasm AE
term editor: YH
definition: a muscle spasm AE which has an outcome of generalized spasm, which is an involuntary contraction of a muscle or group of muscles. Spasms may involve skeletal muscle (MUSCLE, SKELETAL) or smooth muscle (MUSCLE, SMOOTH).
imported from: oae.owl

dry mouth AE
type: Class
subclass of: digestive system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10013781
alternative term: xerostomia
see also: NCIt: C26917
see also: HPO: HP_0000217
definition: a digestive system AE which has an outcome of dry mouth, which is dryness of the mouth resulting from reduced salivary secretion
term editor: YH
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'dry mouth'; is an adverse event that was mentioned in 171 VAERS reports (0.1%) during1991-2001 (Reference: PMID: 12825543).
see also: CTCAE: E10578
see also: SIDER: C0043352
imported from: oae.owl

epistaxis AE
type: Class
subclass of: hemorrhage AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10015090
term editor: YH, MW
alternative term: nosebleed
comment: Epistaxis is the relatively common occurrence of hemorrhage from the nose, usually noticed when the blood drains out through the nostrils.
see also: SIDER: C0014591
see also: HPO: HP_0000421
definition: a hemorrhage AE that has an outcome of epistaxis
imported from: oae.owl

abnormal salivary gland physiology AE
type: Class
subclass of: digestive system AE
see also: MP: MP_0005310
definition: a digestive system AE which has an outcome of abnormal salivary gland physiology, which is any functional anomaly of any of the glands in the mouth that secrete saliva
imported from: oae.owl

bone AE
type: Class
subclass of: musculoskeletal or connective tissue AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002481
has_meddra_id: 10005956
see also: HPO: HP_0000924
see also: SIDER: C0005940
term editor: YH
definition: a musculoskeletal system AE that occurs in the bone
alternative term: bone disorder
imported from: oae.owl

muscle spasm AE
type: Class
subclass of: muscle AE
has_meddra_id: 10028334
see also: MP: MP_0000743
term editor: SS, YH
definition source: WEB: http://en.wikipedia.org/wiki/Spasm
definition: a muscle adverse event which has an outcome of muscle spasm, which is an involuntary and often painful muscle contraction or cramps having a number of causes ranging from nutritional deficiency to serious nervous system conditions
imported from: oae.owl

abnormal stool AE
type: Class
subclass of: digestive system AE
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'abnormal stools' was mentioned in 111 VAERS reports (<0.1%) during1991-2001 (Reference: PMID: 12825543).
definition: a digestive system AE which has an outcome of abnormal stool
term editor: YH
imported from: oae.owl

paralysis AE
type: Class
subclass of: movement disorder AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002385
has_meddra_id: 10033799
definition: a movement disorder AE that results in the loss of power of voluntary movement in a muscle through injury or disease of its nerve supply
see also: HPO: HP_0010549
see also: SIDER: C0522224
see also: MP: MP_0000753
Chinese translation: 瘫痪
definition source: WEB: https://www.nlm.nih.gov/medlineplus/paralysis.html
term editor: SS, YH
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'paralysis' is an adverse event that was mentioned in 574 VAERS reports (0.4%) during1991-2001 (Reference: PMID: 12825543).
imported from: oae.owl

ataxia AE
type: Class
subclass of: movement disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10003591
see also: SIDER: C0004134
see also: HPO: HP_0001251
comment: a movement disorder AE that has an outcome of ataxia, inability to coordinate voluntary muscular movements
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'ataxia' is an adverse event that was mentioned in 555 VAERS reports (0.4%) during1991-2001 (Reference: PMID: 12825543).
term editor: YH, MW
see also: MP: MP_0001393
imported from: oae.owl

skin AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002097
subclass of: hair, skin or nail AE
has_meddra_id: 10040831
definition source: WEB: http://www.thefreedictionary.com/skin+disorder
definition: a hair, skin, and nail AE that occurs in skin.
term editor: YH
imported from: oae.owl

abnormal gait AE
type: Class
subclass of: movement disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10017577
alternative term: gait disturbance AE
see also: NCIt: C78303
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmed/21224774
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'abnormal gait' is an adverse event that was mentioned in 998 VAERS reports (0.8%) during1991-2001 (Reference: PMID: 12825543).
definition: a movement disorder AE that has an outcome of unusual or distinctive way of walking
term editor: SS, YH
see also: CTCAE: E11112
see also: MP: MP_0001406
imported from: oae.owl

abnormal fluid regulation AE
type: Class
subclass of: homeostasis AE
see also: MP: MP_0001784
definition: a homeostasis AE which has an outcome of abnormal fluid regulation, which is any anomaly in the control of intracellular and/or extracellular fluid
imported from: oae.owl

anemia AE
type: Class
subclass of: hematopoietic system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10002034
has_meddra_id: 10002272
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001586/
definition: a hematopoietic system AE which has an outcome of anemia, which is less than normal levels of red blood cells and/or hemoglobin within red blood cells, or volume of packed red blood cells in the bloodstream, resulting in insufficient oxygenation of tissues and organs
alternative term: anaemia AE
see also: NCIt: C2869
see also: MP: MP_0001577
see also: CTCAE: E10010
imported from: oae.owl

hypotension AE
type: Class
subclass of: abnormal blood pressure AE
subclass of: Restriction
  on property: is evidence of
  some values from: vasodilatation AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10005734
has_meddra_id: 10021097
see also: HPO: HP_0002615
see also: NCIt: C3128
term editor: YH, MW
see also: CTCAE: E13791
alternative term: blood pressure decreased, low blood pressure
see also: MP: MP_0001596
definition: an abnormal blood pressure AE that has an outcome of sustained low blood pressure at a level that is likely to result in cardiovascular disease and/or other pathological states
see also: SIDER: C0020649
imported from: oae.owl

abnormal digestion AE
type: Class
subclass of: digestive system AE
see also: MP: MP_0001664
definition: a digestive system AE which has an outcome of abnormal digestion, which is an altered ability of the mechanical, chemical, and enzymatic processes of the body to convert ingested food into material suitable for assimilation for synthesis of tissues or liberation of energy
imported from: oae.owl

homeostasis AE
type: Class
subclass of: adverse event
definition: an AE that occurs in the homeostasis system.
comment: anomaly in the processes involved in the maintenance of an internal equilibrium of various functions and chemical or protein composition of the fluids and tissues
see also: MP: MP_0001764
imported from: oae.owl

edema AE
type: Class
subclass of: abnormal fluid regulation AE
has_meddra_id: 10016807
has_meddra_id: 10030095
has_meddra_id: 10042674
see also: MP: MP_0001785
definition source: WEB: http://en.wikipedia.org/wiki/Oedema
definition: an abnormal fluid regulation AE which has an outcome of edema, which is an accumulation of an excessive amount of watery fluid in cells or intercellular tissues
alternative term: oedema, swelling, dropsy
definition source: WEB: http://en.wikipedia.org/wiki/Swelling_(medical)
imported from: oae.owl

inflammation AE
type: Class
subclass of: immune system AE
has_meddra_id: 10061218
see also: SIDER: C0021368
term editor: SS, YH
see also: HPO: HP_0007891
definition source: WEB: http://en.wikipedia.org/wiki/Inflammation
see also: MP: MP_0001846
definition: an immune system disorder AE that results in complex biological response of vascular tissues to harmful stimuli, such as pathogens, damaged cells, or irritants. Inflammation is a protective attempt by the organism to remove the injurious stimuli as well as initiate the healing process for the tissue greater than expected response to injury, infection, or insult.
imported from: oae.owl

respiratory system inflammation AE
type: Class
subclass of: inflammation AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0001004
see also: MP: MP_0002405
definition: an inflammation AE which occurs in the respiratory system, which is reflected with the local accumulation of fluid, plasma proteins, and leukocytes in the respiratory system
imported from: oae.owl

vasculitis AE
type: Class
subclass of: inflammation AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000055
has_meddra_id: 10047115
see also: MP: MP_0001864
term editor: YH, MW
see also: HPO: HP_0002633
definition: an inflammation AE that has an outcome of vasculitis, which is an inflammation of a blood or lymph vessel
see also: SIDER: C0042384
editor note: It's an inflammation.
imported from: oae.owl

allergy AE
type: Class
subclass of: hypersensitivity AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10001718
has_meddra_id: 10001738
alternative term: anaphylactic reaction AE
alternative term: allergic reaction AE
see also: CTCAE: E11248
see also: MP: MP_0001878
Chinese translation: 过敏反应
see also: NCIt: C3114
definition source: WEB: http://en.wikipedia.org/wiki/Allergy
alternative term: allergic response AE
term editor: JX, LW, YH
definition: a hypersensitivity AE which results in an allergic response showing a marked increase in reactivity to an antigen upon subsequent exposure.
Chinese translation: 变态反应
imported from: oae.owl

nervous system AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0001016
subclass of: adverse event
has_meddra_id: 10029202
term editor: KY, YH
definition: an AE that occurs in nervous system.
see also: MP: MP_0003633
alternative term: nervous system disorder AE
definition source: URL: http://www.hopkinsmedicine.org/healthlibrary/conditions/nervous_system_disorders/overview_of_nervous_system_disorders_85,P00799/
imported from: oae.owl

abnormal respiration AE
type: Class
subclass of: respiratory system AE
editor note: Not sure if it is same as respiratory system disorder or abnormal respiration. --Oliver He
see also: MP: MP_0001943
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'respiratory disorder' is an adverse event that was mentioned in 556 VAERS reports (0.4%) during1991-2001 (Reference: PMID: 12825543).
definition: a respiratory system AE which has an outcome of abnormal respiration, an anomaly in the movement of gases into and out of the lung
imported from: oae.owl

apnea AE
type: Class
subclass of: abnormal respiration AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
alternative term: respiratory arrest AE
term editor: JX, YH, MW
see also: NCIt: C26698
alternative term: MedDRA: 10002974 is for "apnoea"; MedDRA: 10002972 is for "apnea".
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'apnea' is an adverse event that was mentioned in 1,618 VAERS reports (1.3%) during1991-2001 (Reference: PMID: 12825543).
see also: CTCAE: E13306
alternative term: apnoea AE
see also: UMLS CUI: C0003578
definition source: WEB: http://medical-dictionary.thefreedictionary.com/apnea
see also: MP: MP_0001957
definition: an abnormal respiration AE which has an outcome of apnea, temporary cessation of breathing; sometimes episodic
imported from: oae.owl

deafness AE
type: Class
subclass of: ear AE
has_meddra_id: 10011878
see also: MP: MP_0001967
see also: HPO: HP_0000365
see also: SIDER: C0011053
definition: an ear disorder AE which has an outcome of deafness, which is an inability to hear
imported from: oae.owl

gustatory system AE
type: Class
equivalent class: Class
  intersection of: adverse event
  intersection of: Restriction
    on property: occurs in
    some values from: UBERON_0001033
subclass of: adverse event
see also: MP: MP_0001985
term editor: YH, JX
definition: an adverse event that occurs in a gustatory system
imported from: oae.owl

abnormal vision AE
type: Class
subclass of: eye AE
see also: MP: MP_0002090
definition: an eye disorder AE which has an outcome of abnormal vision, which is an inability or decreased ability to see
imported from: oae.owl

seizure AE
type: Class
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000955
has_meddra_id: 10039906
has_meddra_id: 10039910
see also: CTCAE: E12804
definition source: WEB: http://www.healthline.com/symptom/seizures
Chinese translation: 突然发作
term editor: YH, JX, YH
see also: MP: MP_0002064
see also: NCIt: C2962
definition: a behavior and neurological AE that shows a sudden surge of electrical activity in the brain.
imported from: oae.owl

behavioral and neurological AE
type: Class
equivalent class: Class
  intersection of: adverse event
  intersection of: Restriction
    on property: has participant quality
    some values from: behavior abnormal quality
subclass of: adverse event
definition source: WEB: http://www.psychguides.com/guides/behavioral-disorder-symptoms-causes-and-effects/
term editor: YH, JX
alternative term: behavior AE
alternative term: disruptive behavioral disorder AE
see also: MP: MP_0004924
definition: an adverse event that has an outcome of an abnormal behavior and neurological phenotype.
comment: any anomaly in the actions, reactions, or performance of an organism in response to external or internal stimuli compared to controls
alternative term: behavioral AE
alternative term: behavioral disorder AE
imported from: oae.owl

movement disorder AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10028035
see also: HPO: HP_0100022
see also: SIDER: C0026650
see also: MP: MP_0002066
definition: a behavior and neurological AE that has an outcome of altered ability to coordinate voluntary movement or repetitive, compulsive movements
imported from: oae.owl

sensory capability AE
type: Class
subclass of: behavioral and neurological AE
see also: MP: MP_0002067
comment: a behavior and neurological AE that has an outcome of inability or altered ability to respond to a sensory stimulus
imported from: oae.owl

hypersensitivity AE
type: Class
subclass of: immune system AE
has_meddra_id: 10020751
definition: Hypersensitivity AE is a immune system AE that is a set of undesirable reactions produced by the normal immune system, including allergies and autoimmunity. These reactions may be damaging, uncomfortable, or occasionally fatal.
term editor: JX, LW, YH
see also: MP: MP_0002148
see also: HPO: HP_0100326
definition source: WEB: http://en.wikipedia.org/wiki/Hypersensitivity
alternative term: hypersensitivity reaction AE
Chinese translation: 超敏反应
see also: SIDER: C0020517
imported from: oae.owl

hypoventilation AE
type: Class
subclass of: abnormal respiration AE
has_meddra_id: 10021133
has_meddra_id: 10038678
alternative term: respiratory depression AE
see also: HPO: HP_0007110
see also: MP: MP_0002321
definition source: WEB: https://en.wikipedia.org/wiki/Hypoventilation
term editor: QL, YH
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'hypoventilation' is an adverse event that was mentioned in 321 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543).
see also: SIDER: C0398353
Chinese translation: 呼吸抑制
definition: an abnormal respiration AE which has an outcome of hypoventilation, i.e., reduced alveolar ventilation relative to metabolic carbon dioxide production; results in alveolar carbon dioxide pressure increasing above normal
imported from: oae.owl

hematopoietic system AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002390
subclass of: adverse event
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002390
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
see also: MP: MP_0002396
definition: an adverse event which occurs in a hematopoietic system, which is any structural or developmental anomaly of the blood cells or the organs associated with the development and formation of blood cells
imported from: oae.owl

mydriasis AE
type: Class
subclass of: eye AE
has_meddra_id: 10028521
see also: HPO: HP_0011499
see also: SIDER: C0026961
see also: MP: MP_0002546
definition: an eye disorder AE which has an outcome of mydriasis, which is dilation of one or both pupils regardless of light conditions
imported from: oae.owl

increased heart rate AE
type: Class
subclass of: arrhythmia AE
has_meddra_id: 10019303
definition source: WEB: http://en.wikipedia.org/wiki/Tachycardia
alternative term: tachycardia
see also: MP: MP_0002626
definition: an arrhythmia AE that has an outcome of greater than average resting heart beats per minute, usually measured by the number of times the heart ventricles contract per unit of time, usually per minute
imported from: oae.owl

opisthotonus AE
type: Class
subclass of: muscle spasm AE
subclass of: movement disorder AE
has_meddra_id: 10030899
term editor: YH
definition: a muscle spasm AE that has an outcome of opisthotonus
see also: MP: MP_0002880
see also: SIDER: C0151818
see also: HPO: HP_0002179
comment: opisthotonus is a form of tetanic spasm in which the head, neck and spine are bent backward and the body is bowed forward
imported from: oae.owl

dysphagia AE
type: Class
subclass of: digestive system AE
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10013950
see also: CTCAE: E10621
see also: HPO: HP_0002015
see also: SIDER: C0011168
see also: NCIt: C2980
see also: MP: MP_0003158
definition: a digestive system AE which has an outcome of dysphagia, which is a behavior and neurological AE that has an outcome of difficulty in swallowing food or liquid
imported from: oae.owl

vomiting AE
type: Class
subclass of: abnormal digestion AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10047700
see also: NCIt: C3442
alternative term: regurgitation AE
see also: SIDER: C0042963
see also: MP: MP_0003260; MDR: 10047700
see also: CTCAE: E11068
see also: HPO: HP_0002013
comment: an abnormal digestion AE which has an outcome of vomiting, the retrograde expulsion of gastric contents through the oral cavity
imported from: oae.owl

abnormal defecation AE
type: Class
subclass of: digestive system AE
see also: MP: MP_0003866
definition: a digestive system AE that has an outcome of abnormal defecation, an anomaly in the production and excretion of feces
imported from: oae.owl

urinary incontinence AE
type: Class
subclass of: urinary system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
see also: MP: MP_0003280
see also: HPO: HP_0000020
see also: SIDER: C0042024
term editor: YH, MW
alternative term: MedDRA: 10046543
see also: CTCAE: E13042
see also: NCIt: C78497
definition source: WEB: http://www.nlm.nih.gov/medlineplus/urinaryincontinence.html
definition: a urinary system AE that has an outcome of the symptom of urinary incontinence, which is the inability to control the urinary excretory functions.
imported from: oae.owl

tinnitus AE
type: Class
subclass of: hearing disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10043882
see also: HPO: HP_0000360
see also: MP: MP_0003741
see also: CTCAE: E10287
see also: NCIt: C50772
see also: SIDER: C0040264
definition: an hearing disorder AE that shows a persistent sensation of buzzing, ringing, clicking, or other noises in the ear
imported from: oae.owl

mouth mucosal ulceration AE
type: Class
subclass of: digestive system AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000165
see also: MP: MP_0003747
editor note: According to the Vaccine Adverse Event Reporting System (VAERS), 'mouth ulceration' was mentioned in 246 VAERS reports (0.2%) during1991-2001 (Reference: PMID: 12825543).
definition: a digestive system AE which has an outcome of mouth mucosal ulceration, which is lesions through the mucous membrane of the mouth, usually associated with loss of tissue
imported from: oae.owl

diarrhea AE
type: Class
subclass of: abnormal defecation AE
has_meddra_id: 10012735
alternative term: diarrhoea AE
see also: MP: MP_0005036
definition source: WEB: http://medical-dictionary.thefreedictionary.com/diarrhea
definition: an abnormal defecation AE that has an outcome of diarrhea, which is abnormally frequent discharge of semi-solid or fluid fecal matter from the bowel
imported from: oae.owl

hematuria AE
type: Class
subclass of: urinary system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10018867
has_meddra_id: 10018870
has_meddra_id: 10019450
see also: MP: MP_0005161
term editor: YH, SJ, MW
definition source: WEB: http://kidney.niddk.nih.gov/kudiseases/pubs/hematuria/
see also: NCIt: C3090
definition: a urinary system AE that results in the presence of blood in the urine
alternative term: blood urine
alternative term: blood urine presence
alternative term: haematuria AE
alternative term: UMLS CUI: C0018965 (hematuria AND haematuria); UMLS CUI: C0947999 (blood urine presence)
see also: CTCAE: E13000
comment: Hematuria AE can be caused by menstruation, vigorous exercise, sexual activity, viral illness, trauma, or infection, such as a urinary tract infection (UTI), along with more serious disorders such as cancer, disease, and clotting.
imported from: oae.owl

urinary system AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0001008
subclass of: adverse event
see also: MP: MP_0005502
term editor: YH
definition: an adverse event that has an outcome of urinary system AE is a functional anomaly of any of the organs involved in the production or excretion of urine
imported from: oae.owl

abnormal body temperature AE
type: Class
subclass of: homeostasis AE
see also: MP: MP_0005535
definition: a homeostasis AE whic has an outcome of abnomal body temperature, which is a deviation in the level of heat natural to a living being
imported from: oae.owl

double vision AE
type: Class
subclass of: abnormal vision AE
has_meddra_id: 10013036
comment: an abnormal vision AE which has an outcome of double vision, which is two images perceived when only a single object is present
alternative term: diplopia AE
see also: MP: MP_0006150
imported from: oae.owl

investigation result abnormal AE
type: Class
subclass of: adverse event
has_meddra_id: 10061253
term editor: EB, SS, YH
editor note: This term is used to replace 'lab test abnormal AE'. The reason for this is that some test, like X-ray test, is not considered by many physicians as a lab test. Therefore, we have used this new term to cover a broader scope. All terms asserted under this term represent the investigation results without defined conclusion of disease.
alternative term: laboratory test abnormal
definition: an adverse event that is indicated by an abnormal result of an investigation that uses some laboratory equipment, device, or medical technology.
imported from: oae.owl

ecchymosis AE
type: Class
subclass of: hemorrhage AE
has_meddra_id: 10014080
see also: MP: MP_0009276
see also: HPO: HP_0000978
definition: a hemorrhage AE that has an outcome of ecchymosis
see also: SIDER: C0013491
comment: an ecchymosis is a spot caused by loss of blood from a vessel; it implies a larger size than a petechiae, and has a more diffuse border than purpura; an ecchymosis can be caused by a bruise (which implies trauma), but can also be caused by bleeding diathesis
imported from: oae.owl

erythema AE
type: Class
subclass of: skin AE
has_meddra_id: 10015150
definition source: WEB: http://en.wikipedia.org/wiki/Erythema
see also: HPO: HP_0010783
alternative term: reddish skin
term editor: SS, YH
see also: SIDER: C0041834
definition: Erythema AE is a skin adverse event that showns redness of the skin caused by hyperemia of the capillaries in the lower layers of the skin.
imported from: oae.owl

reproductive system AE
type: Class
subclass of: adverse event
term editor: YH, SS
definition: reproductive system AE is an AE that occurs in the reproductive system.
imported from: oae.owl

arrhythmia AE
type: Class
subclass of: cardiac disorder AE
has_meddra_id: 10003119
alternative term: abnormal heartbeat AE
see also: HPO: HP_0011675
term editor: SS, YH
definition source: WEB: http://www.nhlbi.nih.gov/health/health-topics/topics/arr/
see also: SIDER: C0003811
alternative term: cardiac arrhythmia AE
definition: a cardiac disorder AE which has an outcome of abnormal heart rhythm
see also: MP: MP_0004085
imported from: oae.owl

stomach discomfort AE
type: Class
subclass of: digestive system AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000945
has_meddra_id: 10042124
alternative term: stomach upset AE
term editor: SS, YH
Chinese translation: 胃部不适
definition: a digestive system AE which has an outcome of stomach discomfort
imported from: oae.owl

skin ulceration AE
type: Class
subclass of: skin AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10040943
has_meddra_id: 10040947
see also: SIDER: C0037299
alternative term: skin ulcer AE
definition source: WEB: http://en.wikipedia.org/wiki/Ulcer_%28dermatology%29
see also: HPO: HP_0200042
see also: NCIt: C54247
see also: CTCAE: E13730
definition: a skin AE that shows a result of skin ulcer, i.e., a sore on the skin or a mucous membrane, accompanied by the disintegration of tissue. Ulcers can result in complete loss of the epidermis and often portions of the dermis and even subcutaneous fat.
term editor: SS, YH, MW
imported from: oae.owl

urine analysis result abnormal AE
type: Class
subclass of: urinary system investigation result abnormal AE
has_meddra_id: 10062226
term editor: SS, YH, EB
definition: a urinary system investigation result abnormal AE that has an outcome of a urine analysis abnormality
imported from: oae.owl

vasodilatation AE
type: Class
subclass of: cardiovascular AE
comment: a cardiovascular disorder AE which has an outcome of vasodilatation, which refers to the widening of blood vessels resulting from relaxation of smooth muscle cells within the vessel walls, particularly in the large arteries, smaller arterioles and large veins.
definition source: WEB: http://en.wikipedia.org/wiki/Vasodilation
term editor: SS, YH
see also: HPO: HP_0004927
see also: SIDER: C0595862
imported from: oae.owl

blood bilirubin level abnormal AE
type: Class
subclass of: liver related investigation result abnormal AE
has_meddra_id: 10058477
definition: a liver related investigation result abnormal AE that has an outcome of an abnormal amount of bilirubin in the blood
term editor: DJ, SS, YH, EB
definition source: WEB: http://medical-dictionary.thefreedictionary.com/bilirubin
imported from: oae.owl

blood bilirubin level increased AE
type: Class
subclass of: blood bilirubin level abnormal AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
has_meddra_id: 10005364
definition source: WEB: http://medical-dictionary.thefreedictionary.com/bilirubin
definition: a blood bilirubin level abnormal AE with an outcome of a increased amount of bilirubin, or a yellow breakdown product (broken down hemoglobin) of normal heme catabolism, in the blood
term editor: DJ, SS, YH, EB
see also: CTCAE: E12096
see also: NCIt: C27088
imported from: oae.owl

bone marrow depression AE
type: Class
subclass of: bone marrow disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10005986
has_meddra_id: 10048580
term editor: DJ, SS, YH, MW
alternative term: hypocellular bone marrow
see also: UMLS: C0151773
see also: SIDER: C0151773
comment: Bone marrow produces three types of blood cells; red blood cells, white blood cells and platelets. Bone marrow depression is characterized by an inability or reduced ability of the bone marrow to produce these cells. A low blood count can involve just one or all three types of blood cells.
see also: HPO: HP_0012145
see also: NCIt: C35167
alternative term: bone marrrow hypocellular
definition source: WEB: http://www.drugs.com/condition/bone-marrow-depression-low-blood-counts.html
see also: CTCAE: E10022
definition: a bone marrow disorder AE that has an outcome of an abnormal condition in which the bone marrow is unable to produce normal amounts of red blood cells, white blood cells and platelets
definition source: WEB: http://en.diagnosispro.com/differential_diagnosis-for/bx-bone-marrow-biopsy-hypocellular/29777-154.html
imported from: oae.owl

bone marrow disorder AE
type: Class
subclass of: hematopoietic system AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002371
has_meddra_id: 10061729
definition: a hematopoietic system AE that has an outcome of disease in the bone marrow, the spongy tissue inside of some bones that contain stem cells that can develop into red blood cells, white blood cells or platelets
definition source: WEB: http://www.nlm.nih.gov/medlineplus/bonemarrowdiseases.html
term editor: DJ, SS, YH
imported from: oae.owl

cardiac failure AE
type: Class
subclass of: cardiac disorder AE
subclass of: Restriction
  on property: is evidence of
  some values from: hypotension AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
subclass of: Restriction
  on property: is evidence of
  some values from: cardiomyopathy AE
subclass of: Restriction
  on property: is evidence of
  some values from: hypertension AE
has_meddra_id: 10007554
has_meddra_id: 10019279
term editor: DJ, SS, YH
alternative term: heart failure
see also: NCIt: C50577
definition: a cardiovascular disorder AE that results in the inability of the heart to provide sufficient pump action to distribute blood flow to meet the needs of the body
definition source: WEB: http://medical-dictionary.thefreedictionary.com/cardiac+failure
see also: SIDER: C0018801
see also: HPO: HP_0001635
see also: CTCAE: E10124
imported from: oae.owl

cardiogenic shock AE
type: Class
subclass of: hypotension AE
subclass of: Restriction
  on property: is evidence of
  some values from: cardiomyopathy AE
has_meddra_id: 10007625
definition: a hypotension AE that has an outcome of the inability of the heart to supply enough blood to the organs of the body because of heart damage
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001237/
term editor: DJ, SS, YH
imported from: oae.owl

cardiomyopathy AE
type: Class
subclass of: cardiac disorder AE
subclass of: Restriction
  on property: is evidence of
  some values from: cardiac failure AE
subclass of: Restriction
  on property: is evidence of
  some values from: hypertension AE
subclass of: Restriction
  on property: is evidence of
  some values from: hypotension AE
has_meddra_id: 10007636
definition source: WEB: https://en.wikipedia.org/wiki/Cardiomyopathy
term editor: DJ, SS, YH
definition: a cardiovascular disorder AE that has an outcome of deterioration of the function of the myocardium, usually leads to heart failure
see also: SIDER: C0878544
see also: HPO: HP_0001638
definition source: WEB: http://medical-dictionary.thefreedictionary.com/cardiomyopathy
imported from: oae.owl

cerebral hemorrhage AE
type: Class
subclass of: brain AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002037
has_meddra_id: 10008111
term editor: DJ, SS, YH
definition: a brain disorder AE with the outcome of hemorrhage or blood in the brain
see also: SIDER: C2937358
alternative term: cerebral haemorrhage AE
see also: HPO: HP_0001342
imported from: oae.owl

alcohol cardiomyopathy AE
type: Class
subclass of: toxin-induced cardiomyopathy AE
imported from: oae.owl

coordination abnormal AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10010947
see also: SIDER: C0520966
see also: HPO: HP_0011443
definition: a behavior and neurological AE that results in a loss of coordination
term editor: DJ, SS, YH
imported from: oae.owl

cutaneous vasculitis AE
type: Class
subclass of: vasculitis AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002097
has_meddra_id: 10011686
definition source: WEB: http://dermnetnz.org/vascular/vasculitis.html
see also: HPO: HP_0200029
Chinese translation: 皮肤血管炎
definition: an inflammation AE that has an outcome of inflamed blood vessels in the skin
term editor: DJ, SS, YH
see also: SIDER: C0262988
imported from: oae.owl

delirium AE
type: Class
subclass of: psychiatric disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10012218
definition: a psychiatric disorder AE that results in a decline in level of cognitive function
term editor: DJ, SS, YH, MW
definition source: WEB: http://medical-dictionary.thefreedictionary.com/delirium
imported from: oae.owl

disturbance in attention AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10013496
term editor: DJ, SS, YH
see also: HPO: HP_0007018
see also: SIDER: C0233414
definition: a behavior and neurological AE that results in a loss of attention
imported from: oae.owl

drug eruption AE
type: Class
subclass of: skin AE
has_meddra_id: 10013687
definition: a skin AE that has an outcome of a range of adverse drugs reactions of the skin, most commonly rashes resembling measles
definition source: WEB: http://medical-dictionary.thefreedictionary.com/drug+eruption
term editor: DJ, SS, YH
imported from: oae.owl

dysuria AE
type: Class
subclass of: urinary system AE
has_meddra_id: 10013990
definition source: WEB: http://medical-dictionary.thefreedictionary.com/dysuria
Chinese translation: 排尿困难
alternative term: urination disorders AE
see also: SIDER: C0013428
see also: HPO: HP_0100518
definition: Dysuria AE is an urinary system AE that results in painful urination
term editor: JX, DJ, SS, YH
imported from: oae.owl

electrocardiogram result abnormal AE
type: Class
subclass of: cardiac function test abnormal AE
has_meddra_id: 10014363
definition: a cardiac function test abnormal AE that has an outcome of abnormal electrical activity in the heart
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003868.htm
term editor: DJ, SS, YH, EB
imported from: oae.owl

enteritis AE
type: Class
subclass of: digestive system AE
has_meddra_id: 10014866
term editor: DJ, SS, YH
definition: a digestive system AE with an outcome of inflammation in the intestine, especially the small intestine
see also: HPO: HP_0004387
definition source: WEB: http://medical-dictionary.thefreedictionary.com/enteritis
see also: SIDER: C0014335
imported from: oae.owl

eyelid edema AE
type: Class
subclass of: eye edema AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0001711
has_meddra_id: 10015993
see also: SIDER: C0162285
definition: an eye edema AE that has an outcome of swelling in either or both the lower and upper eyelids, due to fluid buildup or inflammation in the delicate tissues surrounding the eye.
definition source: WEB: http://www.localhealth.com/article/eyelid-swelling
alternative term: eyelid oedema AE
term editor: DJ, SS, YH
see also: HPO: HP_0100539
imported from: oae.owl

fall AE
type: Class
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10016173
see also: CTCAE: E11687
see also: NCIt: C50558
see also: HPO: HP_0002359
definition: a behavior and neurological AE that has an outcome of patient falling
term editor: DJ, SS, YH
see also: SIDER: C0085639
imported from: oae.owl

fracture AE
type: Class
subclass of: bone AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10017076
term editor: DJ, SS, YH
definition: a bone disorder AE that has an outcome of complete or incomplete break in a bone resulting from the application of excessive force
see also: NCIt: C3046
definition source: WEB: http://medical-dictionary.thefreedictionary.com/Fractures
see also: CTCAE: E11703
imported from: oae.owl

gastritis AE
type: Class
subclass of: gastric disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10017853
see also: SIDER: C0017152
see also: NCIt: C26780
definition: a gastric disorder AE that has an outcome of inflammation in the lining of the stomach
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0002135/
see also: CTCAE: E10733
term editor: DJ, SS, YH
see also: HPO: HP_0005263
imported from: oae.owl

hematochezia AE
type: Class
subclass of: digestive system AE
has_meddra_id: 10018836
alternative term: haematochezia AE
see also: HPO: HP_0002573
see also: SIDER: C0018932
definition: a digestive system AE that has an outcome of the passage of bloody stools
definition source: WEB: http://medical-dictionary.thefreedictionary.com/hematochezia
term editor: DJ, SS, YH
imported from: oae.owl

hemolytic uremic syndrome AE
type: Class
subclass of: syndrome AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002390
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10018932
has_meddra_id: 10019515
term editor: DJ, SS, YH
see also: HPO: HP_0005575
see also: SIDER: C0019061
definition: a hematopoietic system AE that has an outcome of hemolytic anemia, acute kidney failure and a low platelet count
alternative term: haemolytic uraemic syndrome AE
see also: CTCAE: E10043
see also: NCIt: C75545
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmed/23307876
imported from: oae.owl

hepatic failure AE
type: Class
subclass of: liver AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10019663
definition: a liver/biliary system AE that has an outcome of the inability of the liver to perform its normal synthetic and metabolic function
definition source: WEB: http://medical-dictionary.thefreedictionary.com/liver+failure
see also: HPO: HP_0001399
see also: NCIt: C26922
term editor: DJ, SS, YH
see also: CTCAE: E11211
see also: SIDER: C0085605
imported from: oae.owl

hepatomegaly AE
type: Class
subclass of: liver AE
has_meddra_id: 10019842
definition: a liver/biliary system AE that has an outcome of swelling of the liver
term editor: DJ, SS, YH
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003275.htm
see also: SIDER: C0019209
see also: HPO: HP_0002240
imported from: oae.owl

hyperhidrosis AE
type: Class
subclass of: sweating AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10020642
term editor: DJ, SS, YH, MW
definition source: WEB: http://medical-dictionary.thefreedictionary.com/hyperhidrosis
definition: a skin AE that results in excess perspiration
see also: HPO: HP_0000975
see also: SIDER: C0020458
imported from: oae.owl

toxin-induced cardiomyopathy AE
type: Class
subclass of: cardiomyopathy AE
imported from: oae.owl

leukemoid reaction AE
type: Class
subclass of: immune system AE
has_meddra_id: 10024328
alternative term: leukaemoid reaction AE
see also: HPO: HP_0001909
see also: SIDER: C0023501
term editor: SZ, DJ, SS, YH
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000575.htm
definition: Immune system disorder AE that results in an increase in white blood cell count as a result of stress or infection
imported from: oae.owl

leukopenia AE
type: Class
subclass of: hematopoietic system AE
has_meddra_id: 10024384
see also: SIDER: C0023530
definition source: WEB: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2154209/
see also: HPO: HP_0001882
definition: a hematopoietic system AE that has an outcome of a lower than normal number of leukocytes, or nucleated cells of the myeloid or lymphoid lineages, found in blood or other tissue
term editor: SZ, DJ, SS, YH
imported from: oae.owl

libido disorder AE
type: Class
subclass of: psychiatric disorder AE
has_meddra_id: 10061221
definition source: WEB: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2695750/
term editor: SZ, DJ, SS, YH
definition: a psychiatric disorder AE that results in a disorder in the patient's desire for sexual interaction
imported from: oae.owl

liver AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002107
subclass of: hepatobiliary or pancreatic AE
has_meddra_id: 10024670
definition source: WEB: http://www.nlm.nih.gov/medlineplus/liverdiseases.html
definition: Liver/biliary system AE that results in the disease of the liver
see also: SIDER: C0023895
term editor: SZ, DJ, SS, YH
see also: HPO: HP_0006706
alternative term: liver disorder
imported from: oae.owl

melena AE
type: Class
subclass of: abnormal defecation AE
has_meddra_id: 10027141
see also: HPO: HP_0002249
definition: Abnormal defecation AE that results in black feces associated with gastrointestinal hemorrhage
alternative term: melaena AE
term editor: SZ, SS, YH
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003130.htm
see also: SIDER: C0025222
imported from: oae.owl

myocarditis AE
type: Class
subclass of: inflammation AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000948
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10028606
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001204/
term editor: SZ, SS, YH
see also: NCIt: C34831
definition: an inflammation AE that has an outcome of inflammation of the heart muscle
see also: CTCAE: E10157
imported from: oae.owl

nephrotic syndrome AE
type: Class
subclass of: kidney AE
has_meddra_id: 10029164
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001520/
term editor: SZ, SS, YH
see also: HPO: HP_0000100
definition: a kidney disorder AE that has an outcome of a group of symptoms that include protein in the urine, low blood protein levels, high cholesterol levels, high triglyceride levels and swelling
see also: SIDER: C0027726
imported from: oae.owl

neurotoxicity AE
type: Class
subclass of: neuropathy AE
has_meddra_id: 10029350
has_meddra_id: 10067722
term editor: SZ, SS, YH, QL
definition source: WEB: http://en.wikipedia.org/wiki/Neurotoxicity
definition: a nervous system AE that alters the normal activity of the nervous system due to exposure to neurotoxins (which can be natural or artificial toxic substances), and causes damage to nervous tissue
alternative term: toxic neuropathy AE
imported from: oae.owl

oral mucosa erosion AE
type: Class
subclass of: digestive system AE
has_meddra_id: 10064594
term editor: SZ, SS, YH
definition: Digestive System AE that results in oral lesions
imported from: oae.owl

pancytopenia AE
type: Class
subclass of: hematopoietic system AE
has_meddra_id: 10033661
definition source: WEB: http://medical-dictionary.thefreedictionary.com/pancytopenia
see also: SIDER: C0030312
term editor: SZ, SS, YH
see also: HPO: HP_0001876
definition: Hematopoietic System AE that results in a reduction in the amount of red and white blood cells and platelets in blood
imported from: oae.owl

pseudomembranous colitis AE
type: Class
subclass of: digestive system AE
has_meddra_id: 10037128
term editor: SZ, SS, YH
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001305/
see also: SIDER: C1257843
definition: a digestive system AE that has an outcome of infection in the large intestine with an overgrowth of Clostridium difficile bacteria
see also: HPO: HP_0002583
imported from: oae.owl

red blood cell count decreased AE
type: Class
subclass of: red blood cell count abnormal AE
has_meddra_id: 10038153
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003644.htm
see also: SIDER: C0427457
term editor: SZ, SS, YH, EB
definition: a red blood cell count abnormal AE that has an outcome of a decrease in red blood cells
see also: HPO: HP_0001903
imported from: oae.owl

acute kidney injury AE
type: Class
subclass of: kidney AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10038436
has_meddra_id: 10069339
editor note: As shown on the renal.org website (http://www.renal.org/guidelines/modules/acute-kidney-injury), Acute kidney injury (AKI) has now replaced the term acute renal failure.
alternative term: renal failure acute AE
term editor: SZ, SS, YH, Izabela Birsanescu, MW
see also: SIDER: C0022660
alternative term: AKI
comment: Acute kidney failure occurs when kidneys become unable to filter waste products from blood.
see also: HPO: HP_0001919
definition source: WEB: http://www.mayoclinic.org/diseases-conditions/kidney-failure/basics/definition/con-20024029
definition source: WEB: http://medical-dictionary.thefreedictionary.com/acute+renal+failure
definition: a kidney disorder AE that results in the rapid loss or decline of kidney function
imported from: oae.owl

respiratory acidosis AE
type: Class
subclass of: respiratory system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10038695
alternative term: respiratory failure AE
definition: a respiratory system AE that has an outcome of a condition where lungs cannot remove all the carbon dioxide the body produces, makes body fluid too acidic
see also: SIDER: C1145670
definition source: WEB: http://www.ncbi.nlm.nih.gov/pubmedhealth/PMH0001154/
term editor: SZ, SS, YH
see also: HPO: HP_0004877
imported from: oae.owl

skin hyperpigmentation AE
type: Class
subclass of: skin discoloration AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
has_meddra_id: 10040865
definition: a skin AE that has an outcome of darkening in an area of skin or nails caused by increased melanin
definition source: WEB: http://medical-dictionary.thefreedictionary.com/hyperpigmentation
see also: HPO: HP_0010284
see also: SIDER: C0162834
term editor: SZ, SS, YH, MW
imported from: oae.owl

sleep disorder AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10040984
see also: SIDER: C0851578
definition: a behavior and neurological AE that results in irregular sleep patterns
term editor: SZ, SS, YH
definition source: WEB: http://medical-dictionary.thefreedictionary.com/sleep+disorder
see also: HPO: HP_0002360
imported from: oae.owl

gastric hemorrhage AE
type: Class
subclass of: gastrointestinal hemorrhage AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10017788
has_meddra_id: 10017789
alternative term: gastric haemorrhage AE
term editor: YH, SS
see also: NCIt: C54582
definition: A gastrointestinal hemorrhage AE that has an outcome of the bleeding in the stomach
see also: CTCAE: E10706
imported from: oae.owl

suicide attempt AE
type: Class
subclass of: psychiatric disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10042464
see also: HPO: HP_0000708
definition: a psychiatric disorder AE that results in attempted suicide
term editor: SZ, SS, YH, MW
see also: SIDER: C0038663
imported from: oae.owl

tachypnea AE
type: Class
subclass of: abnormal respiration AE
has_meddra_id: 10043089
alternative term: tachypnoea AE
see also: SIDER: C0231835
definition: an abnormal repiration AE that shows an outcome of tachypnoea (i.e., abnormally rapid breathing or respiration)
see also: HPO: HP_0004346
term editor: SZ, SS, YH
imported from: oae.owl

thrombocytopenia AE
type: Class
subclass of: hematopoietic system AE
has_meddra_id: 10043554
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000586.htm
definition: a hematopoietic system AE that has an outcome of decrease in platelets in the blood
see also: HPO: HP_0001873
term editor: SZ, SS, YH
see also: SIDER: C0040034
imported from: oae.owl

upper gastrointestinal hemorrhage AE
type: Class
subclass of: gastrointestinal hemorrhage AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10046274
has_meddra_id: 10055356
see also: SIDER: C0041909
see also: HPO: HP_0002239
term editor: SZ, SS, YH
alternative term: upper gastrointestinal haemorrhage AE
see also: NCIt: C78660
definition source: WEB: Primary Source: http://medical-dictionary.thefreedictionary.com/gastrointestinal+bleeding Secondary Source: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1237869/
see also: CTCAE: E11062
definition: a gastrointestinal hemorrhage AE that has an outcome of bleeding in the upper gastrointestinal tract
imported from: oae.owl

urinary retention AE
type: Class
subclass of: urinary system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10046555
see also: HPO: HP_0000016
definition: Urinary system AE that results in an inability to urinate
term editor: SZ, SS, YH, MW
definition source: WEB: Primary Source: http://medical-dictionary.thefreedictionary.com/urinary+retention Secondary Source: http://www.medtronic.com/patients/urinary-retention/index.htm
see also: SIDER: C0080274
imported from: oae.owl

urine output decreased AE
type: Class
subclass of: urine abnormality AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G3
    union of: AE severity G4
has_meddra_id: 10059895
see also: NCIt: C80522
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/003147.htm
definition: a urine abnormality AE that has an outcome of decreased urine output, less than 500 milliliters of urine in 24 hours
see also: CTCAE: E12217
term editor: SZ, SS, YH
imported from: oae.owl

vision blurred AE
type: Class
subclass of: abnormal vision AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10005886
has_meddra_id: 10047513
definition: an abnormal vision AE that results in unclear vision
alternative term: blurred vision AE
see also: NCIt: C27123
definition source: WEB: Primary Source: http://www.nlm.nih.gov/medlineplus/ency/article/003029.htm Secondary Source: http://www.ncbi.nlm.nih.gov/pubmed/23111613
see also: HPO: HP_0000622
see also: SIDER: C0344232
see also: CTCAE: E10346
term editor: SZ, SS, YH
imported from: oae.owl

multi-organ failure AE
type: Class
subclass of: systematic AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10028154
term editor: YH, SS
definition: A systematic adverse event that has an outcome of failure in mulitple organs
see also: CTCAE: E11155
see also: NCIt: C75568
imported from: oae.owl

brain AE
type: Class
equivalent class: Class
  intersection of: adverse event
  intersection of: Restriction
    on property: occurs in
    some values from: UBERON_0000955
subclass of: adverse event
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000955
term editor: YH
definition: an adverse event that occurs in brain.
alternative term: brain disorder AE
imported from: oae.owl

cardiovascular investigation result abnormal AE
type: Class
subclass of: investigation result abnormal AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0004535
has_meddra_id: 10007512
definition: an investigation result abnormal AE that involves an abnormal result of an investigation involving the cardiovascular system
term editor: EB, YH
imported from: oae.owl

blood sodium increased
type: Class
subclass of: physical quality
has_meddra_id: 10005803
see also: HPO: HP_0003228
see also: SIDER: C0595878
definition: A physical quality that has an increased level of sodium in the blood
term editor: EB, YH, MW
imported from: oae.owl

urinary system investigation result abnormal AE
type: Class
subclass of: investigation result abnormal AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0001008
has_meddra_id: 10038362
alternative term: renal and urinary tract investigation and urinalysis result abnormal AE
definition: an investigation result abnormal AE that involves the renal and urinary tract and urinalyses
term editor: EB, YH
alternative term: renal system investigation result abnormal AE
imported from: oae.owl

endocrine investigation result abnormal AE
type: Class
subclass of: investigation result abnormal AE
has_meddra_id: 10014706
term editor: EB
definition: an investigation result abnormal AE that involves an abnormal result of an endocrine investigation
imported from: oae.owl

hematology investigation result abnormal AE
type: Class
subclass of: investigation result abnormal AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002390
has_meddra_id: 10018851
alternative term: haematology investigation abnormal AE
definition: an investigation result abnormal AE that is characterized by an abnormal result of a hematology investigation
alternative term: MedDRA: 10057755
term editor: EB
imported from: oae.owl

red blood cell profile abnormal AE
type: Class
subclass of: hematology investigation result abnormal AE
has_meddra_id: 20000029
term editor: EB
definition: a hematology investigation result abnormal AE that results in an abnormal red blood cell profile
imported from: oae.owl

white blood cell profile abnormal AE
type: Class
subclass of: hematology investigation result abnormal AE
has_meddra_id: 20000030
definition: a hematology investigation result abnormal AE that is characterized by an abnormal white blood cell profile
term editor: EB
imported from: oae.owl

leukocyte cell number abnormal AE
type: Class
subclass of: white blood cell profile abnormal AE
definition: a white blood cell profile abnormal AE that is characterized by an abnormal leukocyte cell number
term editor: EB
imported from: oae.owl

liver related investigation result abnormal AE
type: Class
subclass of: investigation result abnormal AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002107
has_meddra_id: 20000008
term editor: EB
definition: an investigation result abnormal AE that is characterized by an abnormal liver related investigation result
imported from: oae.owl

red blood cell count abnormal AE
type: Class
subclass of: red blood cell profile abnormal AE
has_meddra_id: 10038151
term editor: EB
definition: a red blood cell profile abnormal AE that is characterized by an abnormal red blood cell count
imported from: oae.owl

severity of adverse event
type: Class
subclass of: process quality
alternative term: AE severity
term editor: YH, SS
definition: a process quality that represents the level of severity of an adverse event.
imported from: oae.owl

psychiatric disorder AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10037175
definition source: WEB: http://en.wikipedia.org/wiki/Mental_disorder
definition: a behavior and neurological AE that has an outcome of a mental illness or psychiatiric disorder. The mental illness is a mental or behavioral pattern or anomaly that causes either suffering or an impaired ability to function in ordinary life (disability), and which is not developmentally or socially normative.
term editor: YH, Izabela Birsanescu
alternative term: mental disorder AE
imported from: oae.owl

AE severity G1
type: Class
subclass of: severity of adverse event
alternative term: AE severity Grade 1
see also: CTCAE4: E10005 (Grade 1 Adverse Event)
term editor: YH, SS
definition: a severity of AE that shows asymptomatic, or involves mild or minor symptoms, or is of marginal clinical relevance, or consists of clinical or diagnostic observations alone, or where intervention is not indicated, or where only non-prescription intervention is indicated.
comment: Note the AE severity Grade 1 equals to CTCAE G1 AE severity.
definition source: Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_1_Adverse_Event
imported from: oae.owl

AE severity G2
type: Class
subclass of: severity of adverse event
definition: a severity of AE for which only minimal, local, or noninvasive intervention (e.g. packing, cautery) is indicated, or that limits instrumental activities of daily living (ADLs, e.g., shopping, laundry, transportation, or ability to conduct finances).
comment: Note the AE severity Grade 2 equals to CTCAE G2 AE severity.
definition source: Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_2_Adverse_Event
term editor: YH, SS
see also: CTCAE4: E10006 (Grade 2 Adverse Event)
alternative term: AE severity Grade 2
imported from: oae.owl

AE severity G3
type: Class
subclass of: severity of adverse event
definition source: Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_3_Adverse_Event
alternative term: AE severity Grade 3
term editor: YH, SS
see also: CTCAE4: E10007 (Grade 3 Adverse Event)
comment: Note the AE severity Grade 3 equals to CTCAE G3 AE severity.
definition: a severity of AE that shows an outcome which is medically significant but not life-threatening; or for which inpatient care or prolongation of hospitalization are indicated; or that is an important medical event that does not result in hospitalization, but may jeopardize the patient or may require intervention either to prevent hospitalization, to prevent the AE from becoming life-threatening or causing death; or that is disabling; or that results in persistent or significant disability, incapacity, or limitation of self care activities of daily living (ADLs, getting in and out of bed, dressing, eating, getting around inside, bathing, or using the toilet).
imported from: oae.owl

AE severity G4
type: Class
subclass of: severity of adverse event
alternative term: AE severity Grade 4
definition source: Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_4_Adverse_Event
definition: a severity of AE that has life-threatening consequences, for which urgent intervention is indicated, that puts the patient is at risk of death at the time of the event if immediate intervention is not undertaken, or that causes blindness or deafness (need to decide if unilateral or bilateral).
comment: Note the AE severity Grade 4 equals to CTCAE G4 AE severity.
see also: CTCAE4: E10008 (Grade 4 Adverse Event)
term editor: YH, SS
imported from: oae.owl

AE severity G5
type: Class
subclass of: severity of adverse event
comment: Note the AE severity Grade 5 equals to CTCAE G5 AE severity.
term editor: YH, SS
alternative term: AE severity Grade 5
definition source: Web: http://ncicb.nci.nih.gov/xml/owl/EVS/ctcae.owl#Grade_5_Adverse_Event
see also: CTCAE4: E10009 (Grade 5 Adverse Event)
definition: a severity of AE that results in death.
imported from: oae.owl

gastric disorder AE
type: Class
equivalent class: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000945
subclass of: gastrointestinal disorder AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000945
has_meddra_id: 10056819
alternative term: stomach disorder AE
definition: a gastrointestinal disorder AE that shows a problem with the stomach, ranging from indigestion and heartburn to peptic ulcers and GERD.
term editor: RR, YH
definition source: WEB: http://www.nlm.nih.gov/medlineplus/stomachdisorders.html
imported from: oae.owl

numbness AE
type: Class
subclass of: sensory capability AE
has_meddra_id: 10029829
term editor: YH, JS
definition: a sensory capability AE that has an outcome of numbness, a loss of sensation of feeling in a part of the body.
definition source: WEB: http://www.mayoclinic.org/symptoms/numbness/basics/definition/sym-20050938
imported from: oae.owl

hemolytic anemia AE
type: Class
subclass of: anemia AE
has_meddra_id: 10019493
term editor: JX, LW, YH
Chinese translation: 溶血性贫血
definition source: WEB: http://en.wikipedia.org/wiki/Hemolytic_anemia
definition: Hemolytic anemia AE is an anemia AE associated with hemolysis, the abnormal breakdown of red blood cells (RBCs), either in the blood vessels (intravascular hemolysis) or elsewhere in the human body (extravascular). Such an AE can be relatively harmless or life-threatening.
imported from: oae.owl

heartburn AE
type: Class
subclass of: gastric disorder AE
has_meddra_id: 10019326
definition: Heartburn AE is a gastric disorder AE that also known as pyrosis, cardialgia, or acid indigestion. It's a burning sensation in the chest, just behind the breastbone or in the epigastrium, the upper central abdomen. The pain often rises in the chest and may radiate to the neck, throat, or angle of the jaw.
definition source: WEB: http://en.wikipedia.org/wiki/Heartburn
term editor: JX, LW, YH
Chinese translation: 胃灼热（烧心）
imported from: oae.owl

mastauxe AE
type: Class
subclass of: reproductive system AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000310
Chinese translation: 乳房增大
term editor: JX, LW, YH
definition source: WEB: http://medical-dictionary.thefreedictionary.com/mastauxe
definition: Mastauxea AE is a reproductive system AE that shows enlargement of the breast.
imported from: oae.owl

hypoactive sexual desire disorder AE
type: Class
subclass of: libido disorder AE
has_meddra_id: 10020933
alternative term: hyposexuality AE
term editor: JX, LW, YH
definition source: WEB: http://en.wikipedia.org/wiki/Hypoactive_sexual_desire_disorder
Chinese translation: 性欲减退
definition: Hypoactive sexual desire disorder AE is a libido disorder AE that is considered a sexual dysfunction and is characterized as a lack or absence of sexual fantasies and desire for sexual activity, as judged by a clinician.
imported from: oae.owl

chromatosis AE
type: Class
subclass of: skin AE
Chinese translation: 色素沉着
definition source: WEB: http://www.merriam-webster.com/medical/chromatosis
term editor: JX, LW, YH
definition: Chromatos AE is a skin AE shows that deposit of pigment in a normally unpigmented area or excessive pigmentation in a normally pigmented site.
imported from: oae.owl

allergic rhinitis AE
type: Class
subclass of: rhinitis AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
has_meddra_id: 10001723
definition: Allergic rhinitis AE is a rhinitis AE that is an allergic inflammation of the nasal airways. It occurs when an allergen, such as pollen, dust, or animal dander (particles of shed skin and hair) is inhaled by an individual with a sensitized immune system.
Chinese translation: 过敏性鼻炎
definition source: WEB: http://en.wikipedia.org/wiki/Allergic_rhinitis
term editor: JX, LW, YH, MW
imported from: oae.owl

loose stools AE
type: Class
subclass of: abnormal stool AE
has_meddra_id: 10024840
term editor: JX, LW, YH
definition: Loose stools AE is a abnormal stool AE that is usually a form of diarrhea and many conditions causing loose stool will be listed under diarrhea. It may also be related to watery stool (also within the spectrum of diarrhea).
definition source: WEB: http://www.rightdiagnosis.com/sym/loose_stool.htm
Chinese translation: 稀便
imported from: oae.owl

eructation AE
type: Class
subclass of: digestive system AE
has_meddra_id: 10015137
term editor: JX, LW, YH
alternative term: ructus AE
definition source: WEB: http://en.wikipedia.org/wiki/Burping
alternative term: burping AE
alternative term: belching AE
definition: Eructation AE is a digestive system AE that is the release of gas from the digestive tract (mainly esophagus and stomach) through the mouth. It is usually accompanied with a typical sound and, at times, an odor.
Chinese translation: 嗳气
imported from: oae.owl

glossolalia AE
type: Class
subclass of: speech disorder AE
definition: Glossolalia AE is a speech disorder AE that is the fluid vocalizing of speech-like syllables that lack any readily comprehended meaning.
definition source: WEB: http://en.wikipedia.org/wiki/Glossolalia
term editor: JX, LW, YH
Chinese translation: 语言不清
imported from: oae.owl

stomach ache AE
type: Class
subclass of: abdominal pain AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000945
has_meddra_id: 10042126
see also: NCIt: C26682
Chinese translation: 胃痛
alternative term: abdominal pain AE
alternative term: stomach pain AE
alternative term: stomachache AE
see also: CTCAE: E10460
term editor: JX, LW, YH
definition: Stomachache AE is a pain AE that the pain in or near your stomach. It is a common symptom associated with transient disorders or serious disease.
imported from: oae.owl

conduction block AE
type: Class
subclass of: conduction system disorder AE
Chinese translation: 传导阻滞
definition: Conduction block AE is a conduction system disorder AE that shows failure of impulse transmission at some point along a nerve fiber, although conduction along the segments proximal and distal to it are unaffected.
term editor: JX, LW, YH
definition source: WEB: http://www.medilexicon.com/medicaldictionary.php?t=10757
imported from: oae.owl

photodermatitis AE
type: Class
subclass of: dermatitis AE
definition source: WEB: http://en.wikipedia.org/wiki/Photodermatitis
Chinese translation: 光敏性皮炎
definition: Photodermatitis AE is a dermatitis AE that referred to as sun poisoning or photoallergy, is a form of allergic contact dermatitis in which the allergen must be activated by light to sensitize the allergic response, and to cause a rash or other systemic effects on subsequent exposure.
term editor: JX, LW, YH
imported from: oae.owl

interstitial nephritis AE
type: Class
subclass of: inflammation AE
has_meddra_id: 10048302
alternative term: tubulointerstitial nephritis AE
definition: Interstitial nephritis AE is an inflammation AE that is a form of nephritis affecting the interstitium of the kidneys surrounding the tubules. This disease can be either acute, meaning it occurs suddenly, or chronic, meaning it is ongoing and eventually ends in kidney failure.
Chinese translation: 间质肾炎
term editor: JX, LW, YH
definition source: WEB: http://en.wikipedia.org/wiki/Interstitial_nephritis
imported from: oae.owl

dysphoria AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10013954
Chinese translation: 烦躁不安
term editor: JX, LW, YH
definition: Dysphoria AE is a behavior and neurological AE that is a profound state of unease or dissatisfaction. In a psychiatric context, dysphoria may accompany depression, anxiety, or agitation. Common reactions to dysphoria include emotional distress or indifference.
definition source: WEB: http://en.wikipedia.org/wiki/Dysphoria
imported from: oae.owl

herpes simplex AE
type: Class
subclass of: herpes viral infection AE
has_meddra_id: 10019948
term editor: JX, LW, YH
definition source: WEB: http://en.wikipedia.org/wiki/Herpes_simplex
alternative term: herpes catarrhalis AE
definition: a herpes viral infection AE tha is caused by both Herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2).
Chinese translation: 单纯疱疹
imported from: oae.owl

unconsciousness AE
type: Class
subclass of: sensory capability AE
has_meddra_id: 10045481
definition: Unconsciousness AE is a sensory capability AE that is a state which occurs when the ability to maintain a awareness of self and environment is lost, it involves a complete or near-complete lack of responsiveness to people and other environmental stimuli.
definition source: WEB: http://en.wikipedia.org/wiki/Unconsciousness
term editor: JX, LW, YH
alternative term: loss of consciousness AE
Chinese translation: 意识丧失
imported from: oae.owl

miosis AE
type: Class
subclass of: eye AE
has_meddra_id: 10027646
definition: Miosis AE is an eye AE that is a term with various definitions, which generally include constriction of the pupil.
Chinese translation: 瞳孔缩小
alternative term: myosis AE
definition source: WEB: http://en.wikipedia.org/wiki/Miosis
term editor: JX, LW, YH
imported from: oae.owl

albuminuria AE
type: Class
subclass of: urine abnormality AE
has_meddra_id: 10001580
definition source: WEB: http://en.wikipedia.org/wiki/Albuminuria
Chinese translation: 蛋白尿
term editor: JX, LW, YH
definition: Albuminuria AE is a urine abnormality AE that is a pathological condition wherein albumin is present in the urine. It is a type of proteinuria.
imported from: oae.owl

contact dermatitis AE
type: Class
subclass of: dermatitis AE
has_meddra_id: 10010790
definition: Contact dermatitis AE is a dermatitis AE that is a type of skin inflammation.It results from exposure to allergens (allergic contact dermatitis) or irritants (irritant contact dermatitis). Phototoxic dermatitis occurs when the allergen or irritant is activated by sunlight.
term editor: JX, LW, YH
Chinese translation: 接触性皮炎
definition source: WEB: http://en.wikipedia.org/wiki/Contact_dermatitis
imported from: oae.owl

peripheral coldness AE
type: Class
subclass of: sensory capability AE
has_meddra_id: 10034568
definition: a sensory capability AE that has an outcome of peripheral coldness, or coldness of extremeties
definition source: WEB: http://www.patient.co.uk/leaflets/peripheral_coldness.htm
term editor: RR
imported from: oae.owl

hyperesthesia AE
type: Class
subclass of: sensory capability AE
has_meddra_id: 10020568
definition: a sensory capability AE that has an outcome of hyperaesthesia, meaning unusual or pathological sensitivity of the skin or of a particular sense
term editor: RR
Chinese translation: 神经过敏
definition source: WEB: http://www.merriam-webster.com/dictionary/hyperesthesia
alternative term: hyperaesthesia AE
imported from: oae.owl

idiopathic thrombocytopenic purpura AE
type: Class
subclass of: thrombocytopenic purpura AE
has_meddra_id: 10021245
term editor: RR
definition: a thrombocytopenic purpura AE with no known cause (idiopathic). Idiopathic thrombocytopenic purpura is a bleeding disorder in which the immune system destroys platelets, which are necesssary for normal blood clotting. Persons with this disorder have too few platelets in the blood.
Chinese translation: 特发性血小板减少性紫癜
definition source: WEB: http://www.nlm.nih.gov/medlineplus/ency/article/000535.htm
imported from: oae.owl

fecal incontinence AE
type: Class
subclass of: abnormal defecation AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10016092
has_meddra_id: 10016296
term editor: RR, MW, YH
alternative term: faecal incontinence AE
see also: CTCAE: E10693
see also: NCIt: C78498
definition source: WEB: http://digestive.niddk.nih.gov/ddiseases/pubs/fecalincontinence/#what
definition: an abnormal defecation AE that has an outcome of fecal incontinence, the accidental passing of solid or liquid stool or mucus from the rectum
imported from: oae.owl

fear AE
type: Class
subclass of: behavioral and neurological AE
has_meddra_id: 10016275
definition source: WEB: http://www.merriam-webster.com/dictionary/fear
term editor: RR
definition: a behavior and neurological AE that has an outcome of fear, which is to be afraid and/or worried
imported from: oae.owl

anaphylactic shock AE
type: Class
subclass of: circulatory shock AE
has_meddra_id: 10002199
definition source: WEB: http://www.medicinenet.com/script/main/art.asp?articlekey=10092
definition source: WEB: http://smschile.cl/documentos/cursos2010/MedicalClinicsNorthAmerica/Acute%20Symptoms%20of%20Drug%20Hypersensitivity%20%28Urticaria,%20Angioedema,%20Anaphylaxis,%20Anaphylactic%20Shock%29.pdf
definition: a circulatory AE that is a serious allergic reaction associated with systemic vasodilation that causes low blood pressure which is by definition 30% lower than the person's baseline or below standard values.
Chinese translation: 过敏性休克
definition source: WEB: http://en.wikipedia.org/wiki/Anaphylaxis
term editor: JX, LW, YH, RR
imported from: oae.owl

epigastric discomfort AE
type: Class
subclass of: discomfort AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000916
has_meddra_id: 10053155
term editor: JX, LW, YH
Chinese translation: 上腹部不适
definition source: WEB: http://www.rightdiagnosis.com/sym/epigastric_discomfort.htm
definition: Epigastric discomfort is a discomfort AE that shows discomfort in the upper central region of the abdomen.
alternative term: upper Abdominal discomfort AE
imported from: oae.owl

acute intravascular hemolysis AE
type: Class
subclass of: cardiovascular AE
definition: Acute intravascular hemolysis AE is a cardiovascular AE that has an outcome of disruption of red blood cells occurs while they are within blood vessels.
term editor: JX, LW, YH
Chinese translation: 急性血管内溶血
imported from: oae.owl

skin redness AE
type: Class
subclass of: erythema AE
definition: Skin redness AE is an erythema AE that is abnormal redness of the skin, often signaling a pathological condition, such as inflammation, infection, or sunburn.
term editor: JX, LW, YH
Chinese translation: 皮肤发红
definition source: WEB: http://www.healthline.com/health/skin-redness
imported from: oae.owl

hearing disorder AE
type: Class
subclass of: ear AE
has_meddra_id: 10019243
term editor: JX, LW, YH
definition: Hearing disorder AE is an ear disorder that shows impairment of the sense of hearing.
Chinese translation: 听觉障碍
imported from: oae.owl

increased defecation frequency AE
type: Class
subclass of: abnormal stool AE
definition: Increased defecation frequency AE is a abnormal stool AE that shows defecation number increased.
Chinese translation: 大便次数增加
term editor: JX, LW, YH
imported from: oae.owl

pain over the liver AE
type: Class
subclass of: pain AE
term editor: JX, LW, YH
Chinese translation: 肝区痛
definition: Pain over the liver AE is a pain AE that shows pain over the liver.
imported from: oae.owl

numbness of tongue AE
type: Class
subclass of: numbness AE
definition: Numbness of tongue AE is a numbness AE that shows abnormal feeling or loss of sensation in the tongue.
term editor: JX, LW, YH
Chinese translation: 舌部麻木
imported from: oae.owl

numbness of the limbs AE
type: Class
subclass of: numbness AE
term editor: JX, LW, YH
definition: Numbness of the limbs AE is a numbness AE that shows reduced or loss of sensation on the skin of the arm and leg.
Chinese translation: 肢体麻木
imported from: oae.owl

insomnia AE
type: Class
subclass of: sleep disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10022437
definition: a sleep disorder AE in which there is an inability to fall asleep or to stay asleep as long as desired.
see also: SIDER: C0917801
term editor: YH, MW
see also: HPO: HP_0002360
definition source: WEB: https://en.wikipedia.org/wiki/Insomnia
see also: CTCAE: E12925
comment: Insomnia is a symptom of a sleeping disorder characterized by persistent difficulty falling asleep or staying asleep despite the opportunity. Insomnia is a symptom, not a stand-alone diagnosis or a disease.
imported from: oae.owl

bleeding and coagulation disorders AE
type: Class
subclass of: hematopoietic system AE
term editor: JX, LW, YH
definition: Bleeding and coagulation disorders AE is a hematopoietic system AE that shows bleeding and coagulation disorders.
Chinese translation: 出凝血功能障碍
imported from: oae.owl

skin allergy AE
type: Class
subclass of: allergy AE
Chinese translation: 皮肤过敏
definition: an allergy AE that shows swelling and irritation of the skin, caused by an allergy to a substance in the environment.
term editor: JX, LW, YH
imported from: oae.owl

acousma AE
type: Class
subclass of: sensory capability AE
Chinese translation: 幻听
term editor: JX, LW, YH
definition: Acousma AE is a sensory capability AE that shows a hallucinatory impression of strange sounds.
imported from: oae.owl

obviously decreased blood pressure AE
type: Class
subclass of: hypotension AE
Chinese translation: 血压明显下降
term editor: JX, LW, YH
alternative term: significantly decreased blood pressure AE
definition: Obviously decreased blood pressure AE is a hypotension AE that shows obviously sustained low blood pressure at a level that is likely to result in cardiovascular disease and/or other pathological states.
imported from: oae.owl

proarrhythmic effect AE
type: Class
subclass of: arrhythmia AE
has_meddra_id: 10036766
definition: Proarrhythmic effect AE is an arrhythmia AE that is a new or more frequent occurrence of pre-existing arrhythmias, paradoxically precipitated by antiarrhythmic therapy, which means it is a side effect associated with the administration of some existing antiarrhythmic drugs, as well as drugs for other indications. In other words, it is a tendency of antiarrhythmic drugs to facilitate emergence of new arrhythmias.
definition source: WEB: http://en.wikipedia.org/wiki/Proarrhythmia
alternative term: arhythmia auxo-action AE
term editor: JX, LW, YH
Chinese translation: 致心律失常
imported from: oae.owl

low bone density AE
type: Class
subclass of: bone AE
has_meddra_id: 10049470
term editor: SJ, YH
definition source: WEB: http://nof.org/articles/9
definition: a bone disorder AE that has an outcome of low bone densityl, but not low enough to be considered osteoporosis
imported from: oae.owl

gaze palsy AE
type: Class
subclass of: palsy AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000970
has_meddra_id: 10056696
definition: A palsy AE that has a symmetric limitation of the movements of both eyes in the same direction.
definition source: WEB: http://one.aao.org/bcscsnippetdetail.aspx?id=f5a77965-de2a-4fb0-82fb-5f4089671ad6
term editor: JX, YH
imported from: oae.owl

menstrual disorder AE
type: Class
subclass of: female reproductive system AE
has_meddra_id: 10027327
definition: Menstrual disorder AE is an abnormal condition in a woman's menstrual cycle.
definition source: WEB: http://en.wikipedia.org/wiki/Menstrual_disorder
creator: JX, YH
imported from: oae.owl

cognitive disorder AE
type: Class
subclass of: psychiatric disorder AE
has_meddra_id: 10057668
definition: a psychiatric disorder AE that is a category of mental health disorders that primarily affect learning, memory, perception, and problem solving, and include amnesia, dementia, and delirium.
term editor: JX, YH
definition source: WEB: http://en.wikipedia.org/wiki/Cognitive_disorder
imported from: oae.owl

menstruation irregular AE
type: Class
subclass of: menstrual disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10022992
has_meddra_id: 10027339
definition: Menstruation irregular AE is a endocrine system AE that is an abnormal variation in length of menstrual cycles in a female.
see also: NCIt: C35219
alternative term: irregular menstruation AE
term editor: JX, YH, MW
definition source: WEB: http://en.wikipedia.org/wiki/Irregular_menstruation
see also: CTCAE: E13125
imported from: oae.owl

generalised tonic-clonic seizure AE
type: Class
subclass of: seizure AE
has_meddra_id: 10018100
definition source: WEB: http://en.wikipedia.org/wiki/Tonic%E2%80%93clonic_seizure
definition: Generalised tonic-clonic seizure AE is a seizure AE that is a type of generalized seizure that affects the entire brain. Tonic–clonic seizures are the seizure type most commonly associated with epilepsy and seizures in general, though it is a misconception that they are the only type.
term editor: JX, YH
imported from: oae.owl

cryptorchidism AE
type: Class
subclass of: male reproductive system AE
has_meddra_id: 10011498
definition: cryptorchidism AE is a male reproductive system AE which results in the absence of one or both testes from the scrotum.
definition source: WEB: http://en.wikipedia.org/wiki/Cryptorchidism
term editor: YH, SJ
alternative term: undescended testis
imported from: oae.owl

delusion AE
type: Class
subclass of: psychiatric disorder AE
has_meddra_id: 10012239
term editor: SJ, YH
definition source: WEB: http://www.merriam-webster.com/dictionary/delusion
definition: a psychiatric disorder AE that results in a persistent false psychotic belief regarding the self or objects outside the self that is maintained despite indisputable evidence to the contrary.
imported from: oae.owl

epileptic seizure AE
type: Class
subclass of: seizure AE
definition: a seizure AE that shows a brief episode of signs and/or symptoms due to abnormal excessive or synchronous neuronal activity in the brain.
Chinese translation: 癫痫
definition source: WEB: http://en.wikipedia.org/wiki/Epileptic_seizure
alternative term: epilepsy
term editor: JX, YH
imported from: oae.owl

cardiac function test abnormal AE
type: Class
subclass of: cardiovascular investigation result abnormal AE
has_meddra_id: 10058479
see also: UMLS CUI: C0438177
definition: a cardiovascular investigation result abnormal AE that results in an abnormal result on a test used to evaluate heart function
term editor: YH
definition source: WEB: http://www.drsinatra.com/heart-function-tests-to-assess-heart-disease-risk/
definition source: WEB: https://en.wikipedia.org/wiki/Cardiology_diagnostic_tests_and_procedures
imported from: oae.owl

injury or procedural complication AE
type: Class
subclass of: adverse event
alternative term: injury and procedural complication AE
definition: an adverse event that shows a result of injury or procedural complication.
term editor: JX, YH
imported from: oae.owl

testicular disorder AE
type: Class
subclass of: male reproductive system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10043306
definition: a male reproductive system AE that has involvement of the testis.
see also: CTCAE: E13215
see also: NCIt: C26890
term editor: MW, YH
imported from: oae.owl

euphoria AE
type: Class
subclass of: behavioral and neurological AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10015533
definition: a behavior and neurological AE that has an exaggerated feeling of well-being which is disproportionate to events and stimuli.
see also: CTCAE: E12915
term editor: MW, YH
see also: NCIt: C34598
imported from: oae.owl

oligospermia AE
type: Class
subclass of: male reproductive system AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
has_meddra_id: 10030300
definition: a male reproductive system AE that has a decrease in the number of spermatozoa in the semen.
see also: CTCAE: E13141
see also: NCIt: C34860
term editor: MW, YH
imported from: oae.owl

medical procedure
type: Class
subclass of: medical intervention
term editor: YH, SS
definition: a medical intervention that refers to any series of pre-defined steps that should be followed to achieve a desired result.
definition source: WEB: http://www.wisegeekhealth.com/what-is-the-difference-between-a-surgery-and-a-procedure.htm
imported from: oae.owl

behavior abnormal quality
type: Class
subclass of: behavioral quality
term editor: YH, JX
alternative term: a behavioral quality where the behavior in an organism is abnormal.
definition source: WEB: https://en.wikipedia.org/wiki/Abnormality_(behavior)
imported from: oae.owl

herpes viral infection AE
type: Class
subclass of: viral infection AE
has_meddra_id: 10019972
definition: a viral infection AE that is caused by a herpes virus. Note that there are 8 herpesvirus types.
definition source: WEB: https://en.wikipedia.org/wiki/Herpesviridae
term editor: YH, JX
imported from: oae.owl

coordination and balance disorder AE
type: Class
subclass of: Class
  intersection of: balance disorder AE
  intersection of: coordination abnormal AE
has_meddra_id: 10072984
term editor: YH, QL
alternative term: coordination and balance disturbance AE
definition: a cross product of coordination abnormal AE and balance disorder AE
imported from: oae.owl

aversion to greasy food AE
type: Class
subclass of: anorexia AE
subclass of: Restriction
  on property: has participant quality
  some values from: AE severity G1
definition: an anorexia AE that has loss of appetite of greasy food.
term editor: QL, YH
definition source: WEB: http://www.anxietycare.org.uk/docs/eating.asp
imported from: oae.owl

dysstasia AE
type: Class
subclass of: coordination and balance disorder AE
has_meddra_id: 10050218
term editor: YH, QL
definition: a coordination and balance disorder AE that has difficulty in standing
definition source: WEB: http://medical-dictionary.thefreedictionary.com/dysstasia
alternative term: dystasia AE
imported from: oae.owl

gastrorrhexis AE
type: Class
subclass of: rupture AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000945
term editor: QL, YH
definition source: WEB: http://medical-dictionary.thefreedictionary.com/gastrorrhexis
definition: a gastric disorder AE that shows an rupture in the stomach
alternative term: stomach rupture
imported from: oae.owl

rupture AE
type: Class
subclass of: injury AE
definition source: WEB: https://en.wikipedia.org/wiki/Rupture
term editor: YH. QL
definition: an injury AE that refers to break or burst suddenly (esp. of a pipe, a vessel, or a bodily part such as an organ or membrane)
imported from: oae.owl

acute gastric mucosal lesion AE
type: Class
subclass of: gastric disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
    union of: AE severity G3
    union of: AE severity G4
    union of: AE severity G5
has_meddra_id: 10000753
alternative term: AGML AE
definition source: WEB: http://medmantic.com/wiki/Acute_Gastric_Mucosal_Lesion
Chinese translation: 急性胃黏膜损害
definition: a gastric disorder AE that shows the body under stress, causing acute erosion, bleeding and ulcers, stomach or duodenal mucosa damage collectively. The main clinical manifestations include upper gastrointestinal bleeding and a small perforation.
term editor: QL, YH
imported from: oae.owl

bowel sounds increased AE
type: Class
subclass of: bowel sounds abnormal AE
has_meddra_id: 10048720
term editor: QL, YH
definition: a bowel sounds abnormal AE that shows an increased amount of bowel sounds.
Chinese translation: hyperactive bowel sounds AE
Chinese translation: 肠鸣音亢进
see also: UMLS CUI: C0232694
definition source: WEB: https://www.nlm.nih.gov/medlineplus/ency/article/003137.htm
imported from: oae.owl

bowel sounds abnormal AE
type: Class
subclass of: gastrointestinal disorder AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000160
definition source: WEB: https://www.nlm.nih.gov/medlineplus/ency/article/003137.htm
see also: UMLS CUI: C0159060
Chinese translation: 肠鸣音异常
term editor: QL, YH
definition: a gastrointestinal disorder AE that shows an abnormal amount of bowel sounds.
imported from: oae.owl

hyperacusia AE
type: Class
subclass of: hearing disorder AE
has_meddra_id: 10052526
definition source: WEB: https://en.wikipedia.org/wiki/Hyperacusis
definition: a hearing disorder AE with an abnormally disproportionate increase in the sensation of loudness in response to auditory stimuli of normal volume
term editor: QL, YH
Chinese translation: 听觉过敏
imported from: oae.owl

lumbago AE
type: Class
subclass of: back pain AE
definition: a back pain AE that occurs at the low back
definition source: WEB: https://en.wikipedia.org/wiki/Low_back_pain
alternative term: low back pain AE
Chinese translation: 腰痛
term editor: QL, YH
Chinese translation: 下背痛
imported from: oae.owl

kidney area percussion pain AE
type: Class
subclass of: pain AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0002113
subclass of: Restriction
  on property: immediately_preceded_by
  some values from: percussion procedure
comment: a pain AE that shows the pain in the kidney area identified by a percussion procedure.
Chinese translation: 肾区叩击痛
term editor: QL, YH
definition source: URL http://howshealth.com/kidney-pain-location-causes-symptoms-treatment/#percussion
imported from: oae.owl

physical examination
type: Class
subclass of: medical procedure
has_meddra_id: 10071941
definition: a medical procedure by which a medical professional investigates the body of a patient for signs of disease.
term editor: QL, YH
definition source: WEB: http://www.webmd.com/a-to-z-guides/annual-physical-examinations
definition source: WEB: https://en.wikipedia.org/wiki/Physical_examination
imported from: oae.owl

percussion procedure
type: Class
subclass of: physical examination
has_meddra_id: 10051720
definition: a physical test by which a surface is tapped to determine the underlying structure, and is used in clinical examinations to assess the condition of the thorax or abdomen.
alternative term: percussion test
term editor: QL, YH
definition source: WEB: https://en.wikipedia.org/wiki/Percussion_(medicine)
imported from: oae.owl

cylindruria AE
type: Class
subclass of: urine analysis result abnormal AE
has_meddra_id: 10011730
has_meddra_id: 10067534
Chinese translation: 管型尿
term editor: QL, YH
definition: a urine analysis result abnomal AE that shows cylindrical structures produced by the kidney and present in the urine.
definition source: WEB: http://medical-dictionary.thefreedictionary.com/cylindruria
alternative term: urinary casts present AE
imported from: oae.owl

visual disturbance AE
type: Class
subclass of: eye AE
has_meddra_id: 10047543
definition: an eye disorder AE that causes visual disturbance and interfere with normal sight.
definition source: WEB: http://www.healthline.com/symptom/visual-disturbance
term editor: JX, YH
imported from: oae.owl

eye edema AE
type: Class
subclass of: edema AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0000970
has_meddra_id: 10052139
definition: an edema AE that has an outcome of swelling in the eye.
term editor: JX, YH
imported from: oae.owl

feces pale AE
type: Class
subclass of: abnormal stool AE
has_meddra_id: 10016102
definition: an abnormal stool AE that shows pale or clay-colored stool.
alternative term: faeces pale AE
definition source: WEB: http://www.healthline.com/symptom/pale-stools
Chinese translation: 大便苍白
term editor: JX, YH
imported from: oae.owl

hypomenorrhea AE
type: Class
subclass of: menstrual disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: AE severity G3
has_meddra_id: 10021032
definition source: WEB: https://en.wikipedia.org/wiki/Hypomenorrhea
alternative term: hypomenorrhoea AE
Chinese translation: 月经减少
term editor: QL, YH
definition: a menstrual disorder AE that shows an extremely light menstrual blood flow
imported from: oae.owl

necrospermia AE
type: Class
subclass of: male reproductive system AE
has_meddra_id: 10074729
see also: MP: MP_0009325
term editor: QL, YH
definition source: WEB: https://en.wikipedia.org/wiki/Necrospermia
definition: a male reproductive system AE in which spermatozoa in seminal fluid are dead or motionless
Chinese translation: 死精
imported from: oae.owl

subfertility AE
type: Class
subclass of: reproductive system AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000310
has_meddra_id: 10042391
definition source: WEB: https://en.wikipedia.org/wiki/Infertility
term editor: JX, LW, YH
see also: MP: MP_0001921
definition: a reproductive system AE that results in diminished ability to produce live offspring
Chinese translation: 生育能力下降
imported from: oae.owl

infertility AE
type: Class
subclass of: reproductive system AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000310
has_meddra_id: 10021926
Chinese translation: 不孕不育
term editor: QL, YH
definition source: WEB: http://www.mayoclinic.org/diseases-conditions/infertility/basics/definition/con-20034770
see also: MP: MP_0001921
definition: a reproductive system AE that results in an inability to conceive for at least one year after trying and having unprotected sex.
imported from: oae.owl

low estrogen level AE
type: Class
subclass of: endocrine investigation result abnormal AE
has_meddra_id: 10015519
definition source: WEB: http://www.md-health.com/Low-Estrogen.html
alternative term: hypoestrogenism AE
Chinese translation: 性激素水平下降
alternative term: estrogen deficiency AE
term editor: QL, YH
definition: an endocrine investigation result abnormal AE that is characterized by a lower than normal level of estrogen, the primary sex hormone in women
definition source: WEB: https://en.wikipedia.org/wiki/Hypoestrogenism
imported from: oae.owl

dysfunctional uterine bleeding AE
type: Class
subclass of: hemorrhage AE
subclass of: Restriction
  on property: occurs in
  some values from: UBERON_0000995
has_meddra_id: 10013908
term editor: QL, YH
Chinese translation: 功能性子宫出血
definition source: WEB: http://emedicine.medscape.com/article/257007-overview
see also: MESH: D008796
definition: a hemorrhage AE that occurs at the uterus, but it is not related to menstruation. The irregular and unpredictable bleeding usually comes from a dysfunctional endometrium.
imported from: oae.owl

testicular atrophy AE
type: Class
subclass of: testicular disorder AE
subclass of: Restriction
  on property: has participant quality
  some values from: AE severity G2
has_meddra_id: 10043298
Chinese translation: 睾丸萎缩
definition source: WEB: https://en.wikipedia.org/wiki/Testicular_atrophy
term editor: QL, YH
definition: a testicular disorder AE that has a loss of testicular volume
imported from: oae.owl

pure red cell aplasia AE
type: Class
subclass of: aplastic anaemia AE
alternative term: red-cell aplasia, pure
alternative term: PRCA AE
term editor: QL, YH
definition source: WEB: http://emedicine.medscape.com/article/205695-overview
see also: MESH: D012010
definition: an aplastic anemia AE that results in the suppression of erythropoiesis with little or no abnormality of leukocyte or platelet production.
Chinese translation: 纯红再障性贫血
imported from: oae.owl

allergic cutaneous vasculitis AE
type: Class
subclass of: cutaneous vasculitis AE
term editor: QL, YH
definition source: WEB: https://www.nlm.nih.gov/medlineplus/ency/article/000874.htm
see also: DO: DOID_11450
definition: a cutaneous vasculitis AE that results in inflammation of small blood vessels, characterized clinically by palpable purpura, which is a slightly elevated purpuric rash over one or more areas of the kin.
Chinese translation: 皮肤变应性血管炎
imported from: oae.owl

melanoplakia AE
type: Class
subclass of: skin hyperpigmentation AE
subclass of: Restriction
  on property: has participant quality
  some values from: Class
    union of: AE severity G1
    union of: AE severity G2
see also: SNOMEDCT: 84647002
definition: a skin hyperpigmentation AE that shows the occurrence of pigmented patches on the tongue and buccal mucousmembranes.
definition source: WEB: http://www.medilexicon.com/medicaldictionary.php?t=53725
Chinese translation: 皮肤黑斑病
term editor: QL, YH
imported from: oae.owl

erythema nodosum AE
type: Class
subclass of: erythema AE
has_meddra_id: 10015226
Chinese translation: 结节性红斑
definition: an erythema AE that showns an erythematous eruption characterized by inflammatory nodules that are usually tender, multiple, and bilateral. Such a symptom is commonly associated with drug reactions or infection.
definition source: WEB: https://en.wikipedia.org/wiki/Erythema_nodosum
alternative term: erythemanodosum AE
term editor: QL, YH
see also: HPO: HP_0012219
see also: MeSH: D004893
imported from: oae.owl

tonic spasm AE
type: Class
subclass of: muscle spasm AE
term editor: QL, YH
definition source: WEB: http://medical-dictionary.thefreedictionary.com/tonic+spasm
Chinese translation: 强直性痉挛
definition: a muscle spasm AE that occurs when the contraction of a spasm is sustained or continuing. Such a spasm is generally severe because is is often caused by diseases that affect the central nervous system or brain, such as tetanus, rabies, and cerebral palsy.
imported from: oae.owl

premature ovarian failure AE
type: Class
subclass of: female reproductive system AE
see also: DO: DOID_5426
definition: a female reproductive system AE that occurs at the ovaries where ovaries do not produce estrogen despite high levels of circulating gonadotropins in women under 40.
definition source: WEB: https://www.nlm.nih.gov/medlineplus/prematureovarianfailure.html
definition source: WEB: http://www.mayoclinic.org/diseases-conditions/premature-ovarian-failure/basics/definition/con-20028351
alternative term: primary ovarian insufficiency AE
term editor: QL, YH
Chinese translation: 卵巢早衰
imported from: oae.owl

skin erosion AE
type: Class
subclass of: skin AE
has_meddra_id: 10040840
term editor: QL, YH
see also: HP: HP_0200041
definition: a skin adverse event that has an outcome of a discontinuity of the skin exhibiting incomplete loss of the epidermis, a lesion that is moist, circumscribed, and usually depressed.
imported from: oae.owl

arrest of hematopoiesis AE
type: Class
subclass of: hematopoietic system AE
Chinese translation: 造血功能障碍
term editor: QL, YH
definition source: WEB: https://en.wikipedia.org/wiki/Haematopoiesis
definition: a hematopoietic system AE that has an outcome of an arrest of the formation of blood cellular components.
imported from: oae.owl

acute arrest of hematopoiesis AE
type: Class
subclass of: arrest of hematopoiesis AE
definition: an arrest of hematopoiesis AE that occurs quickly
Chinese translation: 急性造血功能障碍
definition source: WEB: https://en.wikipedia.org/wiki/Haematopoiesis
term editor: QL, YH
imported from: oae.owl

palsy AE
type: Class
subclass of: paralysis AE
subclass of: Restriction
  on property: adverse event occurs in
  some values from: UBERON_0002385
definition: A paralysis AE accompanied by involuntary tremors.
Chinese translation: 麻痹
term editor: KY, YH
definition source: WEB: https://en.oxforddictionaries.com/definition/palsy
definition source: WEB: https://en.wikipedia.org/wiki/Palsy
imported from: oae.owl

optic hyperesthesia AE
type: Class
subclass of: hyperesthesia AE
Chinese translation: 光过敏
term editor: YH, Jiahao Wang
definition source: WEB: http://medical-dictionary.thefreedictionary.com/optic+hyperesthesia
definition: A hyperaesthesia AE that occurs at the optic area, reflected by an abnormal sensitivity to light.
imported from: oae.owl

asphyxia AE
type: Class
subclass of: abnormal respiration AE
has_meddra_id: 10003497
has_meddra_id: 10003502
Chinese translation: 窒息
definition: An abnormal respiration AE that shows a severely deficient supply of oxygen to the body that arises from abnormal breathing.
definition source: WEB: https://en.wikipedia.org/wiki/Asphyxia
alternative term: asphyxiation AE
term editor: YH, Jiahao Wang
imported from: oae.owl

myotonia AE
type: Class
subclass of: muscle AE
has_meddra_id: 10061533
Chinese translation: 肌强直
definition source: WEB: https://en.wikipedia.org/wiki/Myotonia
definition: An muscle AE showing delayed relaxation (prolonged contraction) of the skeletal muscles after voluntary contraction or electrical stimulation
term editor: YH, Jiahao Wang
imported from: oae.owl

neck myotonia AE
type: Class
subclass of: myotonia AE
definition: An myotonia AE that occurs in the neck.
term editor: YH, Jiahao Wang
definition source: WEB: https://en.wikipedia.org/wiki/Myotonia
Chinese translation: 颈项强直
imported from: oae.owl

planned process
type: Class
subclass of: process
editor note: 'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)
curator notes: 6/11/9: Edited at workshop. Used to include: is initiated by an agent
term editor: Bjoern Peters
example of usage: Injecting mice with a vaccine in order to test its efficacy
editor note: We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some objectives is a planned process.
definition source: branch derived
imported from: http://purl.obolibrary.org/obo/obi.owl
definition: A processual entity that realizes a plan which is the concretization of a plan specification.
curator notes: This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)
editor preferred term: planned process
has curation status: IAO_0000122
imported from: dron.owl
imported from: oae.owl
imported from: vo.owl

scattered molecular aggregate
type: Class
subclass of: object aggregate
editor preferred term: scattered molecular aggregate
example of usage: the sodium and chloride ions in a glass of salt water
definition: A scattered molecular aggregate is a material entity that consists of all the molecules of a specific type that are located in some bounded region and which is part of a more massive material entity that has parts that are other such aggregates
alternative term: Collective
definition source: Discussion in Karslruhe with, among others, Alan Rector, Stefan Schulz, Marijke Keet, Melanie Courtot, and Alan Ruttenberg. With inspiration from the paper Granularity, scale and collectivity: When size does and does not matter, Alan Recto, Jeremy Rogers, Thomas Bittner, Journal of Biomedical Informatics 39 (2006) 333-349
term editor: PERSON: Alan Ruttenberg
has curation status: IAO_0000123
imported from: dron.owl

organism
type: Class
subclass of: object
editor note: 10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms')
editor note: 13-02-2009: OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. This issue is outside the scope of OBI.
term editor: GROUP: OBI Biomaterial Branch
imported from: http://purl.obolibrary.org/obo/obi.owl
definition: A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs.
definition source: WEB: http://en.wikipedia.org/wiki/Organism
example of usage: animal
example of usage: fungus
editor preferred term: organism
example of usage: plant
example of usage: virus
has curation status: IAO_0000122
imported from: dron.owl

bodily process
type: Class
subclass of: process
term editor: Albert Goldfain
curator notes: creation date: 2009-06-23T11:53:49Z
imported from: oae.owl
imported from: ogms.owl

pathological bodily process
type: Class
subclass of: bodily process
term editor: Albert Goldfain
definition source: http://ontology.buffalo.edu/medo/Disease_and_Diagnosis.pdf
definition: A bodily process that is clinically abnormal.
curator notes: creation date: 2009-06-23T11:54:29Z
imported from: oae.owl
imported from: ogms.owl

treatment
type: Class
subclass of: planned process
imported from: http://purl.obolibrary.org/obo/ogms.owl
curator notes: creation date: 2010-03-31T04:51:11Z
definition source: http://code.google.com/p/ogms/issues/detail
definition: A processual entity whose completion is hypothesized (by a healthcare provider) to alleviate the signs and symptoms associated with a disorder
term editor: Albert Goldfain
imported from: dron.owl

behavioral quality
type: Class
subclass of: organismal quality
definition: An organismal quality inhering in a bearer by virtue of the bearer's behavior aggregate of the responses or reactions or movements in a given situation.
id: PATO:0000186
has_alternative_id: PATO:0001722
has_exact_synonym: behavioural quality
has_obo_namespace: quality
imported from: oae.owl
imported from: pato.owl

physical quality
type: Class
subclass of: physical object quality
definition: A quality of a physical entity that exists through action of continuants at the physical level of organisation in relation to other entities.
id: PATO:0001018
has_alternative_id: PATO:0002079
database_cross_reference: Wikipedia:Physical_property
has_obo_namespace: quality
has_exact_synonym: relational physical quality
imported from: oae.owl
imported from: pato.owl
in_subset: attribute slim

process quality
type: Class
subclass of: quality
definition: A quality which inheres in an process.
id: PATO:0001236
has_alternative_id: PATO:0001239
has_alternative_id: PATO:0001240
comment: See comments of relational quality of a physical entity.
has_obo_namespace: quality
has_exact_synonym: quality of a process
has_exact_synonym: quality of occurrent
has_exact_synonym: quality of process
has_exact_synonym: relational quality of occurrent
imported from: oae.owl
imported from: pato.owl

physical object quality
type: Class
subclass of: quality
definition: A quality which inheres in a continuant.
has_alternative_id: PATO:0001237
has_alternative_id: PATO:0001238
id: PATO:0001241
comment: Relational qualities are qualities that hold between multiple entities. Normal (monadic) qualities such as the shape of a eyeball exist purely as a quality of that eyeball. A relational quality such as sensitivity to light is a quality of that eyeball (and connecting nervous system) as it relates to incoming light waves/particles.
has_exact_synonym: monadic quality of a continuant
has_narrow_synonym: monadic quality of an object
has_narrow_synonym: monadic quality of continuant
has_exact_synonym: multiply inhering quality of a physical entity
has_obo_namespace: quality
has_exact_synonym: quality of a continuant
has_exact_synonym: quality of a single physical entity
has_exact_synonym: quality of an object
has_exact_synonym: quality of continuant
database_cross_reference: snap:Quality
imported from: oae.owl
imported from: pato.owl

organismal quality
type: Class
subclass of: physical object quality
definition: A quality that inheres in an entire organism or part of an organism.
id: PATO:0001995
has_obo_namespace: quality
imported from: oae.owl
imported from: pato.owl

bark
type: Class
subclass of: PO_0009007
definition: A portion of plant tissue (PO:0009007) outside the vascular cambium (PO:0005598) or the xylem (PO:0005352); in older trees may be divided into dead outer bark and living inner bark, which consists of secondary phloem (PO:0005043).
id: PO:0004518
has exact synonym: corteza (Spanish, exact)
has OBO namespace: plant_anatomy
has exact synonym: portion of bark tissue (exact)
has exact synonym: 樹皮 (Japanese, exact)
imported from: po.owl
in subset: TraitNet

root epidermis
type: Class
subclass of: PO_0009007
definition: A portion of epidermis (PO:0005679) that is part of a root (PO:0009005).
id: PO:0006036
has alternative id: PO:0006037
has db xref: PO_GIT:111
comment: The root epidermis is different from the shoot epidermis in its origin, function and structure.
has related synonym: epiblem (related)
has exact synonym: epidermis de la ra&#237z (Spanish, exact)
has OBO namespace: plant_anatomy
has related synonym: rhizodermis (related)
has exact synonym: 根表皮 (Japanese, exact)
imported from: po.owl

fruit
type: Class
subclass of: PO_0025496
comment: A fruit (PO:0009001) may contain additional plant structures (PO:0009011) that were part of a flower (PO:0009046) and mature along with the gynoecium, such as a receptacle (PO:0009064). A fruit may develop without fertilization in cases of parthenocarpy, apomixis, or other hormone-induced conditions and may not always contain seeds (PO:0009010). When annotating to fruit (PO:0009001) that are referred to as ‘aggregate’, ‘multiple’, or ‘compound’, please annotate directly to the appropriate plant structure, such as receptacle, hypanthium (PO:0009065) or infructescence (PO:0006342). Fruits only occur in angiosperms.
definition: A multi-tissue plant structure (PO:0025496) that develops from a gynoecium (PO:0009062), or a single carpel (PO:0009030), and at maturity may have as parts one or more seeds (PO:0009010).
id: PO:0009001
has alternative id: PO:0020067
has alternative id: PO:0020068
has alternative id: PO:0020069
has alternative id: PO:0020070
has alternative id: PO:0020071
has alternative id: PO:0020072
has alternative id: PO:0020073
has alternative id: PO:0020074
has alternative id: PO:0020076
has alternative id: PO:0020077
has alternative id: PO:0020078
has alternative id: PO:0020079
has alternative id: PO:0020080
has alternative id: PO:0020082
has alternative id: PO:0020083
has alternative id: PO:0020087
has alternative id: PO:0020107
has db xref: PO_GIT:76
has broad synonym: aggregate fruit (broad)
has narrow synonym: coenocarp (narrow)
has broad synonym: compound fruit (broad)
has broad synonym: dehiscent fruit (broad)
has broad synonym: diaspore (broad)
has exact synonym: frucht (exact, German)
has exact synonym: fruto (exact, Spanish)
has broad synonym: indehiscent fruit (broad)
has broad synonym: multiple fruit (broad)
has OBO namespace: plant_anatomy
has broad synonym: propagule (broad)
has narrow synonym: syncarp (narrow)
has exact synonym: 果実 (exact, Japanese)
imported from: po.owl
in subset: Angiosperm
in subset: Arabidopsis
in subset: Maize
in subset: Poaceae
in subset: Rice
in subset: TraitNet

root
type: Class
subclass of: PO_0025004
definition: A plant axis (PO:0025004) that lacks shoot axis nodes (PO:0005004) and usually grows indeterminately.
has alternative id: PO:0003006
id: PO:0009005
has db xref: PO_GIT:578
comment: Roots function in the absorption of water and inorganic nutrients, anchoring the plant body to the substrate and supporting it, storage of food and nutrients, and vegetative reproduction. The roots of most vascular plant species enter into symbiosis with soil-borne microorganisms. Roots are usually positively geotropic and found underground, although there are many exceptions such as the aerial roots of orchids. Roots often form secondary thickening from the root lateral meristem (PO:0006308). Commonly thought of as one of the three basic parts of the plant body, along with the shoot axis (PO:0025029) and leaves (PO:0025034).
has narrow synonym: aerial root (narrow)
has narrow synonym: climbing root (narrow)
has OBO namespace: plant_anatomy
has exact synonym: ra&#237z (Spanish, exact)
has exact synonym: radices (exact, plural)
has exact synonym: radix (exact)
has exact synonym: 根 (Japanese, exact)
imported from: po.owl
in subset: Angiosperm
in subset: Gymnosperms
in subset: Maize
in subset: Musa
in subset: Potato
in subset: Rice
in subset: Tomato
in subset: TraitNet
in subset: reference