Microbial Conditions Ontology contains terms to describe growth conditions in microbiological experiments. The first version is based on gene regulation experiments in Escherichia coli K-12. It is being used in RegulonDB to link growth conditions to gene regulation data.
Citlalli Mejía Almonte
Víctor Tierrafría
Manuel Camacho
Socorro Castro Gama
Julio Collado Vides
composition
composition source
synonym
description
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.
Really of interest to developers only
BFO OWL specification label
Relates an entity in the ontology to the term that is used to represent it in the the CLIF specification of BFO2
Person:Alan Ruttenberg
Really of interest to developers only
BFO CLIF specification label
editor preferred label
editor preferred label
editor preferred term
editor preferred term
editor preferred term~editor preferred label
The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English)
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
editor preferred label
editor preferred label
editor preferred term
editor preferred term
editor preferred term~editor preferred label
example
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
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.
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
example of usage
example of usage
has curation status
PERSON:Alan Ruttenberg
PERSON:Bill Bug
PERSON:Melanie Courtot
OBI_0000281
has curation status
has curation status
definition
definition
textual definition
English language definitions of what NCI means by the concept. These are limited to 1024 characters. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software.
The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
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.
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
DEFINITION
definition
definition
textual definition
English language definitions of what NCI means by the concept. These are limited to 1024 characters. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software.
NCI
DEFINITION
PT
NCI
editor note
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.
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obfoundry.org/obo/obi>
IAO:0000116
uberon
editor_note
true
editor_note
IAO:0000116
uberon
editor_note
true
editor_note
editor note
editor note
definition editor
term editor
Name of editor entering the definition in the file. The definition editor is a point of contact for information regarding the term. The definition editor may be, but is not always, the author of the definition, which may have been worked upon by several people
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
20110707, MC: label update to term editor and definition modified accordingly. See http://code.google.com/p/information-artifact-ontology/issues/detail?id=115.
20110707, MC: label update to term editor and definition modified accordingly. See https://github.com/information-artifact-ontology/IAO/issues/115.
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
definition editor
definition editor
term editor
term editor
alternative term
An alternative name for a class or property which means the same thing as the preferred name (semantically equivalent)
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
alternative term
alternative term
definition source
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
PERSON:Daniel Schober
Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
definition source
definition source
curator note
An administrative note of use for a curator but of no use for a user
PERSON:Alan Ruttenberg
IAO:0000232
uberon
curator_notes
true
curator_notes
curator note
curator notes
imported from
For external terms/classes, the ontology from which the term was imported
PERSON:Alan Ruttenberg
PERSON:Melanie Courtot
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
imported from
elucidation
person:Alan Ruttenberg
Person:Barry Smith
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
elucidation
has associated axiom(nl)
Person:Alan Ruttenberg
Person:Alan Ruttenberg
An axiom associated with a term expressed using natural language
has associated axiom(nl)
has associated axiom(fol)
Person:Alan Ruttenberg
Person:Alan Ruttenberg
An axiom expressed in first order logic using CLIF syntax
has associated axiom(fol)
has axiom label
A property created to allow the source NICHD to assign a parent to each concept with the intent of creating a hierarchy that includes only terms in which they are the contributing source.
A11
Conceptual Entity
Has_NICHD_Parent
Has_NICHD_Parent
Has_NICHD_Parent
A property created to allow the source NICHD to assign a parent to each concept with the intent of creating a hierarchy that includes only terms in which they are the contributing source.
NCI
Has_NICHD_Parent
PT
NCI
Used to associate the concept defining a particular terminology subset with concepts that belong to this subset.
A8
Conceptual Entity
Concept Is In Subset
Concept_In_Subset
Concept_In_Subset
Concept_In_Subset
Used to associate the concept defining a particular terminology subset with concepts that belong to this subset.
NCI
Concept_In_Subset
PT
NCI
true
NHC0
code
code
code
code
PT
The semantic type describes the sort of thing or category to which a concept belongs in the context of the UMLS semantic network.
P106
Conceptual Entity
Semantic Type
Semantic_Type
In general, applying semantic types aids in allowing users (or computer programs) to draw conclusions about concepts by virtue of the categories to which they have been assigned. We use a set of semantic types developed for the UMLS Metathesaurus. There are currently 134 semantic types in the UMLS.
Semantic_Type
Semantic_Type
The semantic type describes the sort of thing or category to which a concept belongs in the context of the UMLS semantic network.
NCI
Semantic_Type
PT
NCI
Provides an alternative Preferred Name for use in some NCI systems.
P107
Conceptual Entity
Display Name
Display_Name
Display Name
Display_Name
Display_Name
Provides an alternative Preferred Name for use in some NCI systems.
NCI
Display Name
SY
NCI
Display_Name
PT
NCI
The word or phrase that NCI uses by preference to refer to the concept.
P108
Conceptual Entity
Preferred Name
Preferred_Name
Preferred Name
Preferred Term
Preferred_Name
Preferred_Name
The word or phrase that NCI uses by preference to refer to the concept.
NCI
Preferred Name
SY
NCI
Preferred Term
SY
NCI
Preferred_Name
PT
NCI
Concept Unique Identifiers, or CUIs, are concept numbers assigned by the National Library of Medicine (NLM). If a concept in any NCI-maintained knowledgebase exists in the NLM Unified Medical Language System (UMLS), NCI includes the NLM CUI among the information we provide about the concept.
P207
Conceptual Entity
UMLS CUI
UMLS_CUI
UMLS_CUI
UMLS_CUI
Concept Unique Identifiers, or CUIs, are concept numbers assigned by the National Library of Medicine (NLM). If a concept in any NCI-maintained knowledgebase exists in the NLM Unified Medical Language System (UMLS), NCI includes the NLM CUI among the information we provide about the concept.
NCI
UMLS_CUI
PT
NCI
Contains the FDA Unique Ingredient Identifier, a key component of the new federal drug information model.
P319
Conceptual Entity
FDA UNII Code
FDA_UNII_Code
FDA_UNII_Code
FDA_UNII_Code
Contains the FDA Unique Ingredient Identifier, a key component of the new federal drug information model.
NCI
FDA_UNII_Code
PT
NCI
This property is used to indicate when a non-EVS entity has contributed to, and has a stake in, a concept. This is used where such entities, within or outside NCI, have indicated the need to be able to track their own concepts. A single concept can have multiple instances of this property if multiple entities have such a defined stake.
P322
Conceptual Entity
Contributing Source
Contributing_Source
Contributing_Source
Contributing_Source
This property is used to indicate when a non-EVS entity has contributed to, and has a stake in, a concept. This is used where such entities, within or outside NCI, have indicated the need to be able to track their own concepts. A single concept can have multiple instances of this property if multiple entities have such a defined stake.
NCI
Contributing_Source
PT
NCI
English language definitions of what a source other than NCI means by the concept. These are limited to 1024 characters. They include information about the definition's source in a form that can easily be interpreted by software.
P325
Conceptual Entity
[source] Definition
ALT_DEFINITION
ALT_DEFINITION
ALT_DEFINITION
English language definitions of what a source other than NCI means by the concept. These are limited to 1024 characters. They include information about the definition's source in a form that can easily be interpreted by software.
NCI
ALT_DEFINITION
PT
NCI
The NCBI_Taxon_ID property is used to establish correspondence between the NCI Thesaurus concept representing a taxon (species) and the NCBI/NLM Species Taxonomy ID assigned by the NCBI to that taxon.
P331
Conceptual Entity
NCBI Taxon ID
NCBI_Taxon_ID
NCBI_Taxon_ID
NCBI_Taxon_ID
The NCBI_Taxon_ID property is used to establish correspondence between the NCI Thesaurus concept representing a taxon (species) and the NCBI/NLM Species Taxonomy ID assigned by the NCBI to that taxon.
NCI
NCBI_Taxon_ID
PT
NCI
true
A retired unique concept identifier created and stored as Concept Name by legacy EVS software. Use of these values was long discouraged, but continued as late as 2009 when creation of new values ceased and Concept Name was retired. Legacy values are intended solely to help resolve and update earlier coding.
P366
Conceptual Entity
Legacy Concept Name
Legacy Concept Name
Legacy_Concept_Name
A retired unique concept identifier created and stored as Concept Name by legacy EVS software. Use of these values was long discouraged, but continued as late as 2009 when creation of new values ceased and Concept Name was retired. Legacy values are intended solely to help resolve and update earlier coding.
NCI
Legacy Concept Name
PT
NCI
P371
Conceptual Entity
NICHD_Hierarchy_Term
NICHD
NICHD_Hierarchy_Term
NICHD_Hierarchy_Term
NICHD_Hierarchy_Term
PT
NCI
Design notes are notations made by NCI vocabulary curators. They are intended to provide supplemental, unstructured information to the user or additional insight about the concept.
P98
Conceptual Entity
DesignNote
DesignNote
DesignNote
DesignNote
Design notes are notations made by NCI vocabulary curators. They are intended to provide supplemental, unstructured information to the user or additional insight about the concept.
NCI
DesignNote
PT
NCI
RO:0002604
quality
is_opposite_of
true
true
is_opposite_of
is opposite_of
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'.
UBPROP:0000007
uberon
has_relational_adjective
true
has_relational_adjective
has_relational_adjective
Notes on the how instances of this class vary across species.
UBPROP:0000008
uberon
taxon_notes
true
taxon_notes
taxon_notes
Notes on the how instances of this class vary across species.
Notes on how similar or equivalent classes are represented in other ontologies.
This annotation property may be replaced with an annotation property from an external ontology such as IAO
UBPROP:0000012
uberon
external_ontology_notes
true
external_ontology_notes
external_ontology_notes
Notes on how similar or equivalent classes are represented in other ontologies.
Description may include but is not limited to: an abstract,
table of contents, reference to a graphical representation
of content or a free-text account of the content.
An account of the content of the resource.
Description
Description
The present resource may be derived from the Source resource
in whole or in part. Recommended best practice is to reference
the resource by means of a string or number conforming to a
formal identification system.
A reference to a resource from which the present resource
is derived.
Source
Source
has_alternative_id
has_broad_synonym
database_cross_reference
Fully qualified synonym, contains the string, term type, source, and an optional source code if appropriate. Each subfield is deliniated to facilitate interpretation by software.
FULL_SYN
Synonym with Source Data
has exact synonym
has_exact_synonym
Fully qualified synonym, contains the string, term type, source, and an optional source code if appropriate. Each subfield is deliniated to facilitate interpretation by software.
NCI
FULL_SYN
PT
NCI
Synonym with Source Data
SY
NCI
has_narrow_synonym
has_obo_namespace
has_related_synonym
in_subset
shorthand
label
label
BFO:0000051
chebi_ontology
has_part
false
has_part
has part
RO:0000087
chebi_ontology
has_role
false
false
has_role
has role
c has-biological-role r iff c has-role r and r is a biological role (CHEBI:24432)
has biological role
chebi_ontology
has_functional_parent
false
false
has functional parent
chebi_ontology
has_parent_hydride
false
false
has parent hydride
chebi_ontology
is_conjugate_acid_of
true
false
is conjugate acid of
chebi_ontology
is_conjugate_base_of
true
false
is conjugate base of
chebi_ontology
is_enantiomer_of
true
false
is enantiomer of
chebi_ontology
is_substituent_group_from
false
false
is substituent group from
chebi_ontology
is_tautomer_of
true
is tautomer of
has biological role in Escherichia coli
a relation between a continuant and a treatment, in which the continuant is a necessary component of the treatment
used in treatment
a relation between a continuant and a treatment, in which the continuant is a necessary component of the treatment, specifically in Escherichia coli experiments
used in Escherichia coli treatment
a relation between a culture medium and an organism, in wich the culture medium contains the minimal necessities for growth of the wild-type of that organism and contains only inorganic salts, a carbon source for that organism, and water.
is minimal medium for
a relation between a culture medium and an organism, in which the medium contains all the elements that the specific organism needs for growth and is non-selective, so it is used for the general cultivation and maintenance of the organism kept in laboratory culture collections
is rich medium for
entity
Entity
Julius Caesar
Verdi’s Requiem
the Second World War
your body mass index
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
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
An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])
entity
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
per discussion with Barry Smith
An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])
continuant
Continuant
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.
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
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
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])
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])
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])
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])
(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]
(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]
(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]
(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]
continuant
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
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])
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])
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])
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])
(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]
(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]
(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]
(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]
occurrent
Occurrent
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
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.
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.
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.
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])
Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])
b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])
(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]
(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]
occurrent
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.
per discussion with Barry Smith
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.
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])
Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])
b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])
(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]
(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]
ic
IndependentContinuant
a chair
a heart
a leg
a molecule
a spatial region
an atom
an orchestra.
an organism
the bottom right portion of a human torso
the interior of your mouth
A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
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])
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])
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])
(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]
(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]
(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]
independent continuant
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])
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])
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])
(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]
(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]
(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]
s-region
SpatialRegion
BFO 2 Reference: Spatial regions do not participate in processes.
Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional.
A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])
All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])
(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001]
(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001]
spatial region
Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional.
per discussion with Barry Smith
A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])
All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])
(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001]
(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001]
t-region
TemporalRegion
Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional
A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])
All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])
Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])
(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002]
(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001]
(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001]
temporal region
Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional
per discussion with Barry Smith
A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])
All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])
Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])
(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002]
(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001]
(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001]
2d-s-region
TwoDimensionalSpatialRegion
an infinitely thin plane in space.
the surface of a sphere-shaped part of space
A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])
(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001]
two-dimensional spatial region
A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])
(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001]
st-region
SpatiotemporalRegion
the spatiotemporal region occupied by a human life
the spatiotemporal region occupied by a process of cellular meiosis.
the spatiotemporal region occupied by the development of a cancer tumor
A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])
All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])
Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])
Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])
Every spatiotemporal region occupies_spatiotemporal_region itself.
Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])
(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002]
(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001]
(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001]
(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001]
(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001]
spatiotemporal region
A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])
All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])
Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])
Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])
Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])
(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002]
(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001]
(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001]
(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001]
(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001]
process
Process
a process of cell-division, \ a beating of the heart
a process of meiosis
a process of sleeping
the course of a disease
the flight of a bird
the life of an organism
your process of aging.
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 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)
(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]
process
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])
(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]
disposition
Disposition
an atom of element X has the disposition to decay to an atom of element Y
certain people have a predisposition to colon cancer
children are innately disposed to categorize objects in certain ways.
the cell wall is disposed to filter chemicals in endocytosis and exocytosis
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.
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])
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])
(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]
(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]
disposition
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])
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])
(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]
(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]
realizable
RealizableEntity
the disposition of this piece of metal to conduct electricity.
the disposition of your blood to coagulate
the function of your reproductive organs
the role of being a doctor
the role of this boundary to delineate where Utah and Colorado meet
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])
All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])
(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]
(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]
realizable entity
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])
All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])
(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]
(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]
0d-s-region
ZeroDimensionalSpatialRegion
A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])
(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001]
zero-dimensional spatial region
A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])
(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001]
quality
Quality
the ambient temperature of this portion of air
the color of a tomato
the length of the circumference of your waist
the mass of this piece of gold.
the shape of your nose
the shape of your nostril
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])
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])
(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001]
(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]
quality
(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]
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])
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])
(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001]
sdc
SpecificallyDependentContinuant
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
of one-sided specifically dependent continuants: the mass of this tomato
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.
the disposition of this fish to decay
the function of this heart: to pump blood
the mutual dependence of proton donors and acceptors in chemical reactions [79
the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction
the pink color of a medium rare piece of grilled filet mignon at its center
the role of being a doctor
the shape of this hole.
the smell of this portion of mozzarella
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])
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.
(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]
specifically dependent continuant
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])
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.
per discussion with Barry Smith
(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]
fiat-object-part
FiatObjectPart
or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29
the FMA:regional parts of an intact human body.
the Western hemisphere of the Earth
the division of the brain into regions
the division of the planet into hemispheres
the dorsal and ventral surfaces of the body
the upper and lower lobes of the left lung
BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions
b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])
(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004]
fiat object part
b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])
(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004]
1d-s-region
OneDimensionalSpatialRegion
an edge of a cube-shaped portion of space.
A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])
(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001]
one-dimensional spatial region
A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])
(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001]
object-aggregate
ObjectAggregate
a collection of cells in a blood biobank.
a swarm of bees is an aggregate of members who are linked together through natural bonds
a symphony orchestra
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)
defined by fiat: the aggregate of members of an organization
defined through physical attachment: the aggregate of atoms in a lump of granite
defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container
defined via attributive delimitations such as: the patients in this hospital
the aggregate of bearings in a constant velocity axle joint
the aggregate of blood cells in your body
the nitrogen atoms in the atmosphere
the restaurants in Palo Alto
your collection of Meissen ceramic plates.
An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects
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).
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.
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])
(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]
object aggregate
An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects
An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects
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.
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])
(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]
3d-s-region
ThreeDimensionalSpatialRegion
a cube-shaped region of space
a sphere-shaped region of space,
A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])
(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001]
three-dimensional spatial region
A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])
(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001]
site
Site
Manhattan Canyon)
a hole in the interior of a portion of cheese
a rabbit hole
an air traffic control region defined in the airspace above an airport
the Grand Canyon
the Piazza San Marco
the cockpit of an aircraft
the hold of a ship
the interior of a kangaroo pouch
the interior of the trunk of your car
the interior of your bedroom
the interior of your office
the interior of your refrigerator
the lumen of your gut
your left nostril (a fiat part – the opening – of your left nasal cavity)
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])
(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002]
site
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])
(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002]
object
Object
atom
cell
cells and organisms
engineered artifacts
grain of sand
molecule
organelle
organism
planet
solid portions of matter
star
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.
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).
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
BFO 2 Reference: an object is a maximal causally unified material entity
BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74
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])
object
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])
gdc
GenericallyDependentContinuant
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.
the pdf file on your laptop, the pdf file that is a copy thereof on my laptop
the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule.
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])
(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]
generically dependent continuant
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])
(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]
function
Function
the function of a hammer to drive in nails
the function of a heart pacemaker to regulate the beating of a heart through electricity
the function of amylase in saliva to break down starch into sugar
BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc.
A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])
(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001]
function
A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])
(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001]
p-boundary
ProcessBoundary
the boundary between the 2nd and 3rd year of your life.
p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])
Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])
(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002]
(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001]
process boundary
p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])
Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])
(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002]
(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001]
1d-t-region
OneDimensionalTemporalRegion
the temporal region during which a process occurs.
BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks).
A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])
(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001]
one-dimensional temporal region
A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])
(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001]
material
MaterialEntity
material entity
a flame
a forest fire
a human being
a hurricane
a photon
a puff of smoke
a sea wave
a tornado
an aggregate of human beings.
an energy wave
an epidemic
the undetached arm of a human being
An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time.
An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time.
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
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.
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.
Examples: collection of random bacteria, a chair, dorsal surface of the body
Material entity [snap:MaterialEntity] subsumes object [snap:Object], fiat object part [snap:FiatObjectPart], and object aggregate [snap:ObjectAggregate], which assume a three level theory of granularity, which is inadequate for some domains, such as biology.
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])
Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])
every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])
(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]
(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]
(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]
material entity
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])
Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])
every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])
(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]
(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]
(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]
cf-boundary
ContinuantFiatBoundary
b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])
BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions.
BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29
Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions.
Every continuant fiat boundary is located at some spatial region at every time at which it exists
(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001]
continuant fiat boundary
b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])
Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions.
(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001]
immaterial
ImmaterialEntity
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
immaterial entity
1d-cf-boundary
OneDimensionalContinuantFiatBoundary
The Equator
all geopolitical boundaries
all lines of latitude and longitude
the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin.
the median sulcus of your tongue
a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])
(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001]
one-dimensional continuant fiat boundary
a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])
(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001]
process-profile
ProcessProfile
On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels
One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance.
The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on.
b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])
b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])
(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005]
(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002]
process profile
b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])
b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])
(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005]
(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002]
r-quality
RelationalQuality
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.
a marriage bond, an instance of love, an obligation between one person and another.
b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])
(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001]
relational quality
b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])
(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001]
2d-cf-boundary
TwoDimensionalContinuantFiatBoundary
a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])
(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001]
two-dimensional continuant fiat boundary
a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])
(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001]
0d-cf-boundary
ZeroDimensionalContinuantFiatBoundary
the geographic North Pole
the point of origin of some spatial coordinate system.
the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet
zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona.
a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])
(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001]
zero-dimensional continuant fiat boundary
zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona.
requested by Melanie Courtot
a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])
(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001]
0d-t-region
ZeroDimensionalTemporalRegion
a temporal region that is occupied by a process boundary
right now
the moment at which a child is born
the moment at which a finger is detached in an industrial accident
the moment of death.
temporal instant.
A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])
(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001]
zero-dimensional temporal region
A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])
(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001]
history
History
A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])
history
A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])
A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species.
CHEBI:7456
CAS:389-08-2
DrugBank:DB00779
Drug_Central:1875
KEGG:C05079
KEGG:D00183
LINCS:LSM-5590
PDBeChem:NIX
PMID:11321869
PMID:12002106
PMID:12399485
PMID:12702698
PMID:14107587
PMID:16107187
PMID:16423473
PMID:16667857
PMID:16803589
PMID:17132068
PMID:17631104
PMID:18788798
PMID:19071706
PMID:28166217
Patent:BE612258
Patent:US3590036
Reaxys:750515
Wikipedia:Nalidixic_Acid
colombos:NALIDIXIC_ACID
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
NALIDIXIC ACID
Nalidixic acid
chebi_ontology
0
1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid
232.085
232.23530
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
C12H12N2O3
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
MHWLWQUZZRMNGJ-UHFFFAOYSA-N
acide nalidixique
acido nalidixico
acidum nalidixicum
nalidixic acid
CHEBI:100147
nalidixic acid
CAS:389-08-2
ChemIDplus
CAS:389-08-2
KEGG COMPOUND
Drug_Central:1875
DrugCentral
PMID:11321869
Europe PMC
PMID:12002106
Europe PMC
PMID:12399485
Europe PMC
PMID:12702698
Europe PMC
PMID:14107587
Europe PMC
PMID:16107187
Europe PMC
PMID:16423473
Europe PMC
PMID:16667857
Europe PMC
PMID:16803589
Europe PMC
PMID:17132068
Europe PMC
PMID:17631104
Europe PMC
PMID:18788798
Europe PMC
PMID:19071706
Europe PMC
PMID:28166217
Europe PMC
Reaxys:750515
Reaxys
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
IUPAC
NALIDIXIC ACID
ChEMBL
Nalidixic acid
KEGG_COMPOUND
0
ChEBI
1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
ChemIDplus
1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure
ChemIDplus
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
ChEMBL
1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
ChemIDplus
1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid
ChemIDplus
232.085
KEGG_COMPOUND
232.23530
ChEBI
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
ChemIDplus
C12H12N2O3
KEGG_COMPOUND
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12
ChEBI
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
ChEBI
MHWLWQUZZRMNGJ-UHFFFAOYSA-N
ChEBI
acide nalidixique
ChemIDplus
acido nalidixico
ChemIDplus
acidum nalidixicum
ChemIDplus
nalidixic acid
ChemIDplus
A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.
CHEBI:102718
CHEBI:3717
CHEBI:41638
Beilstein:3568352
CAS:85721-33-1
DrugBank:DB00537
Drug_Central:659
HMDB:HMDB14677
KEGG:C05349
KEGG:D00186
LINCS:LSM-5226
PDBeChem:CPF
PMID:10397494
PMID:10737746
Patent:DE3142854
Patent:US4670444
Reaxys:3568352
Wikipedia:Ciprofloxacin
colombos:CIPROFLOXACIN
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Ciprofloxacin
ciprofloxacin
chebi_ontology
0
1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
331.133
331.34150
C17H18FN3O3
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
MYSWGUAQZAJSOK-UHFFFAOYSA-N
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
ciprofloxacin
ciprofloxacine
ciprofloxacino
ciprofloxacinum
CHEBI:100241
ciprofloxacin
Beilstein:3568352
Beilstein
CAS:85721-33-1
ChemIDplus
CAS:85721-33-1
KEGG COMPOUND
Drug_Central:659
DrugCentral
PMID:10397494
ChEMBL
PMID:10737746
ChEMBL
Reaxys:3568352
Reaxys
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
Ciprofloxacin
KEGG_COMPOUND
ciprofloxacin
ChEMBL
0
ChEBI
1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
PDBeChem
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
ChEMBL
1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
ChEMBL
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
ChemIDplus
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
ChEMBL
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
ChEMBL
1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
ChEMBL
331.133
KEGG_COMPOUND
331.34150
ChEBI
C17H18FN3O3
KEGG_COMPOUND
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
ChEBI
MYSWGUAQZAJSOK-UHFFFAOYSA-N
ChEBI
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
ChEBI
ciprofloxacin
ChemIDplus
ciprofloxacine
ChemIDplus
ciprofloxacino
ChemIDplus
ciprofloxacinum
ChemIDplus
A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.
CHEBI:7629
Beilstein:567897
CAS:70458-96-7
DrugBank:DB01059
Drug_Central:1967
Gmelin:1576626
HMDB:HMDB15192
KEGG:C06687
KEGG:D00210
LINCS:LSM-5286
PMID:3317294
PMID:3908074
PMID:6211142
PMID:6224685
PMID:6234465
PMID:6454381
PMID:6461606
Patent:BE863429
Patent:DE2840910
Patent:US4146719
Patent:US4292317
Reaxys:567897
Wikipedia:Norfloxacin
colombos:NORFLOXACIN
1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
chebi_ontology
0
1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure
1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
319.133
319.33080
C16H18FN3O3
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
NFLX
OGJPXUAPXNRGGI-UHFFFAOYSA-N
norfloxacin
norfloxacine
norfloxacino
norfloxacinum
CHEBI:100246
norfloxacin
Beilstein:567897
Beilstein
CAS:70458-96-7
ChemIDplus
CAS:70458-96-7
KEGG COMPOUND
Drug_Central:1967
DrugCentral
Gmelin:1576626
Gmelin
PMID:3317294
Europe PMC
PMID:3908074
Europe PMC
PMID:6211142
Europe PMC
PMID:6224685
Europe PMC
PMID:6234465
Europe PMC
PMID:6454381
Europe PMC
PMID:6461606
Europe PMC
Reaxys:567897
Reaxys
1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
0
ChEBI
1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
ChemIDplus
1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure
ChemIDplus
1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
ChemIDplus
319.133
KEGG_COMPOUND
319.33080
ChEBI
C16H18FN3O3
KEGG_COMPOUND
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
ChEBI
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
ChEBI
NFLX
KEGG_DRUG
OGJPXUAPXNRGGI-UHFFFAOYSA-N
ChEBI
norfloxacin
KEGG_DRUG
norfloxacine
ChemIDplus
norfloxacino
ChemIDplus
norfloxacinum
ChemIDplus
A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.
CHEBI:9343
Beilstein:263871
CAS:127-69-5
DrugBank:DB00263
Drug_Central:2529
Gmelin:864477
KEGG:C07318
KEGG:D00450
LINCS:LSM-3120
PMID:1861917
PMID:4960234
PMID:7356572
Patent:US2430094
Wikipedia:Sulfisoxazole
colombos:SULFISOXAZOLE
colombos:SULFISOXAZOLE:+UNKNOWN
4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
chebi_ontology
0
267.068
267.30400
3,4-Dimethyl-5-sulfanilamidoisoxazole
3,4-Dimethyl-5-sulfonamidoisoxazole
3,4-Dimethyl-5-sulphanilamidoisoxazole
3,4-Dimethyl-5-sulphonamidoisoxazole
3,4-Dimethylisoxazole-5-sulfanilamide
3,4-Dimethylisoxazole-5-sulphanilamide
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide
5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole
5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole
5-Sulfanilamido-3,4-dimethylisoxazole
5-Sulphanilamido-3,4-dimethyl-isoxazole
C11H13N3O3S
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide
N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide
N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide
NHUHCSRWZMLRLA-UHFFFAOYSA-N
Sulfadimethylisoxazole
Sulfafurazol
Sulfaisoxazole
Sulfasoxazole
Sulfisonazole
Sulfisoxasole
Sulfisoxazol
Sulfofurazole
Sulphadimethylisoxazole
Sulphafurazol
Sulphafurazole
Sulphaisoxazole
Sulphisoxazol
Sulphofurazole
sulfafurazole
sulfafurazolum
CHEBI:102484
sulfisoxazole
Beilstein:263871
Beilstein
CAS:127-69-5
ChemIDplus
CAS:127-69-5
NIST Chemistry WebBook
Drug_Central:2529
DrugCentral
Gmelin:864477
Gmelin
PMID:1861917
Europe PMC
PMID:4960234
Europe PMC
PMID:7356572
Europe PMC
4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
IUPAC
0
ChEBI
267.068
KEGG_COMPOUND
267.30400
ChEBI
3,4-Dimethyl-5-sulfanilamidoisoxazole
ChemIDplus
3,4-Dimethyl-5-sulfonamidoisoxazole
ChemIDplus
3,4-Dimethyl-5-sulphanilamidoisoxazole
ChemIDplus
3,4-Dimethyl-5-sulphonamidoisoxazole
ChemIDplus
3,4-Dimethylisoxazole-5-sulfanilamide
ChemIDplus
3,4-Dimethylisoxazole-5-sulphanilamide
ChemIDplus
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
NIST_Chemistry_WebBook
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide
ChemIDplus
5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole
ChemIDplus
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole
ChemIDplus
5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole
ChemIDplus
5-Sulfanilamido-3,4-dimethylisoxazole
ChemIDplus
5-Sulphanilamido-3,4-dimethyl-isoxazole
ChemIDplus
C11H13N3O3S
KEGG_COMPOUND
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
ChEBI
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
ChEBI
N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide
ChemIDplus
N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide
ChemIDplus
N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide
ChemIDplus
NHUHCSRWZMLRLA-UHFFFAOYSA-N
ChEBI
Sulfadimethylisoxazole
DrugBank
Sulfafurazol
DrugBank
Sulfaisoxazole
DrugBank
Sulfasoxazole
DrugBank
Sulfisonazole
DrugBank
Sulfisoxasole
DrugBank
Sulfisoxazol
DrugBank
Sulfofurazole
DrugBank
Sulphadimethylisoxazole
NIST_Chemistry_WebBook
Sulphafurazol
DrugBank
Sulphafurazole
DrugBank
Sulphaisoxazole
DrugBank
Sulphisoxazol
DrugBank
Sulphofurazole
DrugBank
sulfafurazole
KEGG_DRUG
sulfafurazolum
ChemIDplus
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.
KEGG:C05359
PMID:21614077
electron
chebi_ontology
-1
0.000548579903
[*-]
beta
beta(-)
beta-particle
e
e(-)
e-
negatron
CHEBI:10545
electron
PMID:21614077
Europe PMC
electron
ChEBI
electron
IUPAC
electron
KEGG_COMPOUND
-1
ChEBI
0.000548579903
ChEBI
[*-]
ChEBI
beta
IUPAC
beta(-)
ChEBI
beta-particle
IUPAC
e
IUPAC
e(-)
UniProt
e-
KEGG_COMPOUND
negatron
IUPAC
CHEBI:26614
Beilstein:2206312
CAS:488-59-5
Gmelin:561300
KEGG:C06153
PMID:24352657
Reaxys:2206312
scyllo-Inositol
scyllo-inositol
chebi_ontology
(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
0
1,3,5/2,4,6-cyclohexanehexol
180.063
180.15588
C6H12O6
CDAISMWEOUEBRE-CDRYSYESSA-N
Cocositol
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Quercinitol
Scyllitol
CHEBI:10642
scyllo-inositol
Beilstein:2206312
Beilstein
CAS:488-59-5
ChemIDplus
CAS:488-59-5
KEGG COMPOUND
CAS:488-59-5
NIST Chemistry WebBook
Gmelin:561300
Gmelin
PMID:24352657
Europe PMC
Reaxys:2206312
Reaxys
scyllo-Inositol
KEGG_COMPOUND
scyllo-inositol
IUPAC
scyllo-inositol
UniProt
(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
IUPAC
0
ChEBI
1,3,5/2,4,6-cyclohexanehexol
IUPAC
180.063
KEGG_COMPOUND
180.15588
ChEBI
C6H12O6
KEGG_COMPOUND
CDAISMWEOUEBRE-CDRYSYESSA-N
ChEBI
Cocositol
NIST_Chemistry_WebBook
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
ChEBI
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI
Quercinitol
ChemIDplus
Scyllitol
ChemIDplus
An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.
CAS:532-32-1
KEGG:D02277
PMID:25377186
PMID:25582668
PMID:26585641
PMID:26706697
PMID:26749113
PMID:26870932
PMID:26875563
PMID:26907495
PMID:26951541
PMID:26989415
PMID:27000017
Reaxys:1100243
Wikipedia:Sodium_benzoate
colombos:SODIUMBENZOATE
colombos:SODIUM_BENZOATE
sodium benzoate
chebi_ontology
0
144.019
144.103
Benzoic acid, sodium salt
C(C=1C=CC=CC1)([O-])=O.[Na+]
C7H5NaO2
E211
InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
Sodium benzoate
WXMKPNITSTVMEF-UHFFFAOYSA-M
CHEBI:113455
sodium benzoate
CAS:532-32-1
ChemIDplus
CAS:532-32-1
KEGG DRUG
CAS:532-32-1
NIST Chemistry WebBook
PMID:25377186
Europe PMC
PMID:25582668
Europe PMC
PMID:26585641
Europe PMC
PMID:26706697
Europe PMC
PMID:26749113
Europe PMC
PMID:26870932
Europe PMC
PMID:26875563
Europe PMC
PMID:26907495
Europe PMC
PMID:26951541
Europe PMC
PMID:26989415
Europe PMC
PMID:27000017
Europe PMC
Reaxys:1100243
Reaxys
sodium benzoate
IUPAC
0
ChEBI
144.019
ChEBI
144.103
ChEBI
Benzoic acid, sodium salt
ChemIDplus
C(C=1C=CC=CC1)([O-])=O.[Na+]
ChEBI
C7H5NaO2
ChEBI
E211
ChEBI
InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
ChEBI
Sodium benzoate
KEGG_DRUG
WXMKPNITSTVMEF-UHFFFAOYSA-M
ChEBI
The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.
CAS:352-21-6
KEGG:C03678
4-Amino-3-hydroxybutanoate
chebi_ontology
-1
118.050
118.11126
C4H8NO3
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1
NCC(O)CC([O-])=O
YQGDEPYYFWUPGO-UHFFFAOYSA-M
CHEBI:11955
4-amino-3-hydroxybutanoate
CAS:352-21-6
KEGG COMPOUND
KEGG:C03678
ChEBI
4-Amino-3-hydroxybutanoate
KEGG_COMPOUND
-1
ChEBI
118.050
ChEBI
118.11126
ChEBI
C4H8NO3
ChEBI
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1
ChEBI
NCC(O)CC([O-])=O
ChEBI
YQGDEPYYFWUPGO-UHFFFAOYSA-M
ChEBI
D-galacto-hexose
D-galactose
chebi_ontology
0
180.15588
C6H12O6
D-Gal
CHEBI:12936
D-galactose
D-galacto-hexose
IUPAC
D-galactose
IUPAC
0
ChEBI
180.15588
ChEBI
C6H12O6
ChEBI
D-Gal
JCBN
A 3-hydroxymonocarboxylic acid that is the 3-hydroxy derivative of 3-butenoic acid.
Chemspider:8637633
3-hydroxybut-3-enoic acid
chebi_ontology
0
102.032
102.089
C4H6O3
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h5H,1-2H2,(H,6,7)
OC(CC(O)=O)=C
YMXHTKKMLXGXDC-UHFFFAOYSA-N
CHEBI:131367
3-hydroxy-3-butenoic acid
3-hydroxybut-3-enoic acid
IUPAC
0
ChEBI
102.032
ChEBI
102.089
ChEBI
C4H6O3
ChEBI
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h5H,1-2H2,(H,6,7)
ChEBI
OC(CC(O)=O)=C
ChEBI
YMXHTKKMLXGXDC-UHFFFAOYSA-N
ChEBI
A disaccharide formed by a (1<->1)-glycosidic bond between two hexopyranose units.
hexopyranosyl hexopyranoside
chebi_ontology
CHEBI:131401
hexopyranosyl hexopyranoside
hexopyranosyl hexopyranoside
IUPAC
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
chebi_ontology
Mycoplasma genitalium metabolites
CHEBI:131604
Mycoplasma genitalium metabolite
Mycoplasma genitalium metabolites
ChEBI
A steroid compound with a structure based on a 24-carbon (cholane) skeleton.
chebi_ontology
C24-steroids
CHEBI:131620
C24-steroid
C24-steroids
ChEBI
Any steroid (or derivative) based on a cholane skeleton.
chebi_ontology
cholane derivatives
CHEBI:131657
cholane derivative
cholane derivatives
ChEBI
Any steroid acid anion based on a cholanic acid skeleton.
chebi_ontology
cholanic acid anions
cholanoic acid anions
CHEBI:131878
cholanic acid anion
cholanic acid anions
ChEBI
cholanoic acid anions
ChEBI
An organic anion obtained by deprotonation of any cholanic acid conjugate.
chebi_ontology
cholanic acid conjugate anions
cholanoic acid conjugate anion
cholanoic acid conjugate anions
CHEBI:131879
cholanic acid conjugate anion
cholanic acid conjugate anions
SUBMITTER
cholanoic acid conjugate anion
SUBMITTER
cholanoic acid conjugate anions
ChEBI
A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens.
chebi_ontology
dicarboxylic acids and derivatives
CHEBI:131927
dicarboxylic acids and O-substituted derivatives
dicarboxylic acids and derivatives
ChEBI
Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group.
chebi_ontology
hydroxyquinones
CHEBI:132130
hydroxyquinone
hydroxyquinones
ChEBI
A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring.
chebi_ontology
CHEBI:132142
1,4-naphthoquinones
Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group.
Wikipedia:Hydroxynaphthoquinone
chebi_ontology
hydroxynaphthoquinones
CHEBI:132155
hydroxynaphthoquinone
hydroxynaphthoquinones
ChEBI
Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group.
chebi_ontology
hydroxy-1,4-naphthoquinones
CHEBI:132157
hydroxy-1,4-naphthoquinone
hydroxy-1,4-naphthoquinones
ChEBI
A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid.
Chemspider:34552020
2-oxidopropane-1,2,3-tricarboxylate
chebi_ontology
-4
187.996
188.092
2-oxido-1,2,3-propanetricarboxylate
C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-]
C6H4O7
InChI=1S/C6H7O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)(H,11,12)/q-1/p-3
KSXLKRAZYZIYCZ-UHFFFAOYSA-K
citric acid tetraanion
CHEBI:132362
citrate(4-)
2-oxidopropane-1,2,3-tricarboxylate
IUPAC
-4
ChEBI
187.996
ChEBI
188.092
ChEBI
2-oxido-1,2,3-propanetricarboxylate
ChEBI
C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-]
ChEBI
C6H4O7
ChEBI
InChI=1S/C6H7O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)(H,11,12)/q-1/p-3
ChEBI
KSXLKRAZYZIYCZ-UHFFFAOYSA-K
ChEBI
citric acid tetraanion
ChEBI
Any aromatic amide obtained by acylation of aniline.
KEGG:C01402
PMID:23535982
PMID:23968552
PMID:24273122
PMID:6205897
chebi_ontology
0
120.045
120.12860
C7H6NOR
N-phenyl amide
N-phenyl amides
[*]C(=O)Nc1ccccc1
an anilide
CHEBI:13248
anilide
PMID:23535982
Europe PMC
PMID:23968552
Europe PMC
PMID:24273122
Europe PMC
PMID:6205897
Europe PMC
0
ChEBI
120.045
ChEBI
120.12860
ChEBI
C7H6NOR
ChEBI
N-phenyl amide
ChEBI
N-phenyl amides
ChEBI
[*]C(=O)Nc1ccccc1
ChEBI
an anilide
UniProt
A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties.
Wikipedia:Bleach
chebi_ontology
CHEBI:132717
bleaching agent
chebi_ontology
aspartate anion
aspartic acid anion
CHEBI:132943
aspartate
aspartate anion
ChEBI
aspartic acid anion
ChEBI
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of any tartaric acid.
CHEBI:35396
tartrate
chebi_ontology
tartaric acid anion
tartaric acid anions
tartrate anion
tartrate anions
tartrates
CHEBI:132950
tartrate
tartrate
ChEBI
tartaric acid anion
ChEBI
tartaric acid anions
ChEBI
tartrate anion
ChEBI
tartrate anions
ChEBI
tartrates
ChEBI
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of maleic acid.
chebi_ontology
maleate anion
maleate anions
maleates
maleic acid anion
maleic acid anions
CHEBI:132951
maleate
maleate anion
ChEBI
maleate anions
ChEBI
maleates
ChEBI
maleic acid anion
ChEBI
maleic acid anions
ChEBI
An oxo fatty acid anion obtained by deprotonation of the carboxy group of any 3-oxo fatty acid.
chebi_ontology
*C(CC(=O)[O-])=O
-1
3-keto fatty acid anion
3-keto fatty acid anions
86.000
86.046
C3H2O3R
a 3-oxo fatty acid
CHEBI:133292
3-oxo fatty acid anion
*C(CC(=O)[O-])=O
ChEBI
-1
ChEBI
3-keto fatty acid anion
SUBMITTER
3-keto fatty acid anions
ChEBI
86.000
ChEBI
86.046
ChEBI
C3H2O3R
ChEBI
a 3-oxo fatty acid
UniProt
An inorganic oxide that is an oxide of any metal.
chebi_ontology
metal oxides
CHEBI:133331
metal oxide
metal oxides
ChEBI
A quaternary ammonium salt with choline cation and chloride anion.
Beilstein:3563126
CAS:67-48-1
PMID:12962717
PMID:17596274
PMID:20396712
PMID:24905385
PMID:25037344
PMID:6196640
PMID:8047569
Reaxys:3563126
Wikipedia:Choline_chloride
2-hydroxy-N,N,N-trimethylethanaminium chloride
chebi_ontology
(2-Hydroxyethyl)trimethylammonium chloride
(beta-Hydroxyethyl)trimethylammonium chloride
0
139.076
139.624
2-Hydroxy-N,N,N,-trimethylethanaminium chloride
Bilineurin chloride
Biocolina
Biocoline
C5H14ClNO
Chloride de choline
Chlorure de choline
Choline chlorhydrate
Choline hydrochloride
Cholini chloridum
Cholinium chloride
Cloruro de colina
Hepacholine
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
Lipotril
Luridin chloride
Paresan
SGMZJAMFUVOLNK-UHFFFAOYSA-M
Trimethyl(2-hydroxyethyl)ammonium chloride
[Cl-].[N+](CCO)(C)(C)C
choline chloride
CHEBI:133341
choline chloride
Beilstein:3563126
Beilstein
CAS:67-48-1
ChemIDplus
CAS:67-48-1
NIST Chemistry WebBook
PMID:12962717
Europe PMC
PMID:17596274
Europe PMC
PMID:20396712
Europe PMC
PMID:24905385
Europe PMC
PMID:25037344
Europe PMC
PMID:6196640
Europe PMC
PMID:8047569
Europe PMC
Reaxys:3563126
Reaxys
2-hydroxy-N,N,N-trimethylethanaminium chloride
IUPAC
(2-Hydroxyethyl)trimethylammonium chloride
ChemIDplus
(beta-Hydroxyethyl)trimethylammonium chloride
ChemIDplus
0
ChEBI
139.076
ChEBI
139.624
ChEBI
2-Hydroxy-N,N,N,-trimethylethanaminium chloride
ChemIDplus
Bilineurin chloride
ChemIDplus
Biocolina
ChemIDplus
Biocoline
ChemIDplus
C5H14ClNO
ChEBI
Chloride de choline
ChemIDplus
Chlorure de choline
ChemIDplus
Choline chlorhydrate
ChemIDplus
Choline hydrochloride
ChemIDplus
Cholini chloridum
ChemIDplus
Cholinium chloride
ChemIDplus
Cloruro de colina
ChemIDplus
Hepacholine
ChemIDplus
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
ChEBI
Lipotril
ChemIDplus
Luridin chloride
ChemIDplus
Paresan
ChemIDplus
SGMZJAMFUVOLNK-UHFFFAOYSA-M
ChEBI
Trimethyl(2-hydroxyethyl)ammonium chloride
ChemIDplus
[Cl-].[N+](CCO)(C)(C)C
ChEBI
choline chloride
ChEBI
An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups as well as protonation of the amino group of glyphosate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
chebi_ontology
-1
168.006
168.065
C3H7NO5P
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-1
O=C([O-])C[NH2+]CP(=O)(O)[O-]
XDDAORKBJWWYJS-UHFFFAOYSA-M
glyphosate
CHEBI:133673
glyphosate(1-)
-1
ChEBI
168.006
ChEBI
168.065
ChEBI
C3H7NO5P
ChEBI
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-1
ChEBI
O=C([O-])C[NH2+]CP(=O)(O)[O-]
ChEBI
XDDAORKBJWWYJS-UHFFFAOYSA-M
ChEBI
glyphosate
UniProt
A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of citric acid.
chebi_ontology
citrate
citrate anions
CHEBI:133748
citrate anion
citrate
ChEBI
citrate anions
ChEBI
A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of pimelic acid.
chebi_ontology
heptanedioic acid anion
heptanedioic acid anions
pimelates
pimelic acid anion
pimelic acid anions
CHEBI:133773
pimelate
heptanedioic acid anion
ChEBI
heptanedioic acid anions
ChEBI
pimelates
ChEBI
pimelic acid anion
ChEBI
pimelic acid anions
ChEBI
chebi_ontology
Cu,Zn-SOD inhibitor
Cu,Zn-SOD inhibitors
Cu-Zn superoxide dismutase inhibitor
Cu-Zn superoxide dismutase inhibitors
EC 1.15.1.1 (superoxide dismutase) inhibitors
EC 1.15.1.1 inhibitor
EC 1.15.1.1 inhibitors
Fe-SOD inhibitor
Fe-SOD inhibitors
Mn-SOD inhibitor
Mn-SOD inhibitors
SOD inhibitor
SOD inhibitors
SOD-1 inhibitor
SOD-1 inhibitors
SOD-2 inhibitor
SOD-2 inhibitors
SOD-3 inhibitor
SOD-3 inhibitors
SOD-4 inhibitor
SOD-4 inhibitors
SODF inhibitor
SODF inhibitors
SODS inhibitor
SODS inhibitors
copper-zinc superoxide dismutase inhibitor
copper-zinc superoxide dismutase inhibitors
cuprein inhibitor
cuprein inhibitors
cytocuprein inhibitor
cytocuprein inhibitors
erythrocuprein inhibitor
erythrocuprein inhibitors
ferrisuperoxide dismutase inhibitor
ferrisuperoxide dismutase inhibitors
hemocuprein inhibitor
hemocuprein inhibitors
hepatocuprein inhibitor
hepatocuprein inhibitors
superoxidase dismutase inhibitor
superoxidase dismutase inhibitors
superoxide dismutase (EC 1.15.1.1) inhibitor
superoxide dismutase (EC 1.15.1.1) inhibitors
superoxide dismutase I inhibitor
superoxide dismutase I inhibitors
superoxide dismutase II inhibitor
superoxide dismutase II inhibitors
superoxide dismutase inhibitor
superoxide dismutase inhibitors
superoxide:superoxide oxidoreductase inhibitor
superoxide:superoxide oxidoreductase inhibitors
CHEBI:134084
EC 1.15.1.1 (superoxide dismutase) inhibitor
Cu,Zn-SOD inhibitor
ChEBI
Cu,Zn-SOD inhibitors
ChEBI
Cu-Zn superoxide dismutase inhibitor
ChEBI
Cu-Zn superoxide dismutase inhibitors
ChEBI
EC 1.15.1.1 (superoxide dismutase) inhibitors
ChEBI
EC 1.15.1.1 inhibitor
ChEBI
EC 1.15.1.1 inhibitors
ChEBI
Fe-SOD inhibitor
ChEBI
Fe-SOD inhibitors
ChEBI
Mn-SOD inhibitor
ChEBI
Mn-SOD inhibitors
ChEBI
SOD inhibitor
ChEBI
SOD inhibitors
ChEBI
SOD-1 inhibitor
ChEBI
SOD-1 inhibitors
ChEBI
SOD-2 inhibitor
ChEBI
SOD-2 inhibitors
ChEBI
SOD-3 inhibitor
ChEBI
SOD-3 inhibitors
ChEBI
SOD-4 inhibitor
ChEBI
SOD-4 inhibitors
ChEBI
SODF inhibitor
ChEBI
SODF inhibitors
ChEBI
SODS inhibitor
ChEBI
SODS inhibitors
ChEBI
copper-zinc superoxide dismutase inhibitor
ChEBI
copper-zinc superoxide dismutase inhibitors
ChEBI
cuprein inhibitor
ChEBI
cuprein inhibitors
ChEBI
cytocuprein inhibitor
ChEBI
cytocuprein inhibitors
ChEBI
erythrocuprein inhibitor
ChEBI
erythrocuprein inhibitors
ChEBI
ferrisuperoxide dismutase inhibitor
ChEBI
ferrisuperoxide dismutase inhibitors
ChEBI
hemocuprein inhibitor
ChEBI
hemocuprein inhibitors
ChEBI
hepatocuprein inhibitor
ChEBI
hepatocuprein inhibitors
ChEBI
superoxidase dismutase inhibitor
ChEBI
superoxidase dismutase inhibitors
ChEBI
superoxide dismutase (EC 1.15.1.1) inhibitor
ChEBI
superoxide dismutase (EC 1.15.1.1) inhibitors
ChEBI
superoxide dismutase I inhibitor
ChEBI
superoxide dismutase I inhibitors
ChEBI
superoxide dismutase II inhibitor
ChEBI
superoxide dismutase II inhibitors
ChEBI
superoxide dismutase inhibitor
ChEBI
superoxide dismutase inhibitors
ChEBI
superoxide:superoxide oxidoreductase inhibitor
ChEBI
superoxide:superoxide oxidoreductase inhibitors
ChEBI
An L-threonine derivative obtained by formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide.
PMCID:PMC3197220
PMID:17335290
PMID:18025458
PMID:20516283
PMID:21171638
PMID:22024823
PMID:26833150
PMID:27330072
PMID:27526195
Reaxys:18777591
colombos:CHIR-090
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
chebi_ontology
0
437.195
437.489
C24H27N3O5
FQYBTYFKOHPWQT-VGSWGCGISA-N
InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1
O1CCN(CC1)CC2=CC=C(C=C2)C#CC3=CC=C(C(=O)N[C@@H]([C@H](O)C)C(=O)NO)C=C3
CHEBI:134107
CHIR-090
PMCID:PMC3197220
Europe PMC
PMID:17335290
Europe PMC
PMID:18025458
Europe PMC
PMID:20516283
Europe PMC
PMID:21171638
Europe PMC
PMID:22024823
Europe PMC
PMID:26833150
Europe PMC
PMID:27330072
Europe PMC
PMID:27526195
Europe PMC
Reaxys:18777591
Reaxys
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
IUPAC
0
ChEBI
437.195
ChEBI
437.489
ChEBI
C24H27N3O5
ChEBI
FQYBTYFKOHPWQT-VGSWGCGISA-N
ChEBI
InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1
ChEBI
O1CCN(CC1)CC2=CC=C(C=C2)C#CC3=CC=C(C(=O)N[C@@H]([C@H](O)C)C(=O)NO)C=C3
ChEBI
Any compound that inhibits the biosynthesis of any lipopolysaccharide.
chebi_ontology
lipopolysaccharide biosynthesis inhibitors
CHEBI:134108
lipopolysaccharide biosynthesis inhibitor
lipopolysaccharide biosynthesis inhibitors
ChEBI
An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of UDP-3-O-acyl-N-acetylglucosamine deacetylase (EC 3.5.1.108).
Wikipedia:UDP-3-O-N-acetylglucosamine_deacetylase
chebi_ontology
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitors
EC 3.5.1.108 inhibitor
EC 3.5.1.108 inhibitors
LpxC deacetylase inhibitor
LpxC deacetylase inhibitors
LpxC enzyme inhibitor
LpxC enzyme inhibitors
LpxC inhibitor
LpxC inhibitors
UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase inhibitor
UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase inhibitors
UDP-(3-O-acyl)-N-acetylglucosamine deacetylase inhibitor
UDP-(3-O-acyl)-N-acetylglucosamine deacetylase inhibitors
UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitor
UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitors
UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitor
UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitors
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine amidohydrolase inhibitor
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine amidohydrolase inhibitors
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine amidohydrolase inhibitor
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine amidohydrolase inhibitors
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase inhibitor
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase inhibitors
UDP-3-O-acyl-GlcNAc deacetylase inhibitor
UDP-3-O-acyl-GlcNAc deacetylase inhibitors
deacetylase LpxC inhibitor
deacetylase LpxC inhibitors
CHEBI:134109
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitors
ChEBI
EC 3.5.1.108 inhibitor
ChEBI
EC 3.5.1.108 inhibitors
ChEBI
LpxC deacetylase inhibitor
ChEBI
LpxC deacetylase inhibitors
ChEBI
LpxC enzyme inhibitor
ChEBI
LpxC enzyme inhibitors
ChEBI
LpxC inhibitor
ChEBI
LpxC inhibitors
ChEBI
UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase inhibitor
ChEBI
UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase inhibitors
ChEBI
UDP-(3-O-acyl)-N-acetylglucosamine deacetylase inhibitor
ChEBI
UDP-(3-O-acyl)-N-acetylglucosamine deacetylase inhibitors
ChEBI
UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitor
ChEBI
UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitors
ChEBI
UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitor
ChEBI
UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase inhibitors
ChEBI
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine amidohydrolase inhibitor
ChEBI
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine amidohydrolase inhibitors
ChEBI
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine amidohydrolase inhibitor
ChEBI
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine amidohydrolase inhibitors
ChEBI
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase inhibitor
ChEBI
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase inhibitors
ChEBI
UDP-3-O-acyl-GlcNAc deacetylase inhibitor
ChEBI
UDP-3-O-acyl-GlcNAc deacetylase inhibitors
ChEBI
deacetylase LpxC inhibitor
ChEBI
deacetylase LpxC inhibitors
ChEBI
volatile organic compounds
Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.
Wikipedia:Volatile_organic_compound
colombos:VOC
colombos:VOC:-1+1
chebi_ontology
VOC
VOCs
volatile organic compounds
CHEBI:134179
volatile organic compound
VOC
ChEBI
VOCs
ChEBI
volatile organic compounds
ChEBI
An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups.
CHEBI:22318
MetaCyc:Alkanesulfonates
chebi_ontology
-1
93.972
94.091
C(S([O-])(=O)=O)*
CH2O3SR
alkanesulfonate oxoanions
alkanesulfonates
an alkanesulfonate
CHEBI:134249
alkanesulfonate oxoanion
-1
ChEBI
93.972
ChEBI
94.091
ChEBI
C(S([O-])(=O)=O)*
ChEBI
CH2O3SR
ChEBI
alkanesulfonate oxoanions
ChEBI
alkanesulfonates
ChEBI
an alkanesulfonate
UniProt
An N-oxide where there are three organic groups bonded to the nitrogen atom.
Patent:EP0545208
Patent:EP0757983
Patent:EP0866058
Patent:EP1068179
Patent:US4206204
Patent:WO9950236
chebi_ontology
*[N+](*)([O-])*
0
29.998
30.006
NOR3
tertiary amine oxides
CHEBI:134363
tertiary amine oxide
*[N+](*)([O-])*
ChEBI
0
ChEBI
29.998
ChEBI
30.006
ChEBI
NOR3
ChEBI
tertiary amine oxides
ChEBI
Any oxo fatty acid in which an oxo substituent is located at position 3.
chebi_ontology
3-keto fatty acid
3-keto fatty acids
3-oxo fatty acids
CHEBI:134416
3-oxo fatty acid
3-keto fatty acid
ChEBI
3-keto fatty acids
ChEBI
3-oxo fatty acids
ChEBI
A class containing any titanium molecular entity that is an oxide of titanium.
chebi_ontology
titanium oxide
CHEBI:134438
titanium oxides
titanium oxide
ChEBI
A nanoparticle composed of any titanium oxide.
chebi_ontology
CHEBI:134441
titanium oxide nanoparticle
A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.
glycols
chebi_ontology
Glykol
a glycol
CHEBI:13643
glycol
glycols
IUPAC
Glykol
ChEBI
a glycol
UniProt
Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds.
chebi_ontology
0
59.001
59.024
C(*)(=[N+](O)[O-])*
CHNO2R2
aci-nitro compounds
oxime N-oxide
oxime N-oxides
CHEBI:136622
aci-nitro compound
0
ChEBI
59.001
ChEBI
59.024
ChEBI
C(*)(=[N+](O)[O-])*
ChEBI
CHNO2R2
ChEBI
aci-nitro compounds
ChEBI
oxime N-oxide
ChEBI
oxime N-oxides
ChEBI
An organic group derived from any 3-oxo-Delta(4)-steroid.
chebi_ontology
0
94.042
94.111
C1=C(C*)*C(CC1=O)*
C6H6O
a 3-oxo-Delta4-steroid group
CHEBI:136849
3-oxo-Delta(4)-steroid group
0
ChEBI
94.042
ChEBI
94.111
ChEBI
C1=C(C*)*C(CC1=O)*
ChEBI
C6H6O
ChEBI
a 3-oxo-Delta4-steroid group
UniProt
A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent.
PMID:26449612
chebi_ontology
pro-agents
proagent
proagents
CHEBI:136859
pro-agent
PMID:26449612
Europe PMC
pro-agents
ChEBI
proagent
ChEBI
proagents
ChEBI
chebi_ontology
5beta steroids
5beta-steroid
5beta-steroids
CHEBI:136889
5beta steroid
5beta steroids
ChEBI
5beta-steroid
ChEBI
5beta-steroids
ChEBI
A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.
Beilstein:4128534
CAS:141-81-1
KEGG:C00164
MetaCyc:3-KETOBUTYRATE
Reaxys:4128534
UM-BBD_compID:c0069
3-oxobutanoate
Acetoacetate
acetoacetate
chebi_ontology
-1
101.024
101.08070
Acetoacetate ion(1-)
Butanoic acid, 3-oxo-, ion(1-)
C4H5O3
CC(=O)CC([O-])=O
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1
WDJHALXBUFZDSR-UHFFFAOYSA-M
CHEBI:13705
acetoacetate
Beilstein:4128534
Beilstein
CAS:141-81-1
ChemIDplus
Reaxys:4128534
Reaxys
UM-BBD_compID:c0069
UM-BBD
3-oxobutanoate
IUPAC
Acetoacetate
KEGG_COMPOUND
acetoacetate
UniProt
-1
ChEBI
101.024
ChEBI
101.08070
ChEBI
Acetoacetate ion(1-)
ChemIDplus
Butanoic acid, 3-oxo-, ion(1-)
ChemIDplus
C4H5O3
ChEBI
CC(=O)CC([O-])=O
ChEBI
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1
ChEBI
WDJHALXBUFZDSR-UHFFFAOYSA-M
ChEBI
Water-soluble carbon monoxide-releasing molecule.
CAS:475473-26-8
PDBeChem:318487530
colombos:CORM-3
chebi_ontology
0
292.591
292.866
C5H2ClNO5Ru
Carbon monoxide releasing molecule 3
InChI=1S/C2H3NO2.3CO.ClH.Ru/c3-1-2(4)5;3*1-2;;/h1H2,(H,4,5);;;;1H;/q;;;;;+2/p-2
Tricarbonylchloro(glycinato)ruthenium
UQJJDVOKPPHMJI-UHFFFAOYSA-L
[Ru+2]1([Cl-])([O-]C(=O)C[N]1)([C]=O)([C]=O)[C]=O
CHEBI:137081
CORM 3
CAS:475473-26-8
SUBMITTER
PDBeChem:318487530
SUBMITTER
0
SUBMITTER
292.591
SUBMITTER
292.866
SUBMITTER
C5H2ClNO5Ru
SUBMITTER
Carbon monoxide releasing molecule 3
SUBMITTER
InChI=1S/C2H3NO2.3CO.ClH.Ru/c3-1-2(4)5;3*1-2;;/h1H2,(H,4,5);;;;1H;/q;;;;;+2/p-2
ChEBI
Tricarbonylchloro(glycinato)ruthenium
SUBMITTER
UQJJDVOKPPHMJI-UHFFFAOYSA-L
ChEBI
[Ru+2]1([Cl-])([O-]C(=O)C[N]1)([C]=O)([C]=O)[C]=O
ChEBI
An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included.
Wikipedia:Metalloid
chebi_ontology
metalloid
metalloids
CHEBI:137980
metalloid atom
metalloid
ChEBI
metalloids
ChEBI
A compound formally derived from ammonium by replacing three hydrogen atoms by hydrocarbyl groups.
chebi_ontology
+1
15.011
15.015
HNR3
[NH+](*)(*)*
a tertiary amine
CHEBI:137982
tertiary amine(1+)
+1
SUBMITTER
15.011
SUBMITTER
15.015
SUBMITTER
HNR3
SUBMITTER
[NH+](*)(*)*
ChEBI
a tertiary amine
UniProt
Any compound that can disrupt the functions of the endocrine (hormone) system
PMID:27929035
PMID:28356401
PMID:28526231
Wikipedia:Endocrine_disruptor
chebi_ontology
endocrine disrupting chemical
endocrine disrupting chemicals
endocrine disrupting compound
endocrine disrupting compounds
endocrine disruptors
endocrine-disrupting chemical
endocrine-disrupting chemicals
hormonally active agent
hormonally active agents
CHEBI:138015
endocrine disruptor
PMID:27929035
Europe PMC
PMID:28356401
Europe PMC
PMID:28526231
Europe PMC
endocrine disrupting chemical
ChEBI
endocrine disrupting chemicals
ChEBI
endocrine disrupting compound
ChEBI
endocrine disrupting compounds
ChEBI
endocrine disruptors
ChEBI
endocrine-disrupting chemical
ChEBI
endocrine-disrupting chemicals
ChEBI
hormonally active agent
ChEBI
hormonally active agents
ChEBI
Beilstein:3903503
CAS:302-11-4
Gmelin:239604
carbamate
chebi_ontology
-1
60.009
60.03212
CH2NO2
Carbamat
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
KXDHJXZQYSOELW-UHFFFAOYSA-M
Karbamat
NC([O-])=O
carbamate ion
carbamic acid, ion(1-)
CHEBI:13941
carbamate
Beilstein:3903503
Beilstein
CAS:302-11-4
ChemIDplus
Gmelin:239604
Gmelin
carbamate
IUPAC
carbamate
UniProt
-1
ChEBI
60.009
ChEBI
60.03212
ChEBI
CH2NO2
ChEBI
Carbamat
ChEBI
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
ChEBI
KXDHJXZQYSOELW-UHFFFAOYSA-M
ChEBI
Karbamat
ChEBI
NC([O-])=O
ChEBI
carbamate ion
ChemIDplus
carbamic acid, ion(1-)
ChemIDplus
A D-glucose monophosphate in which the phosphate group is attached to position 6.
chebi_ontology
0
260.13578
6-O-phosphono-D-glucose
C6H13O9P
D-glucose 6-(dihydrogen phosphate)
CHEBI:14314
D-glucose 6-phosphate
0
ChEBI
260.13578
ChEBI
6-O-phosphono-D-glucose
IUPAC
C6H13O9P
ChEBI
D-glucose 6-(dihydrogen phosphate)
IUPAC
A glycerol monophosphate having the phosphate group located at position 1.
CAS:57-03-4
HMDB:HMDB00126
KEGG:C03189
MetaCyc:Glycerol-1-phosphate
PMID:1694860
PMID:22770225
PMID:6083437
Reaxys:1723974
Wikipedia:Glycerol_1-phosphate
2,3-dihydroxypropyl dihydrogen phosphate
Glycerol 1-phosphate
glycerol 1-(dihydrogen phosphate)
chebi_ontology
0
1,2,3-propanetriol, 1-(dihydrogen phosphate)
1-glycerophosphate
1-glycerophosphoric acid
1-phosphoglycerol
172.014
172.07370
2,3-dihydroxypropyl dihydrogen phosphate
2,3-hydroxy-1-propyl dihydrogen phosphate
3-glycerophosphate
AWUCVROLDVIAJX-UHFFFAOYSA-N
C3H9O6P
D,L-alpha-glycerol-phosphate
DL-Glycerol 3-phosphate
DL-Glyceryl 1-phosphate
DL-glycerol 1-phosphate
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
OCC(O)COP(O)(O)=O
PG
alpha-glycerophosphoric acid
alpha-phosphoglycerol
glycerol alpha-phosphate
rac-Glycerol 1-phosphate
CHEBI:14336
glycerol 1-phosphate
CAS:57-03-4
ChemIDplus
CAS:57-03-4
KEGG COMPOUND
PMID:1694860
Europe PMC
PMID:22770225
Europe PMC
PMID:6083437
Europe PMC
Reaxys:1723974
Reaxys
2,3-dihydroxypropyl dihydrogen phosphate
IUPAC
Glycerol 1-phosphate
KEGG_COMPOUND
glycerol 1-(dihydrogen phosphate)
IUPAC
0
ChEBI
1,2,3-propanetriol, 1-(dihydrogen phosphate)
ChemIDplus
1-glycerophosphate
ChemIDplus
1-glycerophosphoric acid
ChemIDplus
1-phosphoglycerol
ChEBI
172.014
ChEBI
172.07370
ChEBI
2,3-dihydroxypropyl dihydrogen phosphate
ChEBI
2,3-hydroxy-1-propyl dihydrogen phosphate
ChemIDplus
3-glycerophosphate
ChemIDplus
AWUCVROLDVIAJX-UHFFFAOYSA-N
ChEBI
C3H9O6P
ChEBI
D,L-alpha-glycerol-phosphate
MetaCyc
DL-Glycerol 3-phosphate
HMDB
DL-Glycerol 3-phosphate
KEGG_COMPOUND
DL-Glyceryl 1-phosphate
KEGG_COMPOUND
DL-glycerol 1-phosphate
MetaCyc
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
ChEBI
OCC(O)COP(O)(O)=O
ChEBI
PG
ChEBI
alpha-glycerophosphoric acid
ChemIDplus
alpha-phosphoglycerol
ChemIDplus
glycerol alpha-phosphate
ChemIDplus
rac-Glycerol 1-phosphate
KEGG_COMPOUND
A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide.
CAS:18496-25-8
UM-BBD_compID:c0569
sulfanediide
sulfide(2-)
chebi_ontology
-2
31.972
32.06600
InChI=1S/S/q-2
S
S(2-)
Sulfide
UCKMPCXJQFINFW-UHFFFAOYSA-N
[S--]
sulfide
sulphide
CHEBI:15138
sulfide(2-)
CAS:18496-25-8
ChemIDplus
UM-BBD_compID:c0569
UM-BBD
sulfanediide
IUPAC
sulfide(2-)
IUPAC
-2
ChEBI
31.972
ChEBI
32.06600
ChEBI
InChI=1S/S/q-2
ChEBI
S
ChEBI
S(2-)
IUPAC
Sulfide
ChemIDplus
UCKMPCXJQFINFW-UHFFFAOYSA-N
ChEBI
[S--]
ChEBI
sulfide
UniProt
sulphide
ChEBI
Beilstein:5740673
rel-(2R,3R)-2,3-dihydroxybutanedioate
chebi_ontology
-2
148.07096
C4H4O6
CHEBI:15193
tartrate(2-)
Beilstein:5740673
Beilstein
rel-(2R,3R)-2,3-dihydroxybutanedioate
IUPAC
-2
ChEBI
148.07096
ChEBI
C4H4O6
ChEBI
A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity.
CHEBI:13699
CHEBI:2377
KEGG:C00028
KEGG:C16722
Acceptor
acceptor
chebi_ontology
A
Akzeptor
Hydrogen-acceptor
Oxidized donor
accepteur
CHEBI:15339
acceptor
Acceptor
KEGG_COMPOUND
acceptor
UniProt
A
KEGG_COMPOUND
Akzeptor
ChEBI
Hydrogen-acceptor
KEGG_COMPOUND
Oxidized donor
KEGG_COMPOUND
accepteur
ChEBI
A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent.
CHEBI:22172
CHEBI:2391
CHEBI:40507
Beilstein:1747690
CAS:541-50-4
DrugBank:DB01762
HMDB:HMDB00060
KEGG:C00164
KNApSAcK:C00007458
LIPID_MAPS_instance:LMFA01060003
MetaCyc:3-KETOBUTYRATE
PMID:17190852
PMID:20444635
PMID:21806064
PMID:22382897
PMID:3884391
Reaxys:1747690
UM-BBD_compID:c0069
Wikipedia:Acetoacetic_acid
3-oxobutanoic acid
Acetoacetic acid
chebi_ontology
0
102.032
102.08864
3-Ketobutyric acid
3-Oxobutanoic acid
3-Oxobutyric acid
3-ketobutanoic acid
C4H6O3
CC(=O)CC(O)=O
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
WDJHALXBUFZDSR-UHFFFAOYSA-N
beta-Ketobutyric acid
CHEBI:15344
acetoacetic acid
Beilstein:1747690
Beilstein
CAS:541-50-4
ChemIDplus
CAS:541-50-4
KEGG COMPOUND
LIPID_MAPS_instance:LMFA01060003
LIPID MAPS
PMID:17190852
Europe PMC
PMID:20444635
Europe PMC
PMID:21806064
Europe PMC
PMID:22382897
Europe PMC
PMID:3884391
Europe PMC
Reaxys:1747690
Reaxys
UM-BBD_compID:c0069
ChEBI
3-oxobutanoic acid
IUPAC
Acetoacetic acid
KEGG_COMPOUND
0
ChEBI
102.032
KEGG_COMPOUND
102.08864
ChEBI
3-Ketobutyric acid
HMDB
3-Oxobutanoic acid
KEGG_COMPOUND
3-Oxobutyric acid
ChemIDplus
3-ketobutanoic acid
ChEBI
C4H6O3
KEGG_COMPOUND
CC(=O)CC(O)=O
ChEBI
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
ChEBI
WDJHALXBUFZDSR-UHFFFAOYSA-N
ChEBI
beta-Ketobutyric acid
KEGG_COMPOUND
A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit.
CHEBI:13294
CHEBI:13295
CHEBI:13298
CHEBI:23355
CHEBI:3771
CHEBI:41597
CHEBI:41631
CHEBI:741566
Beilstein:77809
CAS:85-61-0
DrugBank:DB01992
KEGG:C00010
KNApSAcK:C00007258
PDBeChem:COA
PDBeChem:COZ
PMID:11923312
PMID:13025483
PMID:15014152
PMID:15893380
PMID:18407920
PMID:19666462
PMID:20351285
PMID:2981478
PMID:7310833
Wikipedia:Coenzyme_A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
COENZYME A
Coenzyme A
chebi_ontology
0
3'-phosphoadenosine-(5')diphospho(4')pantatheine
767.115
767.53540
C21H36N7O16P3S
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
CoA
CoA-SH
CoASH
Coenzym A
HSCoA
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
Koenzym A
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
[(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
CHEBI:15346
coenzyme A
Beilstein:77809
Beilstein
CAS:85-61-0
ChemIDplus
CAS:85-61-0
KEGG COMPOUND
PMID:11923312
Europe PMC
PMID:13025483
Europe PMC
PMID:15014152
Europe PMC
PMID:15893380
Europe PMC
PMID:18407920
Europe PMC
PMID:19666462
Europe PMC
PMID:20351285
Europe PMC
PMID:2981478
Europe PMC
PMID:7310833
ChEMBL
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
IUPAC
COENZYME A
PDBeChem
Coenzyme A
KEGG_COMPOUND
0
ChEBI
3'-phosphoadenosine-(5')diphospho(4')pantatheine
ChEBI
767.115
KEGG_COMPOUND
767.53540
ChEBI
C21H36N7O16P3S
KEGG_COMPOUND
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
ChEBI
CoA
KEGG_COMPOUND
CoA-SH
KEGG_COMPOUND
CoASH
ChEBI
Coenzym A
ChEBI
HSCoA
ChEBI
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
ChEBI
Koenzym A
ChEBI
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
ChEBI
[(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
ChEBI
An acyl-CoA having acetyl as its S-acetyl component.
CHEBI:13712
CHEBI:22192
CHEBI:2408
CHEBI:40470
CAS:72-89-9
ECMDB:ECMDB01206
HMDB:HMDB01206
KEGG:C00024
KNApSAcK:C00007259
PDBeChem:ACO
PMID:12527305
PMID:12739170
PMID:15247244
PMID:16101314
PMID:16667687
PMID:16708165
PMID:17189273
PMID:17242360
PMID:17631502
PMID:18613815
PMID:19356710
PMID:19596230
PMID:19914586
PMID:3950616
Reaxys:78145
UM-BBD_compID:c0031
Wikipedia:Acetyl-CoA
YMDB:YMDB00312
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Acetyl-CoA
chebi_ontology
0
809.126
809.57208
AcCoA
Acetyl coenzyme A
C23H38N7O17P3S
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
S-acetyl-CoA
S-acetyl-coenzyme A
ZSLZBFCDCINBPY-ZSJPKINUSA-N
CHEBI:15351
acetyl-CoA
CAS:72-89-9
ChemIDplus
CAS:72-89-9
KEGG COMPOUND
PMID:12527305
Europe PMC
PMID:12739170
Europe PMC
PMID:15247244
Europe PMC
PMID:16101314
Europe PMC
PMID:16667687
Europe PMC
PMID:16708165
Europe PMC
PMID:17189273
Europe PMC
PMID:17242360
Europe PMC
PMID:17631502
Europe PMC
PMID:18613815
Europe PMC
PMID:19356710
Europe PMC
PMID:19596230
Europe PMC
PMID:19914586
Europe PMC
PMID:3950616
Europe PMC
Reaxys:78145
Reaxys
UM-BBD_compID:c0031
ChEBI
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
IUPAC
Acetyl-CoA
KEGG_COMPOUND
0
ChEBI
809.126
KEGG_COMPOUND
809.57208
ChEBI
AcCoA
ChEBI
Acetyl coenzyme A
KEGG_COMPOUND
C23H38N7O17P3S
KEGG_COMPOUND
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
ChEBI
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
ChEBI
S-acetyl-CoA
ChEBI
S-acetyl-coenzyme A
ChEBI
ZSLZBFCDCINBPY-ZSJPKINUSA-N
ChEBI
A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
CHEBI:13985
CHEBI:23212
CHEBI:3665
CHEBI:41524
Beilstein:1736748
CAS:62-49-7
DrugBank:DB00122
Drug_Central:3097
ECMDB:ECMDB00097
Gmelin:324597
HMDB:HMDB00097
KEGG:C00114
KEGG:D07690
KNApSAcK:C00007298
MetaCyc:CHOLINE
PDBeChem:CHT
PMID:10930630
PMID:12826235
PMID:12946691
PMID:14972364
PMID:16210714
PMID:17087106
PMID:17283071
PMID:17344490
PMID:18204095
PMID:18230680
PMID:18786517
PMID:18786520
PMID:19246089
PMID:20038853
PMID:20446114
PMID:22770225
PMID:22961562
PMID:23095202
PMID:23616508
PMID:23637565
PMID:23733158
PMID:6420466
PMID:7590654
PMID:9517478
Reaxys:1736748
Wikipedia:Choline
YMDB:YMDB00227
2-hydroxy-N,N,N-trimethylethanaminium
Choline
choline
chebi_ontology
+1
104.108
104.17080
Bilineurine
C5H14NO
CHOLINE ION
C[N+](C)(C)CCO
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
N,N,N-trimethylethanol-ammonium
N-trimethylethanolamine
OEYIOHPDSNJKLS-UHFFFAOYSA-N
trimethylethanolamine
CHEBI:15354
choline
Beilstein:1736748
Beilstein
CAS:62-49-7
ChemIDplus
CAS:62-49-7
KEGG COMPOUND
Drug_Central:3097
DrugCentral
Gmelin:324597
Gmelin
PMID:10930630
Europe PMC
PMID:12826235
Europe PMC
PMID:12946691
Europe PMC
PMID:14972364
Europe PMC
PMID:16210714
Europe PMC
PMID:17087106
Europe PMC
PMID:17283071
Europe PMC
PMID:17344490
Europe PMC
PMID:18204095
Europe PMC
PMID:18230680
Europe PMC
PMID:18786517
Europe PMC
PMID:18786520
Europe PMC
PMID:19246089
Europe PMC
PMID:20038853
Europe PMC
PMID:20446114
Europe PMC
PMID:22770225
Europe PMC
PMID:22961562
Europe PMC
PMID:23095202
Europe PMC
PMID:23616508
Europe PMC
PMID:23637565
Europe PMC
PMID:23733158
Europe PMC
PMID:6420466
Europe PMC
PMID:7590654
Europe PMC
PMID:9517478
Europe PMC
Reaxys:1736748
Reaxys
2-hydroxy-N,N,N-trimethylethanaminium
IUPAC
Choline
KEGG_COMPOUND
choline
UniProt
+1
ChEBI
104.108
ChEBI
104.17080
ChEBI
Bilineurine
KEGG_COMPOUND
C5H14NO
ChEBI
CHOLINE ION
PDBeChem
C[N+](C)(C)CCO
ChEBI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
ChEBI
N,N,N-trimethylethanol-ammonium
ChEBI
N-trimethylethanolamine
ChEBI
OEYIOHPDSNJKLS-UHFFFAOYSA-N
ChEBI
trimethylethanolamine
ChEBI
A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.
CHEBI:14061
CHEBI:23508
CHEBI:4050
Beilstein:1721406
CAS:3374-22-9
Gmelin:2933
KEGG:C00736
KNApSAcK:C00001351
KNApSAcK:C00007323
PMID:17439666
PMID:25181601
Reaxys:1721406
Wikipedia:Cysteine
colombos:CYSTEINE
colombos:CYSTEINE:+UNKNOWNg/L
Cysteine
cysteine
chebi_ontology
0
121.020
121.15922
2-Amino-3-mercaptopropionic acid
2-amino-3-mercaptopropanoic acid
2-amino-3-sulfanylpropanoic acid
C
C3H7NO2S
Cys
Cystein
Hcys
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
NC(CS)C(O)=O
XUJNEKJLAYXESH-UHFFFAOYSA-N
Zystein
cisteina
CHEBI:15356
cysteine
Cystein
ChEBI
Hcys
IUPAC
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
ChEBI
NC(CS)C(O)=O
ChEBI
XUJNEKJLAYXESH-UHFFFAOYSA-N
ChEBI
Zystein
ChEBI
cisteina
ChEBI
Beilstein:1721406
Beilstein
CAS:3374-22-9
ChemIDplus
CAS:3374-22-9
KEGG COMPOUND
CAS:3374-22-9
NIST Chemistry WebBook
Gmelin:2933
Gmelin
PMID:17439666
Europe PMC
PMID:25181601
Europe PMC
Reaxys:1721406
Reaxys
Cysteine
KEGG_COMPOUND
cysteine
ChEBI
cysteine
IUPAC
0
ChEBI
121.020
KEGG_COMPOUND
121.15922
ChEBI
2-Amino-3-mercaptopropionic acid
KEGG_COMPOUND
2-amino-3-mercaptopropanoic acid
JCBN
2-amino-3-sulfanylpropanoic acid
IUPAC
C
ChEBI
C3H7NO2S
KEGG_COMPOUND
Cys
ChEBI
A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group.
CHEBI:14987
CHEBI:26462
Beilstein:3587721
CAS:57-60-3
Gmelin:2502
KEGG:C00022
PMID:17190852
PMID:21603897
PMID:21823181
PMID:21854850
PMID:22006570
PMID:22016370
PMID:22215378
PMID:22311625
PMID:22451307
PMID:22458763
Reaxys:3587721
UM-BBD_compID:c0159
colombos:PYRUVATE
2-oxopropanoate
pyruvate
chebi_ontology
-1
2-oxopropanoate
2-oxopropanoic acid, ion(1-)
87.008
87.05412
C3H3O3
CC(=O)C([O-])=O
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
LCTONWCANYUPML-UHFFFAOYSA-M
CHEBI:15361
pyruvate
Beilstein:3587721
Beilstein
CAS:57-60-3
ChemIDplus
Gmelin:2502
Gmelin
KEGG:C00022
ChEBI
PMID:17190852
Europe PMC
PMID:21603897
Europe PMC
PMID:21823181
Europe PMC
PMID:21854850
Europe PMC
PMID:22006570
Europe PMC
PMID:22016370
Europe PMC
PMID:22215378
Europe PMC
PMID:22311625
Europe PMC
PMID:22451307
Europe PMC
PMID:22458763
Europe PMC
Reaxys:3587721
Reaxys
UM-BBD_compID:c0159
ChEBI
2-oxopropanoate
IUPAC
pyruvate
UniProt
-1
ChEBI
2-oxopropanoate
ChEBI
2-oxopropanoic acid, ion(1-)
ChemIDplus
87.008
ChEBI
87.05412
ChEBI
C3H3O3
ChEBI
CC(=O)C([O-])=O
ChEBI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
ChEBI
LCTONWCANYUPML-UHFFFAOYSA-M
ChEBI
A simple monocarboxylic acid containing two carbons.
CHEBI:22169
CHEBI:2387
CHEBI:40486
Beilstein:506007
CAS:64-19-7
Drug_Central:4211
Gmelin:1380
HMDB:HMDB00042
KEGG:C00033
KEGG:D00010
KNApSAcK:C00001176
LIPID_MAPS_instance:LMFA01010002
MetaCyc:ACET
PDBeChem:ACT
PDBeChem:ACY
PMID:12005138
PMID:15107950
PMID:16630552
PMID:16774200
PMID:17190852
PMID:19416101
PMID:19469536
PMID:22153255
PMID:22173419
Reaxys:506007
Wikipedia:Acetic_acid
ACETIC ACID
Acetic acid
acetic acid
chebi_ontology
0
60.021
60.05200
AcOH
C2H4O2
CC(O)=O
CH3-COOH
CH3CO2H
E 260
E-260
E260
Essigsaeure
Ethanoic acid
Ethylic acid
HOAc
INS No. 260
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
MeCO2H
MeCOOH
Methanecarboxylic acid
QTBSBXVTEAMEQO-UHFFFAOYSA-N
acide acetique
ethoic acid
CHEBI:15366
acetic acid
Beilstein:506007
Beilstein
CAS:64-19-7
ChemIDplus
CAS:64-19-7
KEGG COMPOUND
CAS:64-19-7
NIST Chemistry WebBook
Drug_Central:4211
DrugCentral
Gmelin:1380
Gmelin
LIPID_MAPS_instance:LMFA01010002
LIPID MAPS
PMID:12005138
Europe PMC
PMID:15107950
Europe PMC
PMID:16630552
Europe PMC
PMID:16774200
Europe PMC
PMID:17190852
Europe PMC
PMID:19416101
Europe PMC
PMID:19469536
Europe PMC
PMID:22153255
Europe PMC
PMID:22173419
Europe PMC
Reaxys:506007
Reaxys
ACETIC ACID
PDBeChem
Acetic acid
KEGG_COMPOUND
acetic acid
IUPAC
0
ChEBI
60.021
KEGG_COMPOUND
60.05200
ChEBI
AcOH
ChEBI
C2H4O2
KEGG_COMPOUND
CC(O)=O
ChEBI
CH3-COOH
IUPAC
CH3CO2H
ChEBI
E 260
ChEBI
E-260
ChEBI
E260
ChEBI
Essigsaeure
ChEBI
Ethanoic acid
KEGG_COMPOUND
Ethylic acid
ChemIDplus
HOAc
ChEBI
INS No. 260
ChEBI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
ChEBI
MeCO2H
ChEBI
MeCOOH
ChEBI
Methanecarboxylic acid
ChemIDplus
QTBSBXVTEAMEQO-UHFFFAOYSA-N
ChEBI
acide acetique
ChemIDplus
ethoic acid
ChEBI
CHEBI:10745
CHEBI:13416
CHEBI:23833
CHEBI:25366
CHEBI:30491
CHEBI:44742
CHEBI:7860
CAS:7782-44-7
Gmelin:485
HMDB:HMDB01377
KEGG:C00007
KEGG:D00003
MetaCyc:OXYGEN-MOLECULE
MolBase:750
PDBeChem:OXY
PMID:10906528
PMID:16977326
PMID:18210929
PMID:18638417
PMID:19840863
PMID:7710549
PMID:9463773
Wikipedia:Oxygen
colombos:OXYGEN
dioxygen
chebi_ontology
0
31.990
31.99880
Disauerstoff
E 948
E-948
E948
InChI=1S/O2/c1-2
MYMOFIZGZYHOMD-UHFFFAOYSA-N
O2
O=O
OXYGEN MOLECULE
Oxygen
[OO]
dioxygene
molecular oxygen
CHEBI:15379
dioxygen
CAS:7782-44-7
ChemIDplus
CAS:7782-44-7
KEGG COMPOUND
CAS:7782-44-7
NIST Chemistry WebBook
Gmelin:485
Gmelin
PMID:10906528
Europe PMC
PMID:16977326
Europe PMC
PMID:18210929
Europe PMC
PMID:18638417
Europe PMC
PMID:19840863
Europe PMC
PMID:7710549
Europe PMC
PMID:9463773
Europe PMC
dioxygen
IUPAC
0
ChEBI
31.990
KEGG_COMPOUND
31.99880
ChEBI
Disauerstoff
ChEBI
E 948
ChEBI
E-948
ChEBI
E948
ChEBI
InChI=1S/O2/c1-2
ChEBI
MYMOFIZGZYHOMD-UHFFFAOYSA-N
ChEBI
O2
IUPAC
O2
KEGG_COMPOUND
O2
KEGG_COMPOUND
O2
UniProt
O=O
ChEBI
OXYGEN MOLECULE
PDBeChem
Oxygen
KEGG_COMPOUND
[OO]
MolBase
dioxygene
ChEBI
molecular oxygen
ChEBI
A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.
CHEBI:10786
CHEBI:10833
CHEBI:12742
CHEBI:12757
CHEBI:12760
CHEBI:22036
CHEBI:45607
CHEBI:527887
CHEBI:8946
Beilstein:3576439
CAS:29908-03-0
COMe:MOL000172
DrugBank:DB00118
HMDB:HMDB01185
KEGG:C00019
KNApSAcK:C00007347
MetaCyc:S-ADENOSYLMETHIONINE
PMID:11017945
PMID:17439666
Reaxys:3919754
Wikipedia:S-Adenosyl_methionine
S-Adenosyl-L-methionine
S-adenosyl-L-methionine
[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium
chebi_ontology
(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt
+1
399.145
399.44500
Acylcarnitine
AdoMet
C15H23N6O5S
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
MEFKEPWMEQBLKI-AIRLBKTGSA-O
S-(5'-deoxyadenosin-5'-yl)-L-methionine
S-Adenosylmethionine
S-adenosylmethionine
SAM
SAMe
[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium
CHEBI:15414
S-adenosyl-L-methionine
Beilstein:3576439
Beilstein
CAS:29908-03-0
ChemIDplus
CAS:29908-03-0
KEGG COMPOUND
PMID:11017945
Europe PMC
PMID:17439666
Europe PMC
Reaxys:3919754
Reaxys
S-Adenosyl-L-methionine
KEGG_COMPOUND
S-adenosyl-L-methionine
ChEBI
[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium
IUPAC
(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt
ChemIDplus
+1
ChEBI
399.145
ChEBI
399.44500
ChEBI
Acylcarnitine
KEGG_COMPOUND
AdoMet
JCBN
C15H23N6O5S
ChEBI
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
ChEBI
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
ChEBI
MEFKEPWMEQBLKI-AIRLBKTGSA-O
ChEBI
S-(5'-deoxyadenosin-5'-yl)-L-methionine
JCBN
S-Adenosylmethionine
KEGG_COMPOUND
S-adenosylmethionine
ChEBI
SAM
JCBN
SAMe
ChemIDplus
[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium
IUPAC
An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways.
CHEBI:10789
CHEBI:10841
CHEBI:13236
CHEBI:22249
CHEBI:2359
CHEBI:40938
Beilstein:73010
CAS:56-65-5
DrugBank:DB00171
Drug_Central:91
Gmelin:34857
HMDB:HMDB00538
KEGG:C00002
KEGG:D08646
KNApSAcK:C00001491
PDBeChem:ATP
Patent:US3079379
Reaxys:73010
Wikipedia:Adenosine_triphosphate
ATP
adenosine 5'-(tetrahydrogen triphosphate)
chebi_ontology
0
506.996
507.18100
ADENOSINE-5'-TRIPHOSPHATE
Adenosine 5'-triphosphate
Adenosine triphosphate
C10H16N5O13P3
H4atp
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
CHEBI:15422
ATP
Beilstein:73010
Beilstein
CAS:56-65-5
ChemIDplus
CAS:56-65-5
KEGG COMPOUND
Drug_Central:91
DrugCentral
Gmelin:34857
Gmelin
Reaxys:73010
Reaxys
ATP
KEGG_COMPOUND
adenosine 5'-(tetrahydrogen triphosphate)
IUPAC
0
ChEBI
506.996
KEGG_COMPOUND
507.18100
ChEBI
ADENOSINE-5'-TRIPHOSPHATE
PDBeChem
Adenosine 5'-triphosphate
KEGG_COMPOUND
Adenosine triphosphate
ChemIDplus
C10H16N5O13P3
KEGG_COMPOUND
H4atp
IUPAC
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
ChEBI
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
ChEBI
The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain.
CHEBI:10792
CHEBI:14344
CHEBI:24368
CHEBI:42964
CHEBI:5460
Beilstein:635782
CAS:56-40-6
DrugBank:DB00145
Drug_Central:1319
ECMDB:ECMDB00123
Gmelin:1808
HMDB:HMDB00123
KEGG:C00037
KEGG:D00011
KNApSAcK:C00001361
MetaCyc:GLY
PDBeChem:GLY
PMID:10930630
PMID:11019925
PMID:11174716
PMID:11542461
PMID:11806864
PMID:12631515
PMID:12754315
PMID:12770151
PMID:12921899
PMID:15331688
PMID:15388434
PMID:15710237
PMID:16105183
PMID:16151895
PMID:16214212
PMID:16417482
PMID:16444815
PMID:16664855
PMID:16901953
PMID:16918424
PMID:16986325
PMID:16998855
PMID:17154252
PMID:17383967
PMID:17582620
PMID:17970719
PMID:18079355
PMID:18396796
PMID:18440992
PMID:18593588
PMID:18816054
PMID:18840508
PMID:19028609
PMID:19120667
PMID:19449910
PMID:19526731
PMID:19544666
PMID:19738917
PMID:19916621
PMID:19924257
PMID:21751272
PMID:22044190
PMID:22079563
PMID:22234938
PMID:22264337
PMID:22293292
PMID:22401276
PMID:22434786
Reaxys:635782
Wikipedia:Glycine
YMDB:YMDB00016
GLYCINE
Glycine
aminoacetic acid
glycine
chebi_ontology
0
75.032
75.06664
Aminoacetic acid
Aminoessigsaeure
C2H5NO2
DHMQDGOQFOQNFH-UHFFFAOYSA-N
G
Gly
Glycin
Glycocoll
Glykokoll
Glyzin
H2N-CH2-COOH
Hgly
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
Leimzucker
NCC(O)=O
aminoethanoic acid
CHEBI:15428
glycine
Beilstein:635782
Beilstein
CAS:56-40-6
ChemIDplus
CAS:56-40-6
KEGG COMPOUND
CAS:56-40-6
NIST Chemistry WebBook
Drug_Central:1319
DrugCentral
Gmelin:1808
Gmelin
PMID:10930630
Europe PMC
PMID:11019925
Europe PMC
PMID:11174716
Europe PMC
PMID:11542461
Europe PMC
PMID:11806864
Europe PMC
PMID:12631515
Europe PMC
PMID:12754315
Europe PMC
PMID:12770151
Europe PMC
PMID:12921899
Europe PMC
PMID:15331688
Europe PMC
PMID:15388434
Europe PMC
PMID:15710237
Europe PMC
PMID:16105183
Europe PMC
PMID:16151895
Europe PMC
PMID:16214212
Europe PMC
PMID:16417482
Europe PMC
PMID:16444815
Europe PMC
PMID:16664855
Europe PMC
PMID:16901953
Europe PMC
PMID:16918424
Europe PMC
PMID:16986325
Europe PMC
PMID:16998855
Europe PMC
PMID:17154252
Europe PMC
PMID:17383967
Europe PMC
PMID:17582620
Europe PMC
PMID:17970719
Europe PMC
PMID:18079355
Europe PMC
PMID:18396796
Europe PMC
PMID:18440992
Europe PMC
PMID:18593588
Europe PMC
PMID:18816054
Europe PMC
PMID:18840508
Europe PMC
PMID:19028609
Europe PMC
PMID:19120667
Europe PMC
PMID:19449910
Europe PMC
PMID:19526731
Europe PMC
PMID:19544666
Europe PMC
PMID:19738917
Europe PMC
PMID:19916621
Europe PMC
PMID:19924257
Europe PMC
PMID:21751272
Europe PMC
PMID:22044190
Europe PMC
PMID:22079563
Europe PMC
PMID:22234938
Europe PMC
PMID:22264337
Europe PMC
PMID:22293292
Europe PMC
PMID:22401276
Europe PMC
PMID:22434786
Europe PMC
Reaxys:635782
Reaxys
GLYCINE
PDBeChem
Glycine
KEGG_COMPOUND
aminoacetic acid
IUPAC
glycine
IUPAC
0
ChEBI
75.032
KEGG_COMPOUND
75.06664
ChEBI
Aminoacetic acid
KEGG_COMPOUND
Aminoessigsaeure
ChEBI
C2H5NO2
KEGG_COMPOUND
DHMQDGOQFOQNFH-UHFFFAOYSA-N
ChEBI
G
ChEBI
Gly
KEGG_COMPOUND
Glycin
ChemIDplus
Glycocoll
ChemIDplus
Glykokoll
ChEBI
Glyzin
ChEBI
H2N-CH2-COOH
IUPAC
Hgly
IUPAC
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
ChEBI
Leimzucker
ChemIDplus
NCC(O)=O
ChEBI
aminoethanoic acid
ChEBI
aminoethanoic acid
JCBN
KEGG:C03834
3-Hydroxymonocarboxylic acid
chebi_ontology
0
89.024
89.070
C3H5O3R
OC([*])CC(O)=O
CHEBI:1549
3-hydroxymonocarboxylic acid
3-Hydroxymonocarboxylic acid
KEGG_COMPOUND
0
KEGG_COMPOUND
89.024
KEGG_COMPOUND
89.070
KEGG_COMPOUND
C3H5O3R
KEGG_COMPOUND
OC([*])CC(O)=O
ChEBI
An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid.
CHEBI:14780
CHEBI:25980
CHEBI:8086
CAS:7532-39-0
HMDB:HMDB06503
KEGG:C00582
KNApSAcK:C00007536
PMID:11260461
PMID:2009287
PMID:2553650
PMID:6142928
PMID:666745
PMID:6838224
PMID:8352646
PMID:9297469
Reaxys:8399067
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Phenylacetyl-CoA
Phenylacetyl-coa
chebi_ontology
0
885.157
885.66804
C29H42N7O17P3S
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1
Coenzyme A, S-(benzeneacetate)
InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
Phenylacetyl coenzyme A
Phenylacetyl-coenzyme A
ZIGIFDRJFZYEEQ-CECATXLMSA-N
CHEBI:15537
phenylacetyl-CoA
CAS:7532-39-0
ChemIDplus
PMID:11260461
Europe PMC
PMID:2009287
Europe PMC
PMID:2553650
Europe PMC
PMID:6142928
Europe PMC
PMID:666745
Europe PMC
PMID:6838224
Europe PMC
PMID:8352646
Europe PMC
PMID:9297469
Europe PMC
Reaxys:8399067
Reaxys
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
IUPAC
Phenylacetyl-CoA
KEGG_COMPOUND
Phenylacetyl-coa
ChemIDplus
0
ChEBI
885.157
KEGG_COMPOUND
885.66804
ChEBI
C29H42N7O17P3S
KEGG_COMPOUND
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1
ChEBI
Coenzyme A, S-(benzeneacetate)
ChemIDplus
InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
ChEBI
Phenylacetyl coenzyme A
KEGG_COMPOUND
Phenylacetyl-coenzyme A
ChemIDplus
ZIGIFDRJFZYEEQ-CECATXLMSA-N
ChEBI
The D-enantiomer of alanine.
CHEBI:10840
CHEBI:12899
CHEBI:20893
CHEBI:4087
CHEBI:41756
CHEBI:41798
CHEBI:41848
CHEBI:41877
Beilstein:1720249
CAS:338-69-2
DrugBank:DB01786
ECMDB:ECMDB01310
Gmelin:82157
HMDB:HMDB01310
KEGG:C00133
KNApSAcK:C00019654
MetaCyc:D-ALANINE
PDBeChem:DAL
PMID:10977898
PMID:1450921
PMID:22005737
PMID:22075031
PMID:22123251
PMID:22313760
PMID:3275662
Reaxys:1720249
YMDB:YMDB00993
D-Alanine
D-alanine
chebi_ontology
(2R)-2-aminopropanoic acid
(R)-2-aminopropanoic acid
(R)-alanine
0
89.048
89.09322
C3H7NO2
C[C@@H](N)C(O)=O
D-2-Aminopropionic acid
D-Ala
D-Alanin
D-alpha-alanine
D-alpha-aminopropionic acid
DAL
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
QNAYBMKLOCPYGJ-UWTATZPHSA-N
CHEBI:15570
D-alanine
Beilstein:1720249
Beilstein
CAS:338-69-2
ChemIDplus
CAS:338-69-2
KEGG COMPOUND
CAS:338-69-2
NIST Chemistry WebBook
Gmelin:82157
Gmelin
PMID:10977898
Europe PMC
PMID:1450921
Europe PMC
PMID:22005737
Europe PMC
PMID:22075031
Europe PMC
PMID:22123251
Europe PMC
PMID:22313760
Europe PMC
PMID:3275662
Europe PMC
Reaxys:1720249
Reaxys
D-Alanine
KEGG_COMPOUND
D-alanine
IUPAC
(2R)-2-aminopropanoic acid
IUPAC
(R)-2-aminopropanoic acid
ChEBI
(R)-alanine
NIST_Chemistry_WebBook
0
ChEBI
89.048
KEGG_COMPOUND
89.09322
ChEBI
C3H7NO2
KEGG_COMPOUND
C[C@@H](N)C(O)=O
ChEBI
D-2-Aminopropionic acid
KEGG_COMPOUND
D-Ala
KEGG_COMPOUND
D-Alanin
ChEBI
D-alpha-alanine
NIST_Chemistry_WebBook
D-alpha-aminopropionic acid
ChEBI
DAL
PDBeChem
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
ChEBI
QNAYBMKLOCPYGJ-UWTATZPHSA-N
ChEBI
An optically active form of malate having (R)-configuration.
CHEBI:11002
CHEBI:18685
KEGG:C00497
MetaCyc:CPD-660
(2R)-2-hydroxybutanedioate
chebi_ontology
(R)-malate
-2
132.006
132.07156
BJEPYKJPYRNKOW-UWTATZPHSA-L
C4H4O5
D-malate
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1
O[C@H](CC([O-])=O)C([O-])=O
CHEBI:15588
(R)-malate(2-)
KEGG:C00497
ChEBI
(2R)-2-hydroxybutanedioate
IUPAC
(R)-malate
UniProt
-2
ChEBI
132.006
ChEBI
132.07156
ChEBI
BJEPYKJPYRNKOW-UWTATZPHSA-L
ChEBI
C4H4O5
ChEBI
D-malate
ChEBI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m1/s1
ChEBI
O[C@H](CC([O-])=O)C([O-])=O
ChEBI
An optically active form of malate having (S)-configuration.
CHEBI:11066
CHEBI:13140
CHEBI:18784
Beilstein:4133558
KEGG:C00149
MetaCyc:MAL
Reaxys:4133558
(2S)-2-hydroxybutanedioate
chebi_ontology
(S)-malate
-2
132.006
132.07156
BJEPYKJPYRNKOW-REOHCLBHSA-L
C4H4O5
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
L-malate
O[C@@H](CC([O-])=O)C([O-])=O
CHEBI:15589
(S)-malate(2-)
Beilstein:4133558
Beilstein
KEGG:C00149
ChEBI
Reaxys:4133558
Reaxys
(2S)-2-hydroxybutanedioate
IUPAC
(S)-malate
UniProt
-2
ChEBI
132.006
ChEBI
132.07156
ChEBI
BJEPYKJPYRNKOW-REOHCLBHSA-L
ChEBI
C4H4O5
ChEBI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
ChEBI
L-malate
ChEBI
O[C@@H](CC([O-])=O)C([O-])=O
ChEBI
A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid.
CHEBI:14556
CHEBI:25114
Beilstein:3664410
CAS:149-61-1
Gmelin:327305
KEGG:C00711
PMID:17190852
Reaxys:3664410
2-hydroxybutanedioate
chebi_ontology
-2
132.006
132.07156
BJEPYKJPYRNKOW-UHFFFAOYSA-L
C4H4O5
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
OC(CC([O-])=O)C([O-])=O
hydroxybutanedioic acid, ion(2-)
mal
malate anion
malate dianion
CHEBI:15595
malate(2-)
Beilstein:3664410
Beilstein
CAS:149-61-1
ChemIDplus
Gmelin:327305
Gmelin
KEGG:C00711
ChEBI
PMID:17190852
Europe PMC
Reaxys:3664410
Reaxys
2-hydroxybutanedioate
IUPAC
-2
ChEBI
132.006
ChEBI
132.07156
ChEBI
BJEPYKJPYRNKOW-UHFFFAOYSA-L
ChEBI
C4H4O5
ChEBI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
ChEBI
OC(CC([O-])=O)C([O-])=O
ChEBI
hydroxybutanedioic acid, ion(2-)
ChemIDplus
mal
IUPAC
malate anion
ChEBI
malate dianion
ChEBI
CHEBI:18710
CHEBI:358
CHEBI:45866
Beilstein:1725147
Beilstein:4231301
CAS:526-83-0
CAS:87-69-4
Drug_Central:2566
Gmelin:82690
KEGG:C00898
PDBeChem:TLA
(2R,3R)-2,3-dihydroxybutanedioic acid
L-Tartaric acid
chebi_ontology
(+)-(R,R)-tartaric acid
(+)-L-tartaric acid
(+)-Tartaric acid
(+)-Weinsaeure
(+)-tartaric acid
(2R,3R)-2,3-Dihydroxybernsteinsaeure
(2R,3R)-2,3-dihydroxysuccinic acid
(2R,3R)-Tartaric acid
(2R,3R)-tartaric acid
(R,R)-(+)-tartaric acid
(R,R)-Tartaric acid
0
150.016
150.08684
C4H6O6
FEWJPZIEWOKRBE-JCYAYHJZSA-N
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
L(+)-TARTARIC ACID
L-threaric acid
O[C@H]([C@@H](O)C(O)=O)C(O)=O
Rechtsweinsaeure
Weinsteinsaeure
CHEBI:15671
L-tartaric acid
Beilstein:1725147
Beilstein
Beilstein:4231301
Beilstein
CAS:526-83-0
ChemIDplus
CAS:87-69-4
ChemIDplus
CAS:87-69-4
KEGG COMPOUND
CAS:87-69-4
NIST Chemistry WebBook
Drug_Central:2566
DrugCentral
Gmelin:82690
Gmelin
(2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC
L-Tartaric acid
KEGG_COMPOUND
(+)-(R,R)-tartaric acid
ChemIDplus
(+)-L-tartaric acid
ChemIDplus
(+)-Tartaric acid
KEGG_COMPOUND
(+)-Weinsaeure
ChEBI
(+)-tartaric acid
IUPAC
(2R,3R)-2,3-Dihydroxybernsteinsaeure
ChemIDplus
(2R,3R)-2,3-dihydroxysuccinic acid
ChEBI
(2R,3R)-Tartaric acid
KEGG_COMPOUND
(2R,3R)-tartaric acid
IUPAC
(R,R)-(+)-tartaric acid
NIST_Chemistry_WebBook
(R,R)-Tartaric acid
KEGG_COMPOUND
0
ChEBI
150.016
KEGG_COMPOUND
150.08684
ChEBI
C4H6O6
KEGG_COMPOUND
FEWJPZIEWOKRBE-JCYAYHJZSA-N
ChEBI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
ChEBI
L(+)-TARTARIC ACID
PDBeChem
L-threaric acid
IUPAC
O[C@H]([C@@H](O)C(O)=O)C(O)=O
ChEBI
Rechtsweinsaeure
ChEBI
Weinsteinsaeure
ChemIDplus
The D-enantiomer of tartaric acid.
CHEBI:18806
CHEBI:446
CHEBI:45873
Beilstein:1725145
Beilstein:4666810
CAS:147-71-7
DrugBank:DB01694
Gmelin:50225
HMDB:HMDB29878
KEGG:C02107
MetaCyc:D-TARTRATE
PDBeChem:TAR
Reaxys:1725145
(2S,3S)-2,3-dihydroxybutanedioic acid
D-Tartaric acid
chebi_ontology
(-)-(S,S)-tartaric acid
(-)-D-tartaric acid
(-)-Tartaric acid
(-)-Weinsaeure
(-)-tartaric acid
(2S,3S)-(-)-tartaric acid
(2S,3S)-Tartaric acid
(2S,3S)-tartaric acid
(S,S)-(-)-tartaric acid
(S,S)-Tartaric acid
0
150.016
150.08684
C4H6O6
D(-)-TARTARIC ACID
D-(-)-tartaric acid
D-threaric acid
FEWJPZIEWOKRBE-LWMBPPNESA-N
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
Linksweinsaeure
O[C@@H]([C@H](O)C(O)=O)C(O)=O
CHEBI:15672
D-tartaric acid
Beilstein:1725145
Beilstein
Beilstein:4666810
Beilstein
CAS:147-71-7
ChemIDplus
CAS:147-71-7
KEGG COMPOUND
CAS:147-71-7
NIST Chemistry WebBook
Gmelin:50225
Gmelin
Reaxys:1725145
Reaxys
(2S,3S)-2,3-dihydroxybutanedioic acid
IUPAC
D-Tartaric acid
KEGG_COMPOUND
(-)-(S,S)-tartaric acid
ChemIDplus
(-)-D-tartaric acid
ChemIDplus
(-)-Tartaric acid
KEGG_COMPOUND
(-)-Weinsaeure
ChEBI
(-)-tartaric acid
IUPAC
(2S,3S)-(-)-tartaric acid
ChemIDplus
(2S,3S)-Tartaric acid
KEGG_COMPOUND
(2S,3S)-tartaric acid
IUPAC
(S,S)-(-)-tartaric acid
ChemIDplus
(S,S)-Tartaric acid
KEGG_COMPOUND
0
ChEBI
150.016
KEGG_COMPOUND
150.08684
ChEBI
C4H6O6
KEGG_COMPOUND
D(-)-TARTARIC ACID
PDBeChem
D-(-)-tartaric acid
ChemIDplus
D-threaric acid
IUPAC
FEWJPZIEWOKRBE-LWMBPPNESA-N
ChEBI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
ChEBI
Linksweinsaeure
ChEBI
O[C@@H]([C@H](O)C(O)=O)C(O)=O
ChEBI
A 2,3-dihydroxybutanedioic acid that has meso configuration.
CHEBI:10599
CHEBI:25206
CHEBI:45680
Beilstein:1725146
Beilstein:4666811
CAS:147-73-9
Gmelin:3214
KEGG:C00552
PDBeChem:SRT
(2R,3S)-2,3-dihydroxybutanedioic acid
meso-Tartaric acid
meso-tartaric acid
chebi_ontology
(2R,3S)-2,3-dihydroxysuccinic acid
(2R,3S)-rel-2,3-dihydroxybutanedioic acid
(2R,3S)-tartaric acid
(R*,S*)-2,3-dihydroxybutanedioic acid
0
150.016
150.08684
C4H6O6
FEWJPZIEWOKRBE-XIXRPRMCSA-N
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
Mesoweinsaeure
O[C@@H]([C@@H](O)C(O)=O)C(O)=O
S,R MESO-TARTARIC ACID
erythraric acid
internally compensated tartaric acid
m-tartaric acid
mesotartaric acid
unresolvable tartaric acid
CHEBI:15673
meso-tartaric acid
Beilstein:1725146
Beilstein
Beilstein:4666811
Beilstein
CAS:147-73-9
ChemIDplus
CAS:147-73-9
KEGG COMPOUND
CAS:147-73-9
NIST Chemistry WebBook
Gmelin:3214
Gmelin
(2R,3S)-2,3-dihydroxybutanedioic acid
IUPAC
meso-Tartaric acid
KEGG_COMPOUND
meso-tartaric acid
IUPAC
meso-tartaric acid
UniProt
(2R,3S)-2,3-dihydroxysuccinic acid
ChEBI
(2R,3S)-rel-2,3-dihydroxybutanedioic acid
ChemIDplus
(2R,3S)-tartaric acid
IUPAC
(R*,S*)-2,3-dihydroxybutanedioic acid
ChemIDplus
0
ChEBI
150.016
KEGG_COMPOUND
150.08684
ChEBI
C4H6O6
KEGG_COMPOUND
FEWJPZIEWOKRBE-XIXRPRMCSA-N
ChEBI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
ChEBI
Mesoweinsaeure
ChEBI
O[C@@H]([C@@H](O)C(O)=O)C(O)=O
ChEBI
S,R MESO-TARTARIC ACID
PDBeChem
erythraric acid
IUPAC
internally compensated tartaric acid
NIST_Chemistry_WebBook
m-tartaric acid
ChEBI
mesotartaric acid
ChemIDplus
unresolvable tartaric acid
NIST_Chemistry_WebBook
A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3.
CHEBI:9404
CAS:87-69-4
Gmelin:27021
KEGG:C00898
KEGG:D00103
KNApSAcK:C00001206
Reaxys:510169
Wikipedia:Tartaric_Acid
2,3-dihydroxybutanedioic acid
chebi_ontology
(+)-Tartaric acid
(2R,3R)-Tartaric acid
(R,R)-Tartrate
0
150.016
150.08684
2,3-dihydroxysuccinic acid
C4H6O6
FEWJPZIEWOKRBE-UHFFFAOYSA-N
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
L-Tartaric acid
OC(C(O)C(O)=O)C(O)=O
Tartaric acid
CHEBI:15674
2,3-dihydroxybutanedioic acid
CAS:87-69-4
KEGG COMPOUND
Gmelin:27021
Gmelin
Reaxys:510169
Reaxys
2,3-dihydroxybutanedioic acid
IUPAC
(+)-Tartaric acid
KEGG_COMPOUND
(2R,3R)-Tartaric acid
KEGG_COMPOUND
(R,R)-Tartrate
KEGG_COMPOUND
0
ChEBI
150.016
ChEBI
150.08684
ChEBI
2,3-dihydroxysuccinic acid
ChEBI
C4H6O6
ChEBI
FEWJPZIEWOKRBE-UHFFFAOYSA-N
ChEBI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
ChEBI
L-Tartaric acid
KEGG_COMPOUND
OC(C(O)C(O)=O)C(O)=O
ChEBI
Tartaric acid
KEGG_COMPOUND
An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen.
CHEBI:13761
CHEBI:22354
CHEBI:2594
CAS:97-59-6
Drug_Central:4268
HMDB:HMDB00462
KEGG:C01551
KEGG:D00121
KNApSAcK:C00007468
LINCS:LSM-5190
MetaCyc:ALLANTOIN
PMID:11157020
PMID:14619112
PMID:17190852
Patent:US2158098
Reaxys:83514
Wikipedia:Allantoin
Allantoin
N-(2,5-dioxoimidazolidin-4-yl)urea
allantoin
chebi_ontology
(2,5-Dioxo-4-imidazolidinyl)urea
0
158.044
158.11560
2,5-Dioxo-4-imidazolidinyl-urea
4-ureido-2,5-imidazolidinedione
5-Ureido-2,4-imidazolidindione
5-Ureidohydantoin
C4H6N4O3
Glyoxyldiureide
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
N-(2,5-Dioxo-4-imidazolidinyl)urea
NC(=O)NC1NC(=O)NC1=O
POJWUDADGALRAB-UHFFFAOYSA-N
CHEBI:15676
allantoin
CAS:97-59-6
ChemIDplus
CAS:97-59-6
KEGG COMPOUND
CAS:97-59-6
NIST Chemistry WebBook
Drug_Central:4268
DrugCentral
PMID:11157020
Europe PMC
PMID:14619112
Europe PMC
PMID:17190852
Europe PMC
Reaxys:83514
Reaxys
Allantoin
KEGG_COMPOUND
N-(2,5-dioxoimidazolidin-4-yl)urea
IUPAC
allantoin
UniProt
(2,5-Dioxo-4-imidazolidinyl)urea
ChemIDplus
0
ChEBI
158.044
KEGG_COMPOUND
158.11560
ChEBI
2,5-Dioxo-4-imidazolidinyl-urea
NIST_Chemistry_WebBook
4-ureido-2,5-imidazolidinedione
HMDB
5-Ureido-2,4-imidazolidindione
ChemIDplus
5-Ureidohydantoin
KEGG_COMPOUND
C4H6N4O3
KEGG_COMPOUND
Glyoxyldiureide
KEGG_COMPOUND
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
ChEBI
N-(2,5-Dioxo-4-imidazolidinyl)urea
HMDB
NC(=O)NC1NC(=O)NC1=O
ChEBI
POJWUDADGALRAB-UHFFFAOYSA-N
ChEBI
Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.
CHEBI:13755
CHEBI:22305
CHEBI:2561
KEGG:C01370
Wikipedia:Aldose
Aldose
chebi_ontology
0
90.07790
C2H4O2(CH2O)n
aldoses
an aldose
CHEBI:15693
aldose
Aldose
KEGG_COMPOUND
0
ChEBI
90.07790
ChEBI
C2H4O2(CH2O)n
ChEBI
aldoses
ChEBI
an aldose
UniProt
Any alpha-amino acid having L-configuration at the alpha-carbon.
CHEBI:13072
CHEBI:13243
CHEBI:13797
CHEBI:21224
CHEBI:6175
KEGG:C00151
L-alpha-amino acid
L-alpha-amino acids
chebi_ontology
0
74.024
74.05870
C2H4NO2R
L-2-Amino acid
L-Amino acid
L-alpha-amino acids
N[C@@H]([*])C(O)=O
CHEBI:15705
L-alpha-amino acid
L-alpha-amino acid
IUPAC
L-alpha-amino acids
IUPAC
0
ChEBI
74.024
ChEBI
74.05870
ChEBI
C2H4NO2R
ChEBI
L-2-Amino acid
KEGG_COMPOUND
L-Amino acid
KEGG_COMPOUND
L-alpha-amino acids
ChEBI
N[C@@H]([*])C(O)=O
ChEBI
A pyrimidine ribonucleoside 5'-triphosphate having uracil as the nucleobase.
CHEBI:13510
CHEBI:27233
CHEBI:9850
Beilstein:71520
CAS:63-39-8
DrugBank:DB04005
Drug_Central:3639
Gmelin:307896
KEGG:C00075
PDBeChem:UTP
UTP
uridine 5'-(tetrahydrogen triphosphate)
chebi_ontology
0
483.969
484.14116
5'-UTP
C9H15N2O15P3
H4utp
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
PGAVKCOVUIYSFO-XVFCMESISA-N
Uridine 5'-triphosphate
Uridine triphosphate
uridine 5'-triphosphoric acid
CHEBI:15713
UTP
Beilstein:71520
Beilstein
CAS:63-39-8
ChemIDplus
CAS:63-39-8
KEGG COMPOUND
Drug_Central:3639
DrugCentral
Gmelin:307896
Gmelin
UTP
KEGG_COMPOUND
uridine 5'-(tetrahydrogen triphosphate)
IUPAC
0
ChEBI
483.969
KEGG_COMPOUND
484.14116
ChEBI
5'-UTP
ChemIDplus
C9H15N2O15P3
KEGG_COMPOUND
H4utp
ChEBI
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
ChEBI
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
ChEBI
PGAVKCOVUIYSFO-XVFCMESISA-N
ChEBI
Uridine 5'-triphosphate
KEGG_COMPOUND
Uridine triphosphate
KEGG_COMPOUND
uridine 5'-triphosphoric acid
ChemIDplus
A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.
CHEBI:15262
CHEBI:15263
CHEBI:27126
CHEBI:9733
Beilstein:1734787
CAS:1184-78-7
Gmelin:1839
HMDB:HMDB00925
KEGG:C01104
MetaCyc:TRIMENTHLAMINE-N-O
PDBeChem:TMO
PMID:12683801
PMID:1453985
PMID:17697669
PMID:19425246
PMID:22770225
PMID:3170512
PMID:3674879
Reaxys:1734787
Wikipedia:Trimethylamine_oxide
N,N-dimethylmethanamine oxide
Trimethylamine N-oxide
trimethylamine N-oxide
chebi_ontology
(CH3)3NO
0
75.068
75.110
C3H9NO
C[N+](C)([O-])C
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
Me3N(+)O(-)
Me3N(O)
N(CH3)3O
TMAO
Trimethylaminoxid
UYPYRKYUKCHHIB-UHFFFAOYSA-N
trimethylamine oxide
trimethyloxamine
CHEBI:15724
trimethylamine N-oxide
Beilstein:1734787
Beilstein
CAS:1184-78-7
ChemIDplus
CAS:1184-78-7
KEGG COMPOUND
CAS:1184-78-7
NIST Chemistry WebBook
Gmelin:1839
Gmelin
PMID:12683801
Europe PMC
PMID:1453985
Europe PMC
PMID:17697669
Europe PMC
PMID:19425246
Europe PMC
PMID:22770225
Europe PMC
PMID:3170512
Europe PMC
PMID:3674879
Europe PMC
Reaxys:1734787
Reaxys
N,N-dimethylmethanamine oxide
IUPAC
Trimethylamine N-oxide
KEGG_COMPOUND
trimethylamine N-oxide
UniProt
(CH3)3NO
IUPAC
0
ChEBI
75.068
ChEBI
75.110
ChEBI
C3H9NO
ChEBI
C[N+](C)([O-])C
ChEBI
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
ChEBI
Me3N(+)O(-)
ChEBI
Me3N(O)
ChEBI
N(CH3)3O
ChEBI
TMAO
NIST_Chemistry_WebBook
Trimethylaminoxid
ChEBI
UYPYRKYUKCHHIB-UHFFFAOYSA-N
ChEBI
trimethylamine oxide
NIST_Chemistry_WebBook
trimethyloxamine
ChemIDplus
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.
CHEBI:13676
CHEBI:14887
CHEBI:26262
CHEBI:57489
CHEBI:8406
KEGG:C00226
Primary alcohol
chebi_ontology
0
1-Alcohol
31.018
31.03390
CH3OR
[H]C([H])(O)[*]
a primary alcohol
primary alcohols
CHEBI:15734
primary alcohol
Primary alcohol
KEGG_COMPOUND
0
ChEBI
1-Alcohol
KEGG_COMPOUND
31.018
ChEBI
31.03390
ChEBI
CH3OR
ChEBI
[H]C([H])(O)[*]
ChEBI
a primary alcohol
UniProt
primary alcohols
ChEBI
A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.
CHEBI:14276
CHEBI:24081
Beilstein:1901205
CAS:71-47-6
Gmelin:1006
HMDB:HMDB00142
KEGG:C00058
MetaCyc:FORMATE
PMID:17190852
PMID:3946945
Reaxys:1901205
UM-BBD_compID:c0106
Wikipedia:Formate
colombos:FORMATE
formate
chebi_ontology
-1
44.998
45.01744
BDAGIHXWWSANSR-UHFFFAOYSA-M
CHO2
HCO2 anion
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
[H]C([O-])=O
aminate
formiate
formic acid, ion(1-)
formylate
hydrogen carboxylate
methanoate
CHEBI:15740
formate
Beilstein:1901205
Beilstein
CAS:71-47-6
ChemIDplus
CAS:71-47-6
NIST Chemistry WebBook
Gmelin:1006
Gmelin
PMID:17190852
Europe PMC
PMID:3946945
Europe PMC
Reaxys:1901205
Reaxys
UM-BBD_compID:c0106
ChEBI
formate
IUPAC
formate
UniProt
-1
ChEBI
44.998
ChEBI
45.01744
ChEBI
BDAGIHXWWSANSR-UHFFFAOYSA-M
ChEBI
CHO2
ChEBI
HCO2 anion
NIST_Chemistry_WebBook
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
ChEBI
[H]C([O-])=O
ChEBI
aminate
ChEBI
formiate
ChEBI
formic acid, ion(1-)
ChemIDplus
formylate
ChEBI
hydrogen carboxylate
ChEBI
methanoate
ChEBI
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.
CHEBI:22943
CHEBI:26807
CHEBI:45639
CHEBI:9304
Beilstein:1754069
CAS:110-15-6
DrugBank:DB00139
Drug_Central:2487
ECMDB:ECMDB00254
Gmelin:2785
HMDB:HMDB00254
KEGG:C00042
KNApSAcK:C00001205
LIPID_MAPS_instance:LMFA01170043
MetaCyc:SUC
PDBeChem:SIN
PMID:17439666
Reaxys:1754069
Wikipedia:Succinic_acid
YMDB:YMDB00338
SUCCINIC ACID
Succinic acid
butanedioic acid
succinic acid
chebi_ontology
0
1,2-ethanedicarboxylic acid
118.027
118.08800
Bernsteinsaeure
Butandisaeure
Butanedionic acid
C4H6O4
Dihydrofumaric acid
E363
Ethylenesuccinic acid
HOOC-CH2-CH2-COOH
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
KDYFGRWQOYBRFD-UHFFFAOYSA-N
OC(=O)CCC(O)=O
acide butanedioique
acide succinique
acidum succinicum
amber acid
asuccin
spirit of amber
CHEBI:15741
succinic acid
Beilstein:1754069
Beilstein
CAS:110-15-6
ChemIDplus
CAS:110-15-6
KEGG COMPOUND
CAS:110-15-6
NIST Chemistry WebBook
Drug_Central:2487
DrugCentral
Gmelin:2785
Gmelin
LIPID_MAPS_instance:LMFA01170043
LIPID MAPS
PMID:17439666
Europe PMC
Reaxys:1754069
Reaxys
SUCCINIC ACID
PDBeChem
Succinic acid
KEGG_COMPOUND
butanedioic acid
IUPAC
succinic acid
IUPAC
0
ChEBI
1,2-ethanedicarboxylic acid
ChemIDplus
118.027
KEGG_COMPOUND
118.08800
ChEBI
Bernsteinsaeure
ChEBI
Butandisaeure
ChemIDplus
Butanedionic acid
KEGG_COMPOUND
C4H6O4
KEGG_COMPOUND
Dihydrofumaric acid
HMDB
E363
ChEBI
Ethylenesuccinic acid
KEGG_COMPOUND
HOOC-CH2-CH2-COOH
IUPAC
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
ChEBI
KDYFGRWQOYBRFD-UHFFFAOYSA-N
ChEBI
OC(=O)CCC(O)=O
ChEBI
acide butanedioique
ChEBI
acide succinique
ChEBI
acidum succinicum
ChemIDplus
amber acid
NIST_Chemistry_WebBook
asuccin
NIST_Chemistry_WebBook
spirit of amber
ChEBI
A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine.
CHEBI:15276
CHEBI:27174
CHEBI:9799
Beilstein:1099914
CAS:51-67-2
Drug_Central:2784
Gmelin:82946
HMDB:HMDB00306
KEGG:C00483
KNApSAcK:C00001435
LINCS:LSM-19016
MetaCyc:TYRAMINE
PDBeChem:AEF
PMID:11919655
PMID:12183041
PMID:12811595
PMID:15000446
PMID:15848803
PMID:18422653
PMID:18970430
PMID:19137318
PMID:19189084
PMID:21570963
PMID:21628600
PMID:21651557
PMID:21679153
PMID:21850574
PMID:21909937
PMID:22735334
PMID:3137238
Reaxys:1099914
Wikipedia:Tyramine
4-(2-aminoethyl)phenol
Tyramine
chebi_ontology
0
137.084
137.17900
2-(p-Hydroxyphenyl)ethylamine
4-Hydroxy-beta-phenylethylamine
4-Hydroxyphenylethylamine
4-hydroxyphenethylamine
C8H11NO
DZGWFCGJZKJUFP-UHFFFAOYSA-N
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
NCCc1ccc(O)cc1
Tyramin
beta-(4-Hydroxyphenyl)ethylamine
p-(2-Aminoethyl)phenol
p-(2-aminoethyl)phenol
p-hydroxyphenethylamine
p-hydroxyphenylethylamine
p-tyramine
CHEBI:15760
tyramine
Beilstein:1099914
ChemIDplus
CAS:51-67-2
ChemIDplus
CAS:51-67-2
KEGG COMPOUND
CAS:51-67-2
NIST Chemistry WebBook
Drug_Central:2784
DrugCentral
Gmelin:82946
Gmelin
PMID:11919655
Europe PMC
PMID:12183041
Europe PMC
PMID:12811595
Europe PMC
PMID:15000446
Europe PMC
PMID:15848803
Europe PMC
PMID:18422653
Europe PMC
PMID:18970430
Europe PMC
PMID:19137318
Europe PMC
PMID:19189084
Europe PMC
PMID:21570963
Europe PMC
PMID:21628600
Europe PMC
PMID:21651557
Europe PMC
PMID:21679153
Europe PMC
PMID:21850574
Europe PMC
PMID:21909937
Europe PMC
PMID:22735334
Europe PMC
PMID:3137238
Europe PMC
Reaxys:1099914
Reaxys
4-(2-aminoethyl)phenol
IUPAC
Tyramine
KEGG_COMPOUND
0
ChEBI
137.084
KEGG_COMPOUND
137.17900
ChEBI
2-(p-Hydroxyphenyl)ethylamine
KEGG_COMPOUND
4-Hydroxy-beta-phenylethylamine
HMDB
4-Hydroxyphenylethylamine
HMDB
4-hydroxyphenethylamine
ChEBI
C8H11NO
KEGG_COMPOUND
DZGWFCGJZKJUFP-UHFFFAOYSA-N
ChEBI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
ChEBI
NCCc1ccc(O)cc1
ChEBI
Tyramin
ChemIDplus
beta-(4-Hydroxyphenyl)ethylamine
HMDB
p-(2-Aminoethyl)phenol
HMDB
p-(2-aminoethyl)phenol
ChEBI
p-hydroxyphenethylamine
HMDB
p-hydroxyphenylethylamine
HMDB
p-tyramine
HMDB
Any N-acyl-amino acid in which the amino acid moiety has D configuration.
CHEBI:12474
CHEBI:21631
CHEBI:7224
chebi_ontology
0
101.011
101.06080
C3H3NO3R2
OC(=O)[C@@H]([*])NC([*])=O
CHEBI:15778
N-acyl-D-amino acid
0
ChEBI
101.011
ChEBI
101.06080
ChEBI
C3H3NO3R2
ChEBI
OC(=O)[C@@H]([*])NC([*])=O
ChEBI
An N-acyl-D-glucosamine 6-phosphate that is the N-acetyl derivative of D-glucosamine 6-phosphate. It is a component of the aminosugar metabolism.
CHEBI:12456
CHEBI:12564
CHEBI:21521
CHEBI:7127
DrugBank:DB03951
HMDB:HMDB01062
KEGG:C00357
KNApSAcK:C00019661
PMID:17077487
PMID:8125098
PMID:8747459
Reaxys:2337906
2-acetamido-2-deoxy-D-glucopyranose 6-(dihydrogen phosphate)
N-Acetyl-D-glucosamine 6-phosphate
N-acetyl-D-glucosamine 6-phosphate
chebi_ontology
0
2-acetamido-2-deoxy-6-O-phosphono-D-glucopyranose
301.056
301.18774
BRGMHAYQAZFZDJ-RTRLPJTCSA-N
C8H16NO9P
CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
CHEBI:15784
N-acetyl-D-glucosamine 6-phosphate
PMID:17077487
Europe PMC
PMID:8125098
Europe PMC
PMID:8747459
Europe PMC
Reaxys:2337906
Reaxys
2-acetamido-2-deoxy-D-glucopyranose 6-(dihydrogen phosphate)
IUPAC
N-Acetyl-D-glucosamine 6-phosphate
KEGG_COMPOUND
N-acetyl-D-glucosamine 6-phosphate
ChEBI
0
ChEBI
2-acetamido-2-deoxy-6-O-phosphono-D-glucopyranose
ChEBI
301.056
KEGG_COMPOUND
301.18774
ChEBI
BRGMHAYQAZFZDJ-RTRLPJTCSA-N
ChEBI
C8H16NO9P
KEGG_COMPOUND
CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
ChEBI
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
ChEBI
A D-alpha-amino acid that is the D-isomer of arginine.
CHEBI:12917
CHEBI:20917
CHEBI:4106
CHEBI:41855
Beilstein:1725412
CAS:157-06-2
DrugBank:DB04027
Gmelin:364938
HMDB:HMDB03416
KEGG:C00792
MetaCyc:CPD-220
PDBeChem:DAR
PMID:15540275
PMID:15723827
PMID:16912865
PMID:19651461
PMID:22518022
Reaxys:1725412
D-Arginine
D-arginine
chebi_ontology
(2R)-2-amino-5-(carbamimidamido)pentanoic acid
(2R)-2-amino-5-guanidinopentanoic acid
(R)-2-amino-5-guanidinopentanoic acid
0
174.112
174.20100
C6H14N4O2
D-2-Amino-5-guanidinovaleric acid
D-Arginin
DAR
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)/t4-/m1/s1
N[C@H](CCCNC(N)=N)C(O)=O
ODKSFYDXXFIFQN-SCSAIBSYSA-N
CHEBI:15816
D-arginine
Beilstein:1725412
Beilstein
CAS:157-06-2
ChemIDplus
CAS:157-06-2
KEGG COMPOUND
CAS:157-06-2
NIST Chemistry WebBook
Gmelin:364938
Gmelin
PMID:15540275
Europe PMC
PMID:15723827
Europe PMC
PMID:16912865
Europe PMC
PMID:19651461
Europe PMC
PMID:22518022
Europe PMC
Reaxys:1725412
Reaxys
D-Arginine
KEGG_COMPOUND
D-arginine
IUPAC
(2R)-2-amino-5-(carbamimidamido)pentanoic acid
IUPAC
(2R)-2-amino-5-guanidinopentanoic acid
JCBN
(R)-2-amino-5-guanidinopentanoic acid
ChEBI
0
ChEBI
174.112
ChEBI
174.20100
ChEBI
C6H14N4O2
ChEBI
D-2-Amino-5-guanidinovaleric acid
KEGG_COMPOUND
D-Arginin
ChEBI
DAR
PDBeChem
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)/t4-/m1/s1
ChEBI
N[C@H](CCCNC(N)=N)C(O)=O
ChEBI
ODKSFYDXXFIFQN-SCSAIBSYSA-N
ChEBI
Fructose is a levorotatory monosaccharide and an isomer of glucose. Although fructose is a hexose (6 carbon sugar), it generally exists as a 5-member hemiketal ring (a furanose).
CHEBI:12923
CHEBI:20929
CHEBI:4118
CAS:57-48-7
HMDB:HMDB00660
KEGG:C00095
MetaCyc:FRU
PDBeChem:FRU
PMID:22735334
D-arabino-hex-2-ulose
D-fructose
chebi_ontology
0
180.15588
C6H12O6
D-Fru
D-arabino-Hexulose
D-laevulose
Fruit sugar
Laevulose
Levulose
CHEBI:15824
D-fructose
CAS:57-48-7
ChemIDplus
CAS:57-48-7
KEGG COMPOUND
PMID:22735334
Europe PMC
D-arabino-hex-2-ulose
IUPAC
D-fructose
IUPAC
0
ChEBI
180.15588
ChEBI
C6H12O6
KEGG_COMPOUND
D-Fru
JCBN
D-arabino-Hexulose
KEGG_COMPOUND
D-laevulose
ChEBI
Fruit sugar
KEGG_COMPOUND
Laevulose
ChEBI
Levulose
KEGG_COMPOUND
CHEBI:13918
CHEBI:3178
CHEBI:49515
Beilstein:3587179
CAS:24959-67-9
Gmelin:14908
KEGG:C00720
KEGG:C01324
PDBeChem:BR
Bromide
bromide
bromide(1-)
chebi_ontology
-1
78.918
79.90400
BROMIDE ION
Br
Br(-)
Br-
CPELXLSAUQHCOX-UHFFFAOYSA-M
InChI=1S/BrH/h1H/p-1
[Br-]
bromine anion
CHEBI:15858
bromide
Beilstein:3587179
Beilstein
CAS:24959-67-9
ChemIDplus
CAS:24959-67-9
KEGG COMPOUND
CAS:24959-67-9
NIST Chemistry WebBook
Gmelin:14908
Gmelin
Bromide
KEGG_COMPOUND
bromide
IUPAC
bromide
UniProt
bromide(1-)
IUPAC
-1
ChEBI
78.918
KEGG_COMPOUND
79.90400
ChEBI
BROMIDE ION
PDBeChem
Br
KEGG_COMPOUND
Br(-)
IUPAC
Br-
KEGG_COMPOUND
CPELXLSAUQHCOX-UHFFFAOYSA-M
ChEBI
InChI=1S/BrH/h1H/p-1
ChEBI
[Br-]
ChEBI
bromine anion
NIST_Chemistry_WebBook
A fatty acid with a chain length ranging from C13 to C22.
CHEBI:13655
CHEBI:14529
CHEBI:25075
CHEBI:6528
KEGG:C00638
Long-chain fatty acid
chebi_ontology
0
44.998
CHO2R
Higher fatty acid
LCFA
LCFAs
OC([*])=O
long-chain fatty acids
CHEBI:15904
long-chain fatty acid
Long-chain fatty acid
KEGG_COMPOUND
0
ChEBI
44.998
ChEBI
CHO2R
ChEBI
Higher fatty acid
KEGG_COMPOUND
LCFA
ChEBI
LCFAs
ChEBI
OC([*])=O
ChEBI
long-chain fatty acids
ChEBI
An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins.
CHEBI:13905
CHEBI:22882
CHEBI:22884
CHEBI:3108
CHEBI:41236
Beilstein:86838
CAS:58-85-5
COMe:MOL000144
DrugBank:DB00121
Drug_Central:373
Gmelin:1918703
HMDB:HMDB00030
KEGG:C00120
KEGG:D00029
KNApSAcK:C00000756
LINCS:LSM-3994
MetaCyc:BIOTIN
PDBeChem:BTN
PMID:11435506
PMID:11800048
PMID:12055344
PMID:12803839
PMID:15012185
PMID:15202718
PMID:15272000
PMID:15899401
PMID:16419467
PMID:16676358
PMID:16677798
PMID:16769720
PMID:17297119
PMID:18452485
PMID:18509457
PMID:19319844
PMID:19727438
PMID:19928962
PMID:20967359
PMID:20974274
PMID:21248194
PMID:21356565
PMID:21373679
PMID:21596550
PMID:21871906
PMID:25515858
Reaxys:86838
Wikipedia:Biotin
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
BIOTIN
Biotin
chebi_ontology
(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid
(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
0
244.088
244.31172
5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
C10H16N2O3S
Coenzyme R
D-(+)-biotin
D-Biotin
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
Vitamin H
YBJHBAHKTGYVGT-ZKWXMUAHSA-N
[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
biotina
biotine
biotinum
cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid
cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid
cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
vitamin B7
CHEBI:15956
biotin
Beilstein:86838
Beilstein
CAS:58-85-5
ChemIDplus
CAS:58-85-5
KEGG COMPOUND
CAS:58-85-5
NIST Chemistry WebBook
Drug_Central:373
DrugCentral
Gmelin:1918703
Gmelin
PMID:11435506
Europe PMC
PMID:11800048
Europe PMC
PMID:12055344
Europe PMC
PMID:12803839
Europe PMC
PMID:15012185
Europe PMC
PMID:15202718
Europe PMC
PMID:15272000
Europe PMC
PMID:15899401
Europe PMC
PMID:16419467
Europe PMC
PMID:16676358
Europe PMC
PMID:16677798
Europe PMC
PMID:16769720
Europe PMC
PMID:17297119
Europe PMC
PMID:18452485
Europe PMC
PMID:18509457
Europe PMC
PMID:19319844
Europe PMC
PMID:19727438
Europe PMC
PMID:19928962
Europe PMC
PMID:20967359
Europe PMC
PMID:20974274
Europe PMC
PMID:21248194
Europe PMC
PMID:21356565
Europe PMC
PMID:21373679
Europe PMC
PMID:21596550
Europe PMC
PMID:21871906
Europe PMC
PMID:25515858
Europe PMC
Reaxys:86838
Reaxys
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
IUPAC
BIOTIN
PDBeChem
Biotin
KEGG_COMPOUND
(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid
HMDB
(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
HMDB
0
ChEBI
244.088
KEGG_COMPOUND
244.31172
ChEBI
5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
HMDB
C10H16N2O3S
KEGG_COMPOUND
Coenzyme R
KEGG_COMPOUND
D-(+)-biotin
NIST_Chemistry_WebBook
D-Biotin
KEGG_COMPOUND
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
ChEBI
Vitamin H
KEGG_COMPOUND
YBJHBAHKTGYVGT-ZKWXMUAHSA-N
ChEBI
[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
ChEBI
biotina
ChemIDplus
biotine
ChemIDplus
biotinum
ChemIDplus
cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid
HMDB
cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid
HMDB
cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
HMDB
vitamin B7
NIST_Chemistry_WebBook
Any mono-phosphorylated D-hexose having a chain of six carbon atoms in the molecule.
CHEBI:12992
CHEBI:4196
KEGG:C02672
D-Hexose phosphate
D-hexose phosphate
chebi_ontology
CHEBI:15965
D-hexose phosphate
D-Hexose phosphate
KEGG_COMPOUND
D-hexose phosphate
UniProt
An sn-glycerol 3-phosphate having unsubstituted hydroxy groups.
CHEBI:10648
CHEBI:12843
CHEBI:12848
CHEBI:26705
CHEBI:42793
Beilstein:1723975
CAS:17989-41-2
KEGG:C00093
KNApSAcK:C00007288
MetaCyc:GLYCEROL-3P
PDBeChem:G3P
PDBeChem:GP9
PMID:16745347
PMID:1694860
PMID:19049970
Reaxys:1723975
(2R)-2,3-dihydroxypropyl dihydrogen phosphate
sn-Glycerol 3-phosphate
sn-glycerol 3-(dihydrogen phosphate)
chebi_ontology
(R)-glycerol 1-phosphate
0
172.014
172.07372
AWUCVROLDVIAJX-GSVOUGTGSA-N
C3H9O6P
D-(glycerol 1-phosphate)
D-Glycerol 1-phosphate
Glycerol-3-phosphate
Glycerophosphoric acid
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
L-(glycerol 3-phosphate)
OC[C@@H](O)COP(O)(O)=O
Phosphorsaeure-mono-((R)-2,3-dihydroxy-propylester)
SN-GLYCEROL-3-PHOSPHATE
phosphoric acid mono-((R)-2,3-dihydroxy-propyl) ester
sn-Gro-1-P
CHEBI:15978
sn-glycerol 3-phosphate
Beilstein:1723975
Beilstein
CAS:17989-41-2
KEGG COMPOUND
PMID:16745347
Europe PMC
PMID:1694860
Europe PMC
PMID:19049970
Europe PMC
Reaxys:1723975
Reaxys
(2R)-2,3-dihydroxypropyl dihydrogen phosphate
IUPAC
sn-Glycerol 3-phosphate
KEGG_COMPOUND
sn-glycerol 3-(dihydrogen phosphate)
IUPAC
(R)-glycerol 1-phosphate
ChEBI
0
ChEBI
172.014
KEGG_COMPOUND
172.07372
ChEBI
AWUCVROLDVIAJX-GSVOUGTGSA-N
ChEBI
C3H9O6P
KEGG_COMPOUND
D-(glycerol 1-phosphate)
CBN
D-Glycerol 1-phosphate
KEGG_COMPOUND
Glycerol-3-phosphate
KEGG_COMPOUND
Glycerophosphoric acid
KEGG_COMPOUND
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
ChEBI
L-(glycerol 3-phosphate)
CBN
OC[C@@H](O)COP(O)(O)=O
ChEBI
Phosphorsaeure-mono-((R)-2,3-dihydroxy-propylester)
ChEBI
SN-GLYCEROL-3-PHOSPHATE
PDBeChem
phosphoric acid mono-((R)-2,3-dihydroxy-propyl) ester
ChEBI
sn-Gro-1-P
KEGG_COMPOUND
An N-acyl-D-glucosamine phosphate having the phosphate group placed at the 6-position.
CHEBI:12477
CHEBI:21636
CHEBI:7227
KEGG:C04136
N-Acyl-D-glucosamine 6-phosphate
chebi_ontology
0
286.033
286.15320
C7H13NO9PR
N-acyl-D-glucosamine 6-phosphates
O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1NC([*])=O
CHEBI:15993
N-acyl-D-glucosamine 6-phosphate
N-Acyl-D-glucosamine 6-phosphate
KEGG_COMPOUND
0
ChEBI
286.033
ChEBI
286.15320
ChEBI
C7H13NO9PR
ChEBI
N-acyl-D-glucosamine 6-phosphates
ChEBI
O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1NC([*])=O
ChEBI
CHEBI:13342
CHEBI:24451
CHEBI:42934
CHEBI:5234
Beilstein:1201437
Beilstein:74004
CAS:86-01-1
DrugBank:DB04137
KEGG:C00044
KNApSAcK:C00007223
PDBeChem:GTP
GTP
guanosine 5'-(tetrahydrogen triphosphate)
chebi_ontology
0
5'-GTP
522.991
523.18062
C10H16N5O14P3
GUANOSINE-5'-TRIPHOSPHATE
Guanosine 5'-triphosphate
H4gtp
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
XKMLYUALXHKNFT-UUOKFMHZSA-N
guanosine 5'-triphosphoric acid
guanosine triphosphate
CHEBI:15996
GTP
Beilstein:1201437
ChemIDplus
Beilstein:74004
Beilstein
CAS:86-01-1
ChemIDplus
CAS:86-01-1
KEGG COMPOUND
GTP
KEGG_COMPOUND
guanosine 5'-(tetrahydrogen triphosphate)
IUPAC
0
ChEBI
5'-GTP
ChemIDplus
522.991
KEGG_COMPOUND
523.18062
ChEBI
C10H16N5O14P3
KEGG_COMPOUND
GUANOSINE-5'-TRIPHOSPHATE
PDBeChem
Guanosine 5'-triphosphate
KEGG_COMPOUND
H4gtp
ChEBI
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
ChEBI
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI
XKMLYUALXHKNFT-UUOKFMHZSA-N
ChEBI
guanosine 5'-triphosphoric acid
ChemIDplus
guanosine triphosphate
ChemIDplus
The D-enantiomer of glucaric acid.
CHEBI:20982
CHEBI:4155
Beilstein:1728113
CAS:87-73-0
Gmelin:604332
HMDB:HMDB29881
KEGG:C00818
MetaCyc:D-GLUCARATE
PMID:18384797
PMID:21269605
PMID:24333274
Reaxys:1728113
Wikipedia:Saccharic_acid
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
D-Glucaric acid
D-glucaric acid
chebi_ontology
0
210.038
210.13880
C6H10O8
D-(+)-saccharic acid
D-Glucosaccharic acid
D-Saccharic acid
DSLZVSRJTYRBFB-LLEIAEIESA-N
Glucaric acid
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
L-Gularic acid
O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O
saccharic acid
CHEBI:16002
D-glucaric acid
Beilstein:1728113
Beilstein
CAS:87-73-0
ChemIDplus
CAS:87-73-0
KEGG COMPOUND
CAS:87-73-0
NIST Chemistry WebBook
Gmelin:604332
Gmelin
PMID:18384797
Europe PMC
PMID:21269605
Europe PMC
PMID:24333274
Europe PMC
Reaxys:1728113
Reaxys
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
IUPAC
D-Glucaric acid
KEGG_COMPOUND
D-glucaric acid
ChEBI
D-glucaric acid
IUPAC
0
ChEBI
210.038
KEGG_COMPOUND
210.13880
ChEBI
C6H10O8
KEGG_COMPOUND
D-(+)-saccharic acid
HMDB
D-Glucosaccharic acid
KEGG_COMPOUND
D-Saccharic acid
KEGG_COMPOUND
DSLZVSRJTYRBFB-LLEIAEIESA-N
ChEBI
Glucaric acid
KEGG_COMPOUND
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
ChEBI
L-Gularic acid
KEGG_COMPOUND
O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O
ChEBI
saccharic acid
NIST_Chemistry_WebBook
An optically active form of lactate having (R)-configuration.
CHEBI:11001
CHEBI:18684
Beilstein:4655978
Gmelin:362716
KEGG:C00256
MetaCyc:D-LACTATE
Reaxys:4655978
(2R)-2-hydroxypropanoate
(R)-lactate
chebi_ontology
-1
89.024
89.07000
C3H5O3
C[C@@H](O)C([O-])=O
D-2-hydroxypropanoate
D-2-hydroxypropionate
D-lactate
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1
JVTAAEKCZFNVCJ-UWTATZPHSA-M
CHEBI:16004
(R)-lactate
Beilstein:4655978
Beilstein
Gmelin:362716
Gmelin
KEGG:C00256
ChEBI
Reaxys:4655978
Reaxys
(2R)-2-hydroxypropanoate
IUPAC
(R)-lactate
UniProt
-1
ChEBI
89.024
ChEBI
89.07000
ChEBI
C3H5O3
ChEBI
C[C@@H](O)C([O-])=O
ChEBI
D-2-hydroxypropanoate
ChEBI
D-2-hydroxypropionate
ChEBI
D-lactate
ChEBI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1
ChEBI
JVTAAEKCZFNVCJ-UWTATZPHSA-M
ChEBI
A ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones.
CHEBI:14340
CHEBI:24354
CHEBI:39809
CHEBI:5453
Beilstein:1740268
CAS:96-26-4
DrugBank:DB01775
HMDB:HMDB01882
KEGG:C00184
KEGG:D07841
MetaCyc:DIHYDROXYACETONE
PDBeChem:2HA
PMID:20936361
PMID:21549029
PMID:21598406
PMID:23543734
PMID:23554234
PMID:23748086
PMID:24209782
Reaxys:1740268
Wikipedia:Dihydroxyacetone
1,3-dihydroxypropan-2-one
DIHYDROXYACETONE
Dihydroxyacetone
dihydroxyacetone
chebi_ontology
0
1,3-Dihydroxy-2-propanone
1,3-Dihydroxyacetone
1,3-Dihydroxydimethyl ketone
1,3-Dihydroxypropan-2-one
1,3-Dihydroxypropanone
1,3-propanediol-2-one
90.032
90.078
Bis(hydroxymethyl) ketone
C(CO)(CO)=O
C3H6O3
DHA
Glycerone
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
RXKJFZQQPQGTFL-UHFFFAOYSA-N
alpha,alpha'-dihydroxyacetone
CHEBI:16016
dihydroxyacetone
Beilstein:1740268
Beilstein
CAS:96-26-4
ChemIDplus
CAS:96-26-4
KEGG COMPOUND
CAS:96-26-4
NIST Chemistry WebBook
PMID:20936361
Europe PMC
PMID:21549029
Europe PMC
PMID:21598406
Europe PMC
PMID:23543734
Europe PMC
PMID:23554234
Europe PMC
PMID:23748086
Europe PMC
PMID:24209782
Europe PMC
Reaxys:1740268
Reaxys
1,3-dihydroxypropan-2-one
IUPAC
DIHYDROXYACETONE
PDBeChem
Dihydroxyacetone
KEGG_COMPOUND
dihydroxyacetone
UniProt
0
ChEBI
1,3-Dihydroxy-2-propanone
KEGG_COMPOUND
1,3-Dihydroxyacetone
KEGG_COMPOUND
1,3-Dihydroxydimethyl ketone
ChemIDplus
1,3-Dihydroxypropan-2-one
KEGG_COMPOUND
1,3-Dihydroxypropanone
ChemIDplus
1,3-propanediol-2-one
ChEBI
90.032
ChEBI
90.078
ChEBI
Bis(hydroxymethyl) ketone
HMDB
C(CO)(CO)=O
ChEBI
C3H6O3
ChEBI
DHA
ChEBI
Glycerone
KEGG_COMPOUND
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
ChEBI
RXKJFZQQPQGTFL-UHFFFAOYSA-N
ChEBI
alpha,alpha'-dihydroxyacetone
HMDB
A purine ribonucleoside 5'-monophosphate having adenine as the nucleobase.
CHEBI:12056
CHEBI:13234
CHEBI:13235
CHEBI:13736
CHEBI:13740
CHEBI:22242
CHEBI:22245
CHEBI:2356
CHEBI:40510
CHEBI:40726
CHEBI:40786
CHEBI:40826
CHEBI:47222
Beilstein:54612
CAS:61-19-8
COMe:MOL000174
DrugBank:DB00131
Drug_Central:92
Gmelin:38561
HMDB:HMDB00045
KEGG:C00020
KEGG:D02769
KNApSAcK:C00019347
LINCS:LSM-5914
MetaCyc:AMP
PDBeChem:AMP
PMID:11307758
PMID:12020809
PMID:12181610
PMID:15148540
PMID:15946677
PMID:16091942
PMID:16250233
PMID:16295522
PMID:17439666
PMID:22215671
PMID:22624049
PMID:2559771
Reaxys:54612
Wikipedia:Adenylic_acid
5'-adenylic acid
AMP
chebi_ontology
0
347.063
347.22120
5'-AMP
5'-Adenosine monophosphate
5'-Adenylic acid
5'-O-phosphonoadenosine
ADENOSINE MONOPHOSPHATE
Adenosine 5'-monophosphate
Adenosine 5'-phosphate
Adenosine-5'-monophosphoric acid
Adenylate
Adenylic acid
Ado5'P
C10H14N5O7P
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
PAdo
UDMBCSSLTHHNCD-KQYNXXCUSA-N
adenosine 5'-(dihydrogen phosphate)
adenosine phosphate
adenosine-5'P
adenosini phosphas
fosfato de adenosina
pA
phosphate d'adenosine
CHEBI:16027
AMP
Beilstein:54612
Beilstein
CAS:61-19-8
ChemIDplus
CAS:61-19-8
KEGG COMPOUND
Drug_Central:92
DrugCentral
Gmelin:38561
Gmelin
PMID:11307758
Europe PMC
PMID:12020809
Europe PMC
PMID:12181610
Europe PMC
PMID:15148540
Europe PMC
PMID:15946677
Europe PMC
PMID:16091942
Europe PMC
PMID:16250233
Europe PMC
PMID:16295522
Europe PMC
PMID:17439666
Europe PMC
PMID:22215671
Europe PMC
PMID:22624049
Europe PMC
PMID:2559771
Europe PMC
Reaxys:54612
Reaxys
5'-adenylic acid
IUPAC
AMP
KEGG_COMPOUND
0
ChEBI
347.063
KEGG_COMPOUND
347.22120
ChEBI
5'-AMP
KEGG_COMPOUND
5'-Adenosine monophosphate
KEGG_COMPOUND
5'-Adenylic acid
KEGG_COMPOUND
5'-O-phosphonoadenosine
CBN
ADENOSINE MONOPHOSPHATE
PDBeChem
Adenosine 5'-monophosphate
KEGG_COMPOUND
Adenosine 5'-phosphate
KEGG_COMPOUND
Adenosine-5'-monophosphoric acid
HMDB
Adenylate
KEGG_COMPOUND
Adenylic acid
KEGG_COMPOUND
Ado5'P
CBN
C10H14N5O7P
KEGG_COMPOUND
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
ChEBI
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI
PAdo
CBN
UDMBCSSLTHHNCD-KQYNXXCUSA-N
ChEBI
adenosine 5'-(dihydrogen phosphate)
CBN
adenosine phosphate
ChemIDplus
adenosine phosphate
WHO_MedNet
adenosine-5'P
CBN
adenosini phosphas
WHO_MedNet
fosfato de adenosina
WHO_MedNet
pA
ChEBI
phosphate d'adenosine
WHO_MedNet
An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4.
CHEBI:14066
CHEBI:23531
CHEBI:4072
CHEBI:41732
Beilstein:2637
CAS:71-30-7
Gmelin:82472
HMDB:HMDB00630
KEGG:C00380
KNApSAcK:C00001498
MetaCyc:CYTOSINE
PDBeChem:CYT
PMID:14253484
PMID:22770225
PMID:7877593
Reaxys:2637
Wikipedia:Cytosine
4-aminopyrimidin-2(1H)-one
Cytosine
cytosine
chebi_ontology
0
111.043
111.10212
4-amino-2(1H)-pyrimidinone
4-amino-2-hydroxypyrimidine
C
C4H5N3O
Cyt
Cytosin
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
Nc1cc[nH]c(=O)n1
OPTASPLRGRRNAP-UHFFFAOYSA-N
Zytosin
CHEBI:16040
cytosine
Beilstein:2637
Beilstein
CAS:71-30-7
ChemIDplus
CAS:71-30-7
KEGG COMPOUND
CAS:71-30-7
NIST Chemistry WebBook
Gmelin:82472
Gmelin
PMID:14253484
Europe PMC
PMID:22770225
Europe PMC
PMID:7877593
Europe PMC
Reaxys:2637
Reaxys
4-aminopyrimidin-2(1H)-one
IUPAC
Cytosine
KEGG_COMPOUND
cytosine
UniProt
0
ChEBI
111.043
KEGG_COMPOUND
111.10212
ChEBI
4-amino-2(1H)-pyrimidinone
NIST_Chemistry_WebBook
4-amino-2-hydroxypyrimidine
NIST_Chemistry_WebBook
C
ChEBI
C4H5N3O
KEGG_COMPOUND
Cyt
CBN
Cytosin
ChEBI
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
ChEBI
Nc1cc[nH]c(=O)n1
ChEBI
OPTASPLRGRRNAP-UHFFFAOYSA-N
ChEBI
Zytosin
ChEBI
A monoatomic monoanion resulting from the addition of an electron to any halogen atom.
CHEBI:14384
CHEBI:5605
KEGG:C00462
halide ions
chebi_ontology
-1
0.0
HX
Halide
X
[*-]
a halide anion
halide anions
halide(1-)
halides
halogen anion
CHEBI:16042
halide anion
halide ions
IUPAC
-1
ChEBI
0.0
ChEBI
0.0
ChEBI
HX
KEGG_COMPOUND
Halide
KEGG_COMPOUND
X
KEGG_COMPOUND
[*-]
ChEBI
a halide anion
UniProt
halide anions
ChEBI
halide(1-)
ChEBI
halides
ChEBI
halogen anion
ChEBI
CHEBI:12479
CHEBI:12583
CHEBI:21641
CHEBI:57625
CHEBI:7229
KEGG:C00625
N-Acyl-D-mannosamine
chebi_ontology
0
206.066
206.17330
C7H12NO6R
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](NC([*])=O)C=O
an N-acyl-D-mannosamine
CHEBI:16062
N-acyl-D-mannosamine
N-Acyl-D-mannosamine
KEGG_COMPOUND
0
ChEBI
206.066
ChEBI
206.17330
ChEBI
C7H12NO6R
ChEBI
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](NC([*])=O)C=O
ChEBI
an N-acyl-D-mannosamine
UniProt
A cyclic dicarboximide in which the two carboacyl groups on nitrogen together with the nitogen itself form a 1H-pyrrole-2,5-dione structure.
CHEBI:14560
CHEBI:6654
CAS:541-59-3
KEGG:C07272
MetaCyc:MALEIMIDE
PMID:11961142
Reaxys:106910
Wikipedia:Maleimide
1H-pyrrole-2,5-dione
Maleimide
chebi_ontology
0
2,5-Pyrroledione
97.016
97.07210
C4H3NO2
InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
Maleic imide
O=C1NC(=O)C=C1
PEEHTFAAVSWFBL-UHFFFAOYSA-N
CHEBI:16072
maleimide
CAS:541-59-3
ChemIDplus
CAS:541-59-3
KEGG COMPOUND
CAS:541-59-3
NIST Chemistry WebBook
PMID:11961142
Europe PMC
Reaxys:106910
Reaxys
1H-pyrrole-2,5-dione
IUPAC
Maleimide
KEGG_COMPOUND
0
ChEBI
2,5-Pyrroledione
KEGG_COMPOUND
97.016
ChEBI
97.07210
ChEBI
C4H3NO2
ChEBI
InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
ChEBI
Maleic imide
ChemIDplus
O=C1NC(=O)C=C1
ChEBI
PEEHTFAAVSWFBL-UHFFFAOYSA-N
ChEBI
A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent.
CHEBI:1780
CHEBI:20311
Beilstein:1721708
Beilstein:1752568
CAS:352-21-6
Drug_Central:1263
KEGG:C03678
KEGG:D00174
4-amino-3-hydroxybutanoic acid
gamma-Amino-beta-hydroxybutyric acid
gamma-amino-beta-hydroxybutyric acid
chebi_ontology
0
119.058
119.11920
3-hydroxy-GABA
4-Amino-3-hydroxybutanoic acid
4-amino-3-hydroxybutyric acid
C4H9NO3
GABOB
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
NCC(O)CC(O)=O
YQGDEPYYFWUPGO-UHFFFAOYSA-N
CHEBI:16080
gamma-amino-beta-hydroxybutyric acid
Beilstein:1721708
Beilstein
Beilstein:1752568
Beilstein
CAS:352-21-6
ChemIDplus
CAS:352-21-6
KEGG COMPOUND
Drug_Central:1263
DrugCentral
4-amino-3-hydroxybutanoic acid
IUPAC
gamma-Amino-beta-hydroxybutyric acid
KEGG_COMPOUND
gamma-amino-beta-hydroxybutyric acid
UniProt
0
ChEBI
119.058
KEGG_COMPOUND
119.11920
ChEBI
3-hydroxy-GABA
ChemIDplus
4-Amino-3-hydroxybutanoic acid
KEGG_COMPOUND
4-amino-3-hydroxybutyric acid
ChemIDplus
C4H9NO3
KEGG_COMPOUND
GABOB
KEGG_COMPOUND
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
ChEBI
NCC(O)CC(O)=O
ChEBI
YQGDEPYYFWUPGO-UHFFFAOYSA-N
ChEBI
A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.
CHEBI:15242
CHEBI:45922
CHEBI:9569
CAS:14383-50-7
Gmelin:2031
PDBeChem:THJ
sulfurothioate
thiosulfate
trioxidosulfidosulfate(2-)
chebi_ontology
-2
111.929
112.13020
DHCDFWKWKRSZHF-UHFFFAOYSA-L
Hyposulfite
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
O3S2
S2O3
S2O3(2-)
TETRATHIONATE
Thiosulfate
[O-]S([S-])(=O)=O
[SO3S](2-)
thiosulfate ion(2-)
thiosulphate
trioxido-1kappa(3)O-disulfate(S--S)(2-)
CHEBI:16094
thiosulfate(2-)
CAS:14383-50-7
ChemIDplus
Gmelin:2031
Gmelin
sulfurothioate
IUPAC
thiosulfate
IUPAC
trioxidosulfidosulfate(2-)
IUPAC
-2
ChEBI
111.929
ChEBI
112.13020
ChEBI
DHCDFWKWKRSZHF-UHFFFAOYSA-L
ChEBI
Hyposulfite
KEGG_COMPOUND
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
ChEBI
O3S2
ChEBI
S2O3
ChEBI
S2O3(2-)
IUPAC
TETRATHIONATE
PDBeChem
Thiosulfate
KEGG_COMPOUND
[O-]S([S-])(=O)=O
ChEBI
[SO3S](2-)
IUPAC
thiosulfate ion(2-)
ChemIDplus
thiosulphate
ChemIDplus
trioxido-1kappa(3)O-disulfate(S--S)(2-)
IUPAC
An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
CHEBI:13405
CHEBI:13406
CHEBI:13407
CHEBI:13771
CHEBI:22533
CHEBI:44269
CHEBI:44284
CHEBI:44404
CHEBI:7434
Beilstein:3587154
CAS:7664-41-7
Drug_Central:4625
Gmelin:79
HMDB:HMDB00051
KEGG:C00014
KEGG:D02916
KNApSAcK:C00007267
MetaCyc:AMMONIA
MolBase:930
PDBeChem:NH3
PMID:110589
PMID:11139349
PMID:11540049
PMID:11746427
PMID:11783653
PMID:13753780
PMID:14663195
PMID:15092448
PMID:15094021
PMID:15554424
PMID:15969015
PMID:16008360
PMID:16050680
PMID:16348008
PMID:16349403
PMID:16614889
PMID:16664306
PMID:16842901
PMID:17025297
PMID:17439666
PMID:17569513
PMID:17737668
PMID:18670398
PMID:22002069
PMID:22081570
PMID:22088435
PMID:22100291
PMID:22130175
PMID:22150211
PMID:22240068
PMID:22290316
PMID:22342082
PMID:22385337
PMID:22443779
PMID:22560242
Reaxys:3587154
Wikipedia:Ammonia
AMMONIA
Ammonia
ammonia
azane
chebi_ontology
0
17.027
17.03056
Ammoniak
H3N
InChI=1S/H3N/h1H3
NH3
QGZKDVFQNNGYKY-UHFFFAOYSA-N
R-717
[H]N([H])[H]
[NH3]
ammoniac
amoniaco
spirit of hartshorn
CHEBI:16134
ammonia
Beilstein:3587154
Beilstein
CAS:7664-41-7
ChemIDplus
CAS:7664-41-7
KEGG COMPOUND
CAS:7664-41-7
NIST Chemistry WebBook
Drug_Central:4625
DrugCentral
Gmelin:79
Gmelin
PMID:110589
Europe PMC
PMID:11139349
Europe PMC
PMID:11540049
Europe PMC
PMID:11746427
Europe PMC
PMID:11783653
Europe PMC
PMID:13753780
Europe PMC
PMID:14663195
Europe PMC
PMID:15092448
Europe PMC
PMID:15094021
Europe PMC
PMID:15554424
Europe PMC
PMID:15969015
Europe PMC
PMID:16008360
Europe PMC
PMID:16050680
Europe PMC
PMID:16348008
Europe PMC
PMID:16349403
Europe PMC
PMID:16614889
Europe PMC
PMID:16664306
Europe PMC
PMID:16842901
Europe PMC
PMID:17025297
Europe PMC
PMID:17439666
Europe PMC
PMID:17569513
Europe PMC
PMID:17737668
Europe PMC
PMID:18670398
Europe PMC
PMID:22002069
Europe PMC
PMID:22081570
Europe PMC
PMID:22088435
Europe PMC
PMID:22100291
Europe PMC
PMID:22130175
Europe PMC
PMID:22150211
Europe PMC
PMID:22240068
Europe PMC
PMID:22290316
Europe PMC
PMID:22342082
Europe PMC
PMID:22385337
Europe PMC
PMID:22443779
Europe PMC
PMID:22560242
Europe PMC
Reaxys:3587154
Reaxys
AMMONIA
PDBeChem
Ammonia
KEGG_COMPOUND
ammonia
IUPAC
azane
IUPAC
0
ChEBI
17.027
KEGG_COMPOUND
17.03056
ChEBI
Ammoniak
ChemIDplus
H3N
KEGG_COMPOUND
InChI=1S/H3N/h1H3
ChEBI
NH3
IUPAC
NH3
KEGG_COMPOUND
NH3
UniProt
QGZKDVFQNNGYKY-UHFFFAOYSA-N
ChEBI
R-717
ChEBI
[H]N([H])[H]
ChEBI
[NH3]
MolBase
ammoniac
ChEBI
amoniaco
ChEBI
spirit of hartshorn
ChemIDplus
A sulfur hydride consisting of s single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.
CHEBI:13356
CHEBI:14414
CHEBI:24639
CHEBI:43058
CHEBI:45489
CHEBI:5787
Beilstein:3535004
CAS:7783-06-4
Drug_Central:4260
Gmelin:303
KEGG:C00283
KNApSAcK:C00007266
MolBase:1709
PDBeChem:H2S
PMID:11788560
PMID:14654297
PMID:15003943
PMID:15607739
PMID:16446402
PMID:18098324
PMID:18524810
PMID:18948540
PMID:19695225
PMID:22004989
PMID:22378060
PMID:22448627
PMID:22473176
PMID:22486842
PMID:22520971
PMID:22787557
UM-BBD_compID:c0239
Wikipedia:Hydrogen_sulfide
Hydrogen sulfide
dihydridosulfur
dihydrogen(sulfide)
hydrogen sulfide
sulfane
chebi_ontology
0
33.988
34.08188
H2S
HYDROSULFURIC ACID
Hydrogen-sulfide
InChI=1S/H2S/h1H2
RWSOTUBLDIXVET-UHFFFAOYSA-N
Schwefelwasserstoff
Sulfide
[H]S[H]
[SH2]
acide sulfhydrique
dihydrogen monosulfide
dihydrogen sulfide
hydrogen monosulfide
hydrogen sulphide
hydrogene sulfure
sulfure d'hydrogene
CHEBI:16136
hydrogen sulfide
Beilstein:3535004
Beilstein
CAS:7783-06-4
ChemIDplus
CAS:7783-06-4
KEGG COMPOUND
CAS:7783-06-4
NIST Chemistry WebBook
Drug_Central:4260
DrugCentral
Gmelin:303
Gmelin
PMID:11788560
Europe PMC
PMID:14654297
Europe PMC
PMID:15003943
Europe PMC
PMID:15607739
Europe PMC
PMID:16446402
Europe PMC
PMID:18098324
Europe PMC
PMID:18524810
Europe PMC
PMID:18948540
Europe PMC
PMID:19695225
Europe PMC
PMID:22004989
Europe PMC
PMID:22378060
Europe PMC
PMID:22448627
Europe PMC
PMID:22473176
Europe PMC
PMID:22486842
Europe PMC
PMID:22520971
Europe PMC
PMID:22787557
Europe PMC
UM-BBD_compID:c0239
ChEBI
Hydrogen sulfide
KEGG_COMPOUND
dihydridosulfur
IUPAC
dihydrogen(sulfide)
IUPAC
hydrogen sulfide
IUPAC
sulfane
IUPAC
0
ChEBI
33.988
KEGG_COMPOUND
34.08188
ChEBI
H2S
IUPAC
H2S
KEGG_COMPOUND
H2S
KEGG_COMPOUND
HYDROSULFURIC ACID
PDBeChem
Hydrogen-sulfide
KEGG_COMPOUND
InChI=1S/H2S/h1H2
ChEBI
RWSOTUBLDIXVET-UHFFFAOYSA-N
ChEBI
Schwefelwasserstoff
ChemIDplus
Sulfide
KEGG_COMPOUND
[H]S[H]
ChEBI
[SH2]
MolBase
acide sulfhydrique
ChemIDplus
dihydrogen monosulfide
NIST_Chemistry_WebBook
dihydrogen sulfide
NIST_Chemistry_WebBook
hydrogen monosulfide
NIST_Chemistry_WebBook
hydrogen sulphide
ChemIDplus
hydrogene sulfure
ChemIDplus
sulfure d'hydrogene
ChEBI
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.
CHEBI:13879
CHEBI:22717
Beilstein:1862486
CAS:766-76-7
Gmelin:2945
HMDB:HMDB01870
KEGG:C00180
MetaCyc:BENZOATE
Reaxys:1862486
UM-BBD_compID:c0121
benzoate
chebi_ontology
-1
121.029
121.11340
Benzenecarboxylate
Benzeneformate
Benzenemethanoate
C7H5O2
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
Phenylcarboxylate
Phenylformate
WPYMKLBDIGXBTP-UHFFFAOYSA-M
[O-]C(=O)c1ccccc1
benzoate anion
benzoic acid, ion(1-)
CHEBI:16150
benzoate
Beilstein:1862486
Beilstein
CAS:766-76-7
ChemIDplus
CAS:766-76-7
NIST Chemistry WebBook
Gmelin:2945
Gmelin
KEGG:C00180
ChEBI
Reaxys:1862486
Reaxys
UM-BBD_compID:c0121
ChEBI
benzoate
IUPAC
benzoate
UniProt
-1
ChEBI
121.029
ChEBI
121.11340
ChEBI
Benzenecarboxylate
HMDB
Benzeneformate
HMDB
Benzenemethanoate
HMDB
C7H5O2
ChEBI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
ChEBI
Phenylcarboxylate
HMDB
Phenylformate
HMDB
WPYMKLBDIGXBTP-UHFFFAOYSA-M
ChEBI
[O-]C(=O)c1ccccc1
ChEBI
benzoate anion
NIST_Chemistry_WebBook
benzoic acid, ion(1-)
ChemIDplus
An N-acyl-amino acid in which amino acid specified is glycine.
CHEBI:12484
CHEBI:21660
CHEBI:7238
KEGG:C02055
MetaCyc:CPD-426
N-Acylglycine
chebi_ontology
0
102.019
102.06880
C3H4NO3R
OC(=O)CNC([*])=O
CHEBI:16180
N-acylglycine
N-Acylglycine
KEGG_COMPOUND
0
ChEBI
102.019
ChEBI
102.06880
ChEBI
C3H4NO3R
ChEBI
OC(=O)CNC([*])=O
ChEBI
A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).
CHEBI:14585
CHEBI:25220
CHEBI:6811
Beilstein:1718732
CAS:74-82-8
Gmelin:59
HMDB:HMDB02714
KEGG:C01438
MetaCyc:CH4
PDBeChem:CH3
PMID:17791569
PMID:23104415
PMID:23353606
PMID:23376302
PMID:23397538
PMID:23718889
PMID:23739479
PMID:23742231
PMID:23756351
PMID:24132456
PMID:24161402
PMID:24259373
Patent:FR994032
Patent:US2583090
Reaxys:1718732
UM-BBD_compID:c0095
Wikipedia:Methane
Methane
methane
tetrahydridocarbon
chebi_ontology
0
16.031
16.04246
CH4
InChI=1S/CH4/h1H4
Methan
VNWKTOKETHGBQD-UHFFFAOYSA-N
[H]C([H])([H])[H]
marsh gas
metano
methyl hydride
CHEBI:16183
methane
Beilstein:1718732
ChemIDplus
CAS:74-82-8
ChemIDplus
CAS:74-82-8
KEGG COMPOUND
CAS:74-82-8
NIST Chemistry WebBook
Gmelin:59
Gmelin
PMID:17791569
Europe PMC
PMID:23104415
Europe PMC
PMID:23353606
Europe PMC
PMID:23376302
Europe PMC
PMID:23397538
Europe PMC
PMID:23718889
Europe PMC
PMID:23739479
Europe PMC
PMID:23742231
Europe PMC
PMID:23756351
Europe PMC
PMID:24132456
Europe PMC
PMID:24161402
Europe PMC
PMID:24259373
Europe PMC
Reaxys:1718732
Reaxys
UM-BBD_compID:c0095
UM-BBD
Methane
KEGG_COMPOUND
methane
ChEBI
methane
IUPAC
methane
UniProt
tetrahydridocarbon
IUPAC
0
ChEBI
16.031
KEGG_COMPOUND
16.04246
ChEBI
CH4
IUPAC
CH4
KEGG_COMPOUND
InChI=1S/CH4/h1H4
ChEBI
Methan
ChEBI
VNWKTOKETHGBQD-UHFFFAOYSA-N
ChEBI
[H]C([H])([H])[H]
ChEBI
marsh gas
NIST_Chemistry_WebBook
metano
ChEBI
methyl hydride
ChemIDplus
A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.
CHEBI:15135
CHEBI:45687
CHEBI:9335
Beilstein:3648446
CAS:14808-79-8
Gmelin:2120
HMDB:HMDB01448
KEGG:C00059
KEGG:D05963
MetaCyc:SULFATE
PDBeChem:SO4
PMID:11200094
PMID:11452993
PMID:11581495
PMID:11798107
PMID:12166931
PMID:12668033
PMID:14597181
PMID:15093386
PMID:15984785
PMID:16186560
PMID:16345535
PMID:16347366
PMID:16348007
PMID:16483812
PMID:16534979
PMID:16656509
PMID:16742508
PMID:16742518
PMID:17120760
PMID:17420092
PMID:17439666
PMID:17709180
PMID:18398178
PMID:18815700
PMID:18846414
PMID:19047345
PMID:19244483
PMID:19544990
PMID:19628332
PMID:19812358
Reaxys:3648446
Wikipedia:Sulfate
Sulfate
sulfate
tetraoxidosulfate(2-)
tetraoxosulfate(2-)
tetraoxosulfate(VI)
chebi_ontology
-2
95.952
96.06360
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
O4S
QAOWNCQODCNURD-UHFFFAOYSA-L
SO4(2-)
SULFATE ION
Sulfate anion(2-)
Sulfate dianion
Sulfate(2-)
Sulfuric acid ion(2-)
[O-]S([O-])(=O)=O
[SO4](2-)
sulphate
sulphate ion
CHEBI:16189
sulfate
Beilstein:3648446
Beilstein
CAS:14808-79-8
ChemIDplus
CAS:14808-79-8
NIST Chemistry WebBook
Gmelin:2120
Gmelin
PMID:11200094
Europe PMC
PMID:11452993
Europe PMC
PMID:11581495
Europe PMC
PMID:11798107
Europe PMC
PMID:12166931
Europe PMC
PMID:12668033
Europe PMC
PMID:14597181
Europe PMC
PMID:15093386
Europe PMC
PMID:15984785
Europe PMC
PMID:16186560
Europe PMC
PMID:16345535
Europe PMC
PMID:16347366
Europe PMC
PMID:16348007
Europe PMC
PMID:16483812
Europe PMC
PMID:16534979
Europe PMC
PMID:16656509
Europe PMC
PMID:16742508
Europe PMC
PMID:16742518
Europe PMC
PMID:17120760
Europe PMC
PMID:17420092
Europe PMC
PMID:17439666
Europe PMC
PMID:17709180
Europe PMC
PMID:18398178
Europe PMC
PMID:18815700
Europe PMC
PMID:18846414
Europe PMC
PMID:19047345
Europe PMC
PMID:19244483
Europe PMC
PMID:19544990
Europe PMC
PMID:19628332
Europe PMC
PMID:19812358
Europe PMC
Reaxys:3648446
Reaxys
Sulfate
KEGG_COMPOUND
sulfate
IUPAC
sulfate
UniProt
tetraoxidosulfate(2-)
IUPAC
tetraoxosulfate(2-)
IUPAC
tetraoxosulfate(VI)
IUPAC
-2
ChEBI
95.952
ChEBI
96.06360
ChEBI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
ChEBI
O4S
ChEBI
QAOWNCQODCNURD-UHFFFAOYSA-L
ChEBI
SO4(2-)
IUPAC
SULFATE ION
PDBeChem
Sulfate anion(2-)
HMDB
Sulfate dianion
HMDB
Sulfate(2-)
HMDB
Sulfuric acid ion(2-)
HMDB
[O-]S([O-])(=O)=O
ChEBI
[SO4](2-)
IUPAC
sulphate
ChEBI
sulphate ion
ChEBI
A carbonyl group with two C-bound amine groups.
CHEBI:15292
CHEBI:27218
CHEBI:46379
CHEBI:9888
Beilstein:635724
CAS:57-13-6
DrugBank:DB03904
Drug_Central:4264
ECMDB:ECMDB04172
Gmelin:1378
HMDB:HMDB00294
KEGG:C00086
KEGG:D00023
KNApSAcK:C00007314
MetaCyc:UREA
PDBeChem:URE
PMID:18037357
PMID:22770225
Reaxys:635724
UM-BBD_compID:c0165
Wikipedia:Urea
YMDB:YMDB00003
UREA
Urea
urea
chebi_ontology
0
60.032
60.05534
CH4N2O
Carbamide
E927b
H2NC(O)NH2
Harnstoff
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
Karbamid
NC(N)=O
XSQUKJJJFZCRTK-UHFFFAOYSA-N
carbamide
carbonyldiamide
ur
uree
CHEBI:16199
urea
Beilstein:635724
Beilstein
CAS:57-13-6
ChemIDplus
CAS:57-13-6
KEGG COMPOUND
CAS:57-13-6
NIST Chemistry WebBook
Drug_Central:4264
DrugCentral
Gmelin:1378
Gmelin
PMID:18037357
Europe PMC
PMID:22770225
Europe PMC
Reaxys:635724
Reaxys
UM-BBD_compID:c0165
UM-BBD
UREA
PDBeChem
Urea
KEGG_COMPOUND
urea
IUPAC
urea
UniProt
0
ChEBI
60.032
KEGG_COMPOUND
60.05534
ChEBI
CH4N2O
KEGG_COMPOUND
Carbamide
KEGG_COMPOUND
E927b
ChEBI
H2NC(O)NH2
ChEBI
Harnstoff
NIST_Chemistry_WebBook
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
ChEBI
Karbamid
ChEBI
NC(N)=O
ChEBI
XSQUKJJJFZCRTK-UHFFFAOYSA-N
ChEBI
carbamide
ChEBI
carbonyldiamide
NIST_Chemistry_WebBook
ur
IUPAC
uree
ChEBI
A divalent inorganic anion obtained by removal of both protons from phosphonic acid
CHEBI:14820
CHEBI:39856
CHEBI:8154
Gmelin:1618
KEGG:C06701
MetaCyc:PHOSPHONATE
PDBeChem:2PO
hydridotrioxidophosphate(2-)
hydridotrioxophosphate(2-)
chebi_ontology
-2
79.966
79.97990
ABLZXFCXXLZCGV-UHFFFAOYSA-L
HO3P
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
PHO3(2-)
PHOSPHONATE
Phosphonate
[H]P([O-])([O-])=O
[PHO3](2-)
phosphonate
CHEBI:16215
phosphonate(2-)
Gmelin:1618
Gmelin
hydridotrioxidophosphate(2-)
IUPAC
hydridotrioxophosphate(2-)
IUPAC
-2
ChEBI
79.966
ChEBI
79.97990
ChEBI
ABLZXFCXXLZCGV-UHFFFAOYSA-L
ChEBI
HO3P
ChEBI
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
ChEBI
PHO3(2-)
IUPAC
PHOSPHONATE
PDBeChem
Phosphonate
KEGG_COMPOUND
[H]P([O-])([O-])=O
ChEBI
[PHO3](2-)
IUPAC
phosphonate
IUPAC
phosphonate
UniProt
An optically active glycerol 1-phosphate having (S)-configuration.
CHEBI:12844
CHEBI:26702
CHEBI:26703
CHEBI:39668
CHEBI:5450
Beilstein:1723976
CAS:5746-57-6
KEGG:C00623
MetaCyc:SN-GLYCEROL-1-PHOSPHATE
PDBeChem:1GP
PMID:15066037
PMID:16428851
PMID:8586635
Reaxys:1723976
(2S)-2,3-dihydroxypropyl dihydrogen phosphate
sn-Glycerol 1-phosphate
sn-glycerol 1-(dihydrogen phosphate)
chebi_ontology
0
172.014
172.07372
AWUCVROLDVIAJX-VKHMYHEASA-N
C3H9O6P
D-(glycerol 3-phosphate)
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
L-(glycerol 1-phosphate)
L-Glycerol 1-phosphate
OC[C@H](O)COP(O)(O)=O
SN-GLYCEROL-1-PHOSPHATE
sn-Gro-1-P
CHEBI:16221
sn-glycerol 1-phosphate
Beilstein:1723976
Beilstein
CAS:5746-57-6
KEGG COMPOUND
PMID:15066037
Europe PMC
PMID:16428851
Europe PMC
PMID:8586635
Europe PMC
Reaxys:1723976
Reaxys
(2S)-2,3-dihydroxypropyl dihydrogen phosphate
IUPAC
sn-Glycerol 1-phosphate
KEGG_COMPOUND
sn-glycerol 1-(dihydrogen phosphate)
IUPAC
0
ChEBI
172.014
KEGG_COMPOUND
172.07372
ChEBI
AWUCVROLDVIAJX-VKHMYHEASA-N
ChEBI
C3H9O6P
KEGG_COMPOUND
D-(glycerol 3-phosphate)
CBN
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
ChEBI
L-(glycerol 1-phosphate)
CBN
L-Glycerol 1-phosphate
KEGG_COMPOUND
OC[C@H](O)COP(O)(O)=O
ChEBI
SN-GLYCEROL-1-PHOSPHATE
PDBeChem
sn-Gro-1-P
KEGG_COMPOUND
A 2-aminopurine carrying a 6-oxo substituent.
CHEBI:14371
CHEBI:14372
CHEBI:24443
CHEBI:42948
CHEBI:5563
Beilstein:147911
CAS:73-40-5
DrugBank:DB02377
Gmelin:431879
HMDB:HMDB00132
KEGG:C00242
KNApSAcK:C00001501
MetaCyc:GUANINE
PDBeChem:GUN
PMID:22770225
PMID:8070089
Reaxys:147911
Wikipedia:Guanine
2-amino-1,9-dihydro-6H-purin-6-one
GUANINE
Guanine
guanine
chebi_ontology
0
151.049
151.126
2-Amino-6-hydroxypurine
2-amino-6-oxopurine
C12=C(N=C(NC1=O)N)NC=N2
C5H5N5O
G
Gua
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
UYTPUPDQBNUYGX-UHFFFAOYSA-N
CHEBI:16235
guanine
Beilstein:147911
Beilstein
CAS:73-40-5
ChemIDplus
CAS:73-40-5
KEGG COMPOUND
CAS:73-40-5
NIST Chemistry WebBook
Gmelin:431879
Gmelin
PMID:22770225
Europe PMC
PMID:8070089
Europe PMC
Reaxys:147911
Reaxys
2-amino-1,9-dihydro-6H-purin-6-one
IUPAC
GUANINE
PDBeChem
Guanine
KEGG_COMPOUND
guanine
UniProt
0
ChEBI
151.049
ChEBI
151.126
ChEBI
2-Amino-6-hydroxypurine
KEGG_COMPOUND
2-amino-6-oxopurine
ChEBI
C12=C(N=C(NC1=O)N)NC=N2
ChEBI
C5H5N5O
ChEBI
C5H5N5O
KEGG_COMPOUND
G
ChEBI
Gua
CBN
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
ChEBI
UYTPUPDQBNUYGX-UHFFFAOYSA-N
ChEBI
A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group.
CHEBI:14222
CHEBI:23978
CHEBI:30878
CHEBI:30880
CHEBI:42377
CHEBI:44594
CHEBI:4879
Beilstein:1718733
CAS:64-17-5
DrugBank:DB00898
Drug_Central:1076
Gmelin:787
HMDB:HMDB00108
KEGG:C00469
KEGG:D00068
KEGG:D06542
KNApSAcK:C00019560
MetaCyc:ETOH
MolBase:858
MolBase:859
PDBeChem:EOH
PDBeChem:OHE
PMID:11046114
PMID:11090978
PMID:11198720
PMID:11200745
PMID:11262320
PMID:11303910
PMID:11333032
PMID:11505026
PMID:11590970
PMID:11728426
PMID:11750186
PMID:11754521
PMID:11810019
PMID:11826039
PMID:11981228
PMID:12824058
PMID:12829422
PMID:12888778
PMID:12946583
PMID:14674846
PMID:15019421
PMID:15239123
PMID:15285839
PMID:15464411
PMID:15465973
PMID:15749123
PMID:15900217
PMID:15902919
PMID:16084479
PMID:16133132
PMID:16352430
PMID:16390872
PMID:16737463
PMID:16891664
PMID:16934862
PMID:17043811
PMID:17190852
PMID:17663926
PMID:17687877
PMID:18095657
PMID:18249266
PMID:18320157
PMID:18347649
PMID:18408978
PMID:18411066
PMID:18456322
PMID:18513832
PMID:18922656
PMID:18925476
PMID:19280886
PMID:19359288
PMID:19384566
PMID:19458312
PMID:19851413
PMID:19901811
PMID:21600756
PMID:21762181
PMID:21881875
PMID:21967628
PMID:22019193
PMID:22222864
PMID:22261437
PMID:22286266
PMID:22306018
PMID:22331491
PMID:22336593
Reaxys:1718733
UM-BBD_compID:c0038
Wikipedia:Ethanol
colombos:ETHANOL
ETHANOL
Ethanol
ethanol
chebi_ontology
0
1-hydroxyethane
46.042
46.06844
Aethanol
Aethylalkohol
Alkohol
C2H5OH
C2H6O
CCO
Dehydrated ethanol
EtOH
Ethyl alcohol
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Methylcarbinol
[CH2Me(OH)]
[OEtH]
alcohol
alcohol etilico
alcool ethylique
etanol
hydroxyethane
spiritus vini
CHEBI:16236
ethanol
Beilstein:1718733
Beilstein
CAS:64-17-5
ChemIDplus
CAS:64-17-5
KEGG COMPOUND
CAS:64-17-5
NIST Chemistry WebBook
Drug_Central:1076
DrugCentral
Gmelin:787
Gmelin
PMID:11046114
Europe PMC
PMID:11090978
Europe PMC
PMID:11198720
Europe PMC
PMID:11200745
Europe PMC
PMID:11262320
Europe PMC
PMID:11303910
Europe PMC
PMID:11333032
Europe PMC
PMID:11505026
Europe PMC
PMID:11590970
Europe PMC
PMID:11728426
Europe PMC
PMID:11750186
Europe PMC
PMID:11754521
Europe PMC
PMID:11810019
Europe PMC
PMID:11826039
Europe PMC
PMID:11981228
Europe PMC
PMID:12824058
Europe PMC
PMID:12829422
Europe PMC
PMID:12888778
Europe PMC
PMID:12946583
Europe PMC
PMID:14674846
Europe PMC
PMID:15019421
Europe PMC
PMID:15239123
Europe PMC
PMID:15285839
Europe PMC
PMID:15464411
Europe PMC
PMID:15465973
Europe PMC
PMID:15749123
Europe PMC
PMID:15900217
Europe PMC
PMID:15902919
Europe PMC
PMID:16084479
Europe PMC
PMID:16133132
Europe PMC
PMID:16352430
Europe PMC
PMID:16390872
Europe PMC
PMID:16737463
Europe PMC
PMID:16891664
Europe PMC
PMID:16934862
Europe PMC
PMID:17043811
Europe PMC
PMID:17190852
Europe PMC
PMID:17663926
Europe PMC
PMID:17687877
Europe PMC
PMID:18095657
Europe PMC
PMID:18249266
Europe PMC
PMID:18320157
Europe PMC
PMID:18347649
Europe PMC
PMID:18408978
Europe PMC
PMID:18411066
Europe PMC
PMID:18456322
Europe PMC
PMID:18513832
Europe PMC
PMID:18922656
Europe PMC
PMID:18925476
Europe PMC
PMID:19280886
Europe PMC
PMID:19359288
Europe PMC
PMID:19384566
Europe PMC
PMID:19458312
Europe PMC
PMID:19851413
Europe PMC
PMID:19901811
Europe PMC
PMID:21600756
Europe PMC
PMID:21762181
Europe PMC
PMID:21881875
Europe PMC
PMID:21967628
Europe PMC
PMID:22019193
Europe PMC
PMID:22222864
Europe PMC
PMID:22261437
Europe PMC
PMID:22286266
Europe PMC
PMID:22306018
Europe PMC
PMID:22331491
Europe PMC
PMID:22336593
Europe PMC
Reaxys:1718733
Reaxys
UM-BBD_compID:c0038
ChEBI
ETHANOL
PDBeChem
Ethanol
KEGG_COMPOUND
ethanol
ChEBI
ethanol
IUPAC
ethanol
UniProt
0
ChEBI
1-hydroxyethane
ChemIDplus
46.042
KEGG_COMPOUND
46.06844
ChEBI
Aethanol
ChemIDplus
Aethylalkohol
ChemIDplus
Alkohol
ChemIDplus
C2H5OH
ChEBI
C2H6O
KEGG_COMPOUND
CCO
ChEBI
Dehydrated ethanol
KEGG_DRUG
EtOH
ChemIDplus
Ethyl alcohol
KEGG_COMPOUND
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
ChEBI
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ChEBI
Methylcarbinol
KEGG_COMPOUND
[CH2Me(OH)]
MolBase
[OEtH]
MolBase
alcohol
NIST_Chemistry_WebBook
alcohol etilico
ChEBI
alcool ethylique
ChemIDplus
etanol
ChEBI
hydroxyethane
ChemIDplus
spiritus vini
ChEBI
An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond.
CHEBI:13354
CHEBI:13355
CHEBI:24637
CHEBI:44812
CHEBI:5586
Beilstein:3587191
CAS:7722-84-1
Drug_Central:3281
Gmelin:509
HMDB:HMDB03125
KEGG:C00027
KEGG:D00008
MetaCyc:HYDROGEN-PEROXIDE
MolBase:932
PDBeChem:PEO
PMID:10455187
PMID:10557015
PMID:10849784
PMID:11033421
PMID:11105916
PMID:11318558
PMID:11387393
PMID:11809417
PMID:11864786
PMID:11893576
PMID:12867293
PMID:12934880
PMID:14679422
PMID:15028418
PMID:15133946
PMID:15298493
PMID:16337875
PMID:16463018
PMID:16864869
PMID:17020896
PMID:17179007
PMID:17610934
PMID:17948137
PMID:18179203
PMID:18182702
PMID:18306736
PMID:18443210
PMID:18592736
PMID:19107210
PMID:19229032
PMID:19297450
PMID:19509065
PMID:26352695
PMID:26365231
PMID:7548021
PMID:7581816
PMID:8048546
PMID:8375042
PMID:8451754
PMID:9051670
PMID:9100841
PMID:9168257
PMID:9202721
PMID:9558114
Reaxys:3587191
Wikipedia:Hydrogen_peroxide
colombos:H2O2
HYDROGEN PEROXIDE
Hydrogen peroxide
bis(hydridooxygen)(O--O)
dihydrogen peroxide
dihydrogen(peroxide)
dioxidane
hydrogen peroxide
chebi_ontology
0
34.005
34.01468
H2O2
HOOH
InChI=1S/H2O2/c1-2/h1-2H
MHAJPDPJQMAIIY-UHFFFAOYSA-N
Oxydol
[H]OO[H]
[OH(OH)]
dihydrogen dioxide
perhydrol
CHEBI:16240
hydrogen peroxide
Beilstein:3587191
Beilstein
CAS:7722-84-1
ChemIDplus
CAS:7722-84-1
KEGG COMPOUND
CAS:7722-84-1
NIST Chemistry WebBook
Drug_Central:3281
DrugCentral
Gmelin:509
Gmelin
PMID:10455187
Europe PMC
PMID:10557015
Europe PMC
PMID:10849784
Europe PMC
PMID:11033421
Europe PMC
PMID:11105916
Europe PMC
PMID:11318558
Europe PMC
PMID:11387393
Europe PMC
PMID:11809417
Europe PMC
PMID:11864786
Europe PMC
PMID:11893576
Europe PMC
PMID:12867293
Europe PMC
PMID:12934880
Europe PMC
PMID:14679422
Europe PMC
PMID:15028418
Europe PMC
PMID:15133946
Europe PMC
PMID:15298493
Europe PMC
PMID:16337875
Europe PMC
PMID:16463018
Europe PMC
PMID:16864869
Europe PMC
PMID:17020896
Europe PMC
PMID:17179007
Europe PMC
PMID:17610934
Europe PMC
PMID:17948137
Europe PMC
PMID:18179203
Europe PMC
PMID:18182702
Europe PMC
PMID:18306736
Europe PMC
PMID:18443210
Europe PMC
PMID:18592736
Europe PMC
PMID:19107210
Europe PMC
PMID:19229032
Europe PMC
PMID:19297450
Europe PMC
PMID:19509065
Europe PMC
PMID:26352695
Europe PMC
PMID:26365231
Europe PMC
PMID:7548021
Europe PMC
PMID:7581816
Europe PMC
PMID:8048546
Europe PMC
PMID:8375042
Europe PMC
PMID:8451754
Europe PMC
PMID:9051670
Europe PMC
PMID:9100841
Europe PMC
PMID:9168257
Europe PMC
PMID:9202721
Europe PMC
PMID:9558114
Europe PMC
Reaxys:3587191
Reaxys
HYDROGEN PEROXIDE
PDBeChem
Hydrogen peroxide
KEGG_COMPOUND
bis(hydridooxygen)(O--O)
IUPAC
dihydrogen peroxide
IUPAC
dihydrogen(peroxide)
IUPAC
dioxidane
IUPAC
hydrogen peroxide
IUPAC
0
ChEBI
34.005
KEGG_COMPOUND
34.01468
ChEBI
H2O2
KEGG_COMPOUND
H2O2
KEGG_COMPOUND
H2O2
UniProt
HOOH
IUPAC
InChI=1S/H2O2/c1-2/h1-2H
ChEBI
MHAJPDPJQMAIIY-UHFFFAOYSA-N
ChEBI
Oxydol
KEGG_COMPOUND
[H]OO[H]
ChEBI
[OH(OH)]
MolBase
dihydrogen dioxide
IUPAC
perhydrol
MetaCyc
A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine.
CHEBI:11704
CHEBI:14991
CHEBI:26472
CHEBI:45280
CHEBI:8696
Beilstein:317313
CAS:117-39-5
DrugBank:DB04216
Drug_Central:3514
Gmelin:579210
HMDB:HMDB05794
KEGG:C00389
KNApSAcK:C00004631
LINCS:LSM-4199
LIPID_MAPS_instance:LMPK12110004
MetaCyc:CPD-520
PDBeChem:QUE
PMID:16226777
PMID:17015250
PMID:17135030
PMID:17426744
PMID:18096136
PMID:18484521
PMID:18549926
PMID:18564899
PMID:18579649
PMID:18785622
PMID:19461927
PMID:22920589
PMID:23342112
PMID:23359794
PMID:27565033
PMID:27589790
PMID:27591927
PMID:27704720
Patent:KR20120121684
Patent:US2013012577
Reaxys:317313
Wikipedia:Quercetin
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Quercetin
chebi_ontology
0
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
3,3',4',5,7-pentahydroxyflavone
3,5,7,3',4'-PENTAHYDROXYFLAVONE
3,5,7,3',4'-Pentahydroxyflavone
302.043
302.23570
C15H10O7
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
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
REFJWTPEDVJJIY-UHFFFAOYSA-N
sophoretin
xanthaurine
CHEBI:16243
quercetin
Beilstein:317313
Beilstein
CAS:117-39-5
ChemIDplus
CAS:117-39-5
KEGG COMPOUND
Drug_Central:3514
DrugCentral
Gmelin:579210
Gmelin
LIPID_MAPS_instance:LMPK12110004
LIPID MAPS
PMID:16226777
Europe PMC
PMID:17015250
Europe PMC
PMID:17135030
Europe PMC
PMID:17426744
Europe PMC
PMID:18096136
Europe PMC
PMID:18484521
Europe PMC
PMID:18549926
Europe PMC
PMID:18564899
Europe PMC
PMID:18579649
Europe PMC
PMID:18785622
Europe PMC
PMID:19461927
Europe PMC
PMID:22920589
Europe PMC
PMID:23342112
Europe PMC
PMID:23359794
Europe PMC
PMID:27565033
Europe PMC
PMID:27589790
Europe PMC
PMID:27591927
Europe PMC
PMID:27704720
Europe PMC
Reaxys:317313
Reaxys
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
IUPAC
Quercetin
KEGG_COMPOUND
0
ChEBI
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
ChEBI
3,3',4',5,7-pentahydroxyflavone
ChEBI
3,5,7,3',4'-PENTAHYDROXYFLAVONE
PDBeChem
3,5,7,3',4'-Pentahydroxyflavone
KEGG_COMPOUND
302.043
KEGG_COMPOUND
302.23570
ChEBI
C15H10O7
KEGG_COMPOUND
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
ChEBI
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
ChEBI
REFJWTPEDVJJIY-UHFFFAOYSA-N
ChEBI
sophoretin
ChEBI
xanthaurine
ChEBI
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a halogen atom.
CHEBI:14385
CHEBI:24467
CHEBI:5608
KEGG:C01812
chebi_ontology
0
C2H3O2X
OC(=O)C*
CHEBI:16277
haloacetic acid
0
ChEBI
C2H3O2X
ChEBI
OC(=O)C*
ChEBI
A purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase.
CHEBI:10491
CHEBI:14069
CHEBI:19238
CHEBI:42290
CAS:1927-31-7
DrugBank:DB03222
KEGG:C00131
2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
dATP
chebi_ontology
0
2'-Deoxyadenosine 5'-triphosphate
2'-deoxyadenosine 5'-triphosphate
491.001
491.18160
C10H16N5O12P3
Deoxyadenosine 5'-triphosphate
Deoxyadenosine triphosphate
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
SUYVUBYJARFZHO-RRKCRQDMSA-N
CHEBI:16284
dATP
CAS:1927-31-7
KEGG COMPOUND
2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
IUPAC
dATP
KEGG_COMPOUND
0
ChEBI
2'-Deoxyadenosine 5'-triphosphate
KEGG_COMPOUND
2'-deoxyadenosine 5'-triphosphate
ChEBI
491.001
KEGG_COMPOUND
491.18160
ChEBI
C10H16N5O12P3
KEGG_COMPOUND
Deoxyadenosine 5'-triphosphate
KEGG_COMPOUND
Deoxyadenosine triphosphate
KEGG_COMPOUND
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
ChEBI
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
ChEBI
SUYVUBYJARFZHO-RRKCRQDMSA-N
ChEBI
The D-enantiomer of tryptophan.
CHEBI:13028
CHEBI:21110
CHEBI:42157
CHEBI:42206
CHEBI:42235
CHEBI:42297
CHEBI:4257
Beilstein:86198
CAS:153-94-6
DrugBank:DB03225
Gmelin:83743
HMDB:HMDB13609
KEGG:C00525
MetaCyc:D-TRYPTOPHAN
PDBeChem:DTR
PMID:21560237
PMID:22156410
PMID:22336999
PMID:24097941
Reaxys:86198
YMDB:YMDB00998
D-TRYPTOPHAN
D-Tryptophan
D-tryptophan
chebi_ontology
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
(R)-tryptophan
0
204.090
204.22526
C11H12N2O2
DTR
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
QIVBCDIJIAJPQS-SECBINFHSA-N
CHEBI:16296
D-tryptophan
Beilstein:86198
Beilstein
CAS:153-94-6
ChemIDplus
CAS:153-94-6
KEGG COMPOUND
Gmelin:83743
Gmelin
PMID:21560237
Europe PMC
PMID:22156410
Europe PMC
PMID:22336999
Europe PMC
PMID:24097941
Europe PMC
Reaxys:86198
Reaxys
D-TRYPTOPHAN
PDBeChem
D-Tryptophan
KEGG_COMPOUND
D-tryptophan
IUPAC
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
IUPAC
(R)-tryptophan
ChemIDplus
0
ChEBI
204.090
KEGG_COMPOUND
204.22526
ChEBI
C11H12N2O2
KEGG_COMPOUND
DTR
PDBeChem
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
ChEBI
N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
ChEBI
QIVBCDIJIAJPQS-SECBINFHSA-N
ChEBI
The nitrogen oxoanion formed by loss of a proton from nitrous acid.
CHEBI:14658
CHEBI:44396
CHEBI:7585
CAS:14797-65-0
Gmelin:977
KEGG:C00088
PDBeChem:NO2
Wikipedia:Nitrite
colombos:NO2
Nitrite
dioxidonitrate(1-)
dioxonitrate(1-)
dioxonitrate(III)
nitrite
chebi_ontology
-1
45.993
46.00554
IOVCWXUNBOPUCH-UHFFFAOYSA-M
InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
NITRITE ION
NO2
NO2(-)
Nitrit
[NO2](-)
[O-]N=O
nitrite anion
nitrite(1-)
nitrous acid, ion(1-)
CHEBI:16301
nitrite
CAS:14797-65-0
ChemIDplus
CAS:14797-65-0
NIST Chemistry WebBook
Gmelin:977
Gmelin
Nitrite
KEGG_COMPOUND
dioxidonitrate(1-)
IUPAC
dioxonitrate(1-)
IUPAC
dioxonitrate(III)
IUPAC
nitrite
IUPAC
nitrite
UniProt
-1
ChEBI
45.993
ChEBI
46.00554
ChEBI
IOVCWXUNBOPUCH-UHFFFAOYSA-M
ChEBI
InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
ChEBI
NITRITE ION
PDBeChem
NO2
ChEBI
NO2
ChEBI
NO2(-)
IUPAC
Nitrit
ChEBI
[NO2](-)
IUPAC
[O-]N=O
ChEBI
nitrite anion
ChemIDplus
nitrite(1-)
ChemIDplus
nitrous acid, ion(1-)
ChemIDplus
A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond.
CHEBI:13734
CHEBI:22237
CHEBI:2472
CHEBI:40558
CHEBI:40825
CHEBI:40906
Beilstein:93029
CAS:58-61-7
DrugBank:DB00640
Drug_Central:90
ECMDB:ECMDB00050
Gmelin:53385
HMDB:HMDB00050
KEGG:C00212
KEGG:D00045
KNApSAcK:C00007444
LINCS:LSM-28568
MetaCyc:ADENOSINE
PDBeChem:ADN
PMID:11213237
PMID:11820865
PMID:11978011
PMID:16183671
PMID:16917093
PMID:17190852
PMID:18000974
PMID:323854
Reaxys:93029
Wikipedia:Adenosine
YMDB:YMDB00058
ADENOSINE
Adenosine
adenosine
chebi_ontology
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
0
267.097
267.24152
6-Amino-9-beta-D-ribofuranosyl-9H-purine
9-beta-D-Ribofuranosidoadenine
9-beta-D-Ribofuranosyl-9H-purin-6-amine
9-beta-D-ribofuranosyl-9H-purin-6-amine
Ade-Rib
Adenine Deoxyribonucleoside
Adenocard
Adenocor
Adenoscan
Adenosin
Adenyldeoxyriboside
Ado
C10H13N5O4
Deoxyadenosine
Desoxyadenosine
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
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
OIRDTQYFTABQOQ-KQYNXXCUSA-N
beta-D-Adenosine
CHEBI:16335
adenosine
Beilstein:93029
Beilstein
CAS:58-61-7
ChemIDplus
CAS:58-61-7
KEGG COMPOUND
CAS:58-61-7
NIST Chemistry WebBook
Drug_Central:90
DrugCentral
Gmelin:53385
Gmelin
PMID:11213237
Europe PMC
PMID:11820865
Europe PMC
PMID:11978011
Europe PMC
PMID:16183671
Europe PMC
PMID:16917093
Europe PMC
PMID:17190852
Europe PMC
PMID:18000974
Europe PMC
PMID:323854
Europe PMC
Reaxys:93029
Reaxys
ADENOSINE
PDBeChem
Adenosine
KEGG_COMPOUND
adenosine
IUPAC
adenosine
UniProt
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
DrugBank
0
ChEBI
267.097
KEGG_COMPOUND
267.24152
ChEBI
6-Amino-9-beta-D-ribofuranosyl-9H-purine
ChemIDplus
9-beta-D-Ribofuranosidoadenine
ChemIDplus
9-beta-D-Ribofuranosyl-9H-purin-6-amine
ChemIDplus
9-beta-D-ribofuranosyl-9H-purin-6-amine
ChEBI
Ade-Rib
CBN
Adenine Deoxyribonucleoside
DrugBank
Adenocard
DrugBank
Adenocor
DrugBank
Adenoscan
DrugBank
Adenosin
ChEBI
Adenyldeoxyriboside
DrugBank
Ado
CBN
C10H13N5O4
KEGG_COMPOUND
Deoxyadenosine
DrugBank
Desoxyadenosine
DrugBank
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
ChEBI
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEBI
OIRDTQYFTABQOQ-KQYNXXCUSA-N
ChEBI
beta-D-Adenosine
ChemIDplus
A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.
CHEBI:1694
CHEBI:20223
CHEBI:23210
CHEBI:41494
Beilstein:2822009
CAS:81-25-4
DrugBank:DB02659
Drug_Central:3096
HMDB:HMDB00619
KEGG:C00695
LINCS:LSM-5541
LIPID_MAPS_instance:LMST04010001
MetaCyc:CHOLATE
PDBeChem:CHD
PMID:22770225
Reaxys:2822009
Wikipedia:Cholic_Acid
colombos:CHOLIC_ACID
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
CHOLIC ACID
Cholic acid
chebi_ontology
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid
0
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid
408.288
408.57140
BHQCQFFYRZLCQQ-OELDTZBJSA-N
C24H40O5
Cholsaeure
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O
CHEBI:16359
cholic acid
Beilstein:2822009
ChemIDplus
CAS:81-25-4
ChemIDplus
CAS:81-25-4
KEGG COMPOUND
CAS:81-25-4
NIST Chemistry WebBook
Drug_Central:3096
DrugCentral
LIPID_MAPS_instance:LMST04010001
LIPID MAPS
PMID:22770225
Europe PMC
Reaxys:2822009
Reaxys
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
IUPAC
CHOLIC ACID
PDBeChem
Cholic acid
KEGG_COMPOUND
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid
NIST_Chemistry_WebBook
0
ChEBI
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
KEGG_COMPOUND
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
KEGG_COMPOUND
3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid
NIST_Chemistry_WebBook
408.288
KEGG_COMPOUND
408.57140
ChEBI
BHQCQFFYRZLCQQ-OELDTZBJSA-N
ChEBI
C24H40O5
KEGG_COMPOUND
Cholsaeure
ChEBI
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
ChEBI
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O
ChEBI
An optically active form of cysteine having D-configuration.
CHEBI:12919
CHEBI:20921
CHEBI:4111
CHEBI:41887
Beilstein:1721407
CAS:921-01-7
DrugBank:DB03201
ECMDB:ECMDB03417
Gmelin:363236
HMDB:HMDB03417
KEGG:C00793
KNApSAcK:C00007323
PDBeChem:DCY
PMID:13761469
PMID:23340406
PMID:24800864
Reaxys:1721407
YMDB:YMDB00913
D-CYSTEINE
D-Cysteine
D-cysteine
chebi_ontology
(2S)-2-amino-3-mercaptopropanoic acid
(2S)-2-amino-3-sulfanylpropanoic acid
(S)-2-amino-3-mercaptopropanoic acid
0
121.020
121.15922
C3H7NO2S
D-Amino-3-mercaptopropionic acid
D-Cystein
D-Zystein
DCY
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
N[C@H](CS)C(O)=O
XUJNEKJLAYXESH-UWTATZPHSA-N
CHEBI:16375
D-cysteine
Beilstein:1721407
Beilstein
CAS:921-01-7
ChemIDplus
CAS:921-01-7
KEGG COMPOUND
Gmelin:363236
Gmelin
PMID:13761469
Europe PMC
PMID:23340406
Europe PMC
PMID:24800864
Europe PMC
Reaxys:1721407
Reaxys
D-CYSTEINE
PDBeChem
D-Cysteine
KEGG_COMPOUND
D-cysteine
IUPAC
(2S)-2-amino-3-mercaptopropanoic acid
JCBN
(2S)-2-amino-3-sulfanylpropanoic acid
IUPAC
(S)-2-amino-3-mercaptopropanoic acid
ChEBI
0
ChEBI
121.020
KEGG_COMPOUND
121.15922
ChEBI
C3H7NO2S
KEGG_COMPOUND
D-Amino-3-mercaptopropionic acid
KEGG_COMPOUND
D-Cystein
ChEBI
D-Zystein
ChEBI
DCY
PDBeChem
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
ChEBI
N[C@H](CS)C(O)=O
ChEBI
XUJNEKJLAYXESH-UWTATZPHSA-N
ChEBI
CHEBI:14121
CHEBI:37072
CHEBI:4426
KEGG:C00677
2'-deoxynucleoside 5'-(tetrahydrogen triphosphate)
chebi_ontology
0
2'-deoxyribonucleoside 5'-triphosphates
356.954
357.06290
C5H12O12P3R
Deoxynucleoside triphosphate
O[C@H]1C[C@H]([*])O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O
CHEBI:16381
2'-deoxyribonucleoside 5'-triphosphate
2'-deoxynucleoside 5'-(tetrahydrogen triphosphate)
IUPAC
0
ChEBI
2'-deoxyribonucleoside 5'-triphosphates
ChEBI
356.954
ChEBI
357.06290
ChEBI
C5H12O12P3R
ChEBI
Deoxynucleoside triphosphate
KEGG_COMPOUND
O[C@H]1C[C@H]([*])O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O
ChEBI
An optically active form of threonine having D-configuration.
CHEBI:13027
CHEBI:21107
CHEBI:42146
CHEBI:42196
CHEBI:42224
CHEBI:4254
CHEBI:45935
CHEBI:45990
Beilstein:1721643
Beilstein:4656043
CAS:632-20-2
DrugBank:DB03700
ECMDB:ECMDB21519
Gmelin:874136
HMDB:HMDB13775
KEGG:C00820
PDBeChem:DTH
PMID:15375647
PMID:17081141
PMID:22176976
Reaxys:1721643
YMDB:YMDB00802
D-THREONINE
D-Threonine
D-threonine
chebi_ontology
(2R,3S)-2-amino-3-hydroxybutanoic acid
0
119.058
119.11920
AYFVYJQAPQTCCC-STHAYSLISA-N
C4H9NO3
C[C@H](O)[C@@H](N)C(O)=O
D-2-Amino-3-hydroxybutyric acid
D-Threonin
DTH
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
CHEBI:16398
D-threonine
Beilstein:1721643
ChemIDplus
Beilstein:4656043
Beilstein
CAS:632-20-2
ChemIDplus
CAS:632-20-2
KEGG COMPOUND
Gmelin:874136
Gmelin
PMID:15375647
Europe PMC
PMID:17081141
Europe PMC
PMID:22176976
Europe PMC
Reaxys:1721643
Reaxys
D-THREONINE
PDBeChem
D-Threonine
KEGG_COMPOUND
D-threonine
IUPAC
(2R,3S)-2-amino-3-hydroxybutanoic acid
IUPAC
0
ChEBI
119.058
KEGG_COMPOUND
119.11920
ChEBI
AYFVYJQAPQTCCC-STHAYSLISA-N
ChEBI
C4H9NO3
KEGG_COMPOUND
C[C@H](O)[C@@H](N)C(O)=O
ChEBI
D-2-Amino-3-hydroxybutyric acid
HMDB
D-2-Amino-3-hydroxybutyric acid
KEGG_COMPOUND
D-Threonin
ChEBI
DTH
PDBeChem
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
ChEBI
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.
CHEBI:24802
CHEBI:5905
Beilstein:143358
CAS:87-51-4
DrugBank:DB07950
Gmelin:143197
HMDB:HMDB00197
KEGG:C00954
KNApSAcK:C00000100
PDBeChem:IAC
PMID:13610897
PMID:23545355
PMID:24285754
Reaxys:143358
Wikipedia:Indole-3-acetic_acid
colombos:IAA
1H-indol-3-ylacetic acid
Indole-3-acetic acid
chebi_ontology
(Indol-3-yl)acetate
(indol-3-yl)acetic acid
0
175.063
175.18400
2-(indol-3-yl)ethanoic acid
3-Indolylessigsaeure
C10H9NO2
IAA
IES
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
Indoleacetic acid
OC(=O)Cc1c[nH]c2ccccc12
SEOVTRFCIGRIMH-UHFFFAOYSA-N
heteroauxin
CHEBI:16411
indole-3-acetic acid
Beilstein:143358
Beilstein
CAS:87-51-4
ChemIDplus
CAS:87-51-4
KEGG COMPOUND
CAS:87-51-4
NIST Chemistry WebBook
Gmelin:143197
Gmelin
PMID:13610897
Europe PMC
PMID:23545355
Europe PMC
PMID:24285754
Europe PMC
Reaxys:143358
Reaxys
1H-indol-3-ylacetic acid
IUPAC
Indole-3-acetic acid
KEGG_COMPOUND
(Indol-3-yl)acetate
KEGG_COMPOUND
(indol-3-yl)acetic acid
UniProt
0
ChEBI
175.063
ChEBI
175.18400
ChEBI
2-(indol-3-yl)ethanoic acid
ChEBI
3-Indolylessigsaeure
ChEBI
C10H9NO2
ChEBI
IAA
KEGG_COMPOUND
IAA
NIST_Chemistry_WebBook
IES
ChEBI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
ChEBI
Indoleacetic acid
KEGG_COMPOUND
OC(=O)Cc1c[nH]c2ccccc12
ChEBI
SEOVTRFCIGRIMH-UHFFFAOYSA-N
ChEBI
heteroauxin
NIST_Chemistry_WebBook
An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.
CHEBI:13748
CHEBI:22277
CHEBI:2539
Beilstein:635807
CAS:302-72-7
Drug_Central:4306
Gmelin:2449
KEGG:C01401
PMID:17439666
PMID:22264337
Reaxys:635807
Wikipedia:Alanine
colombos:ALANINE
2-aminopropanoic acid
Alanine
alanine
chebi_ontology
0
2-Aminopropanoic acid
2-Aminopropionic acid
89.048
89.09322
A
ALA
Alanin
C3H7NO2
CC(N)C(O)=O
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
QNAYBMKLOCPYGJ-UHFFFAOYSA-N
alanina
CHEBI:16449
alanine
Beilstein:635807
Beilstein
CAS:302-72-7
ChemIDplus
CAS:302-72-7
KEGG COMPOUND
CAS:302-72-7
NIST Chemistry WebBook
Drug_Central:4306
DrugCentral
Gmelin:2449
Gmelin
PMID:17439666
Europe PMC
PMID:22264337
Europe PMC
Reaxys:635807
Reaxys
2-aminopropanoic acid
IUPAC
Alanine
KEGG_COMPOUND
alanine
IUPAC
alanine
UniProt
0
ChEBI
2-Aminopropanoic acid
KEGG_COMPOUND
2-Aminopropionic acid
KEGG_COMPOUND
89.048
KEGG_COMPOUND
89.09322
ChEBI
A
ChEBI
ALA
ChEBI
Alanin
ChEBI
C3H7NO2
KEGG_COMPOUND
CC(N)C(O)=O
ChEBI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
ChEBI
QNAYBMKLOCPYGJ-UHFFFAOYSA-N
ChEBI
alanina
ChEBI
A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group.
CHEBI:14739
CHEBI:25846
PMID:21463532
3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
pantothenate
chebi_ontology
-1
218.103
218.22700
C9H16NO5
CC(C)(CO)C(O)C(=O)NCCC([O-])=O
GHOKWGTUZJEAQD-UHFFFAOYSA-M
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1
N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate
CHEBI:16454
pantothenate
PMID:21463532
Europe PMC
3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
IUPAC
pantothenate
UniProt
-1
ChEBI
218.103
ChEBI
218.22700
ChEBI
C9H16NO5
ChEBI
CC(C)(CO)C(O)C(=O)NCCC([O-])=O
ChEBI
GHOKWGTUZJEAQD-UHFFFAOYSA-M
ChEBI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1
ChEBI
N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate
ChEBI
An L-alpha-amino acid that is the L-isomer of arginine.
CHEBI:13077
CHEBI:21235
CHEBI:42927
CHEBI:6185
Beilstein:1725413
CAS:74-79-3
DrugBank:DB00125
Drug_Central:1549
ECMDB:ECMDB00517
Gmelin:83283
HMDB:HMDB00517
KEGG:C00062
KEGG:D02982
KNApSAcK:C00001340
MetaCyc:ARG
PDBeChem:ARG
PDBeChem:GND
PMID:10848923
PMID:11139824
PMID:11300497
PMID:11898853
PMID:12812828
PMID:15016745
PMID:15465805
PMID:16056256
PMID:16416365
PMID:17168727
PMID:17439666
PMID:19030957
PMID:21600268
PMID:21814794
PMID:22179117
PMID:22243793
PMID:22251130
PMID:22361732
PMID:22425811
PMID:22428068
PMID:22439203
PMID:22553931
PMID:22619480
PMID:22626826
PMID:22652429
PMID:22667467
PMID:22709481
PMID:8070089
Reaxys:1725413
Wikipedia:L-arginine
YMDB:YMDB00592
L-Arginine
L-arginine
chebi_ontology
(2S)-2-amino-5-(carbamimidamido)pentanoic acid
(2S)-2-amino-5-guanidinopentanoic acid
(S)-2-Amino-5-guanidinovaleric acid
(S)-2-amino-5-guanidinopentanoic acid
0
174.112
174.20100
Arg
C6H14N4O2
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)/t4-/m0/s1
L-(+)-arginine
L-Arg
L-Arginin
N[C@@H](CCCNC(N)=N)C(O)=O
ODKSFYDXXFIFQN-BYPYZUCNSA-N
R
arginine
CHEBI:16467
L-arginine
Beilstein:1725413
ChemIDplus
CAS:74-79-3
ChemIDplus
CAS:74-79-3
KEGG COMPOUND
CAS:74-79-3
NIST Chemistry WebBook
Drug_Central:1549
DrugCentral
Gmelin:83283
Gmelin
PMID:10848923
Europe PMC
PMID:11139824
Europe PMC
PMID:11300497
Europe PMC
PMID:11898853
Europe PMC
PMID:12812828
Europe PMC
PMID:15016745
Europe PMC
PMID:15465805
Europe PMC
PMID:16056256
Europe PMC
PMID:16416365
Europe PMC
PMID:17168727
Europe PMC
PMID:17439666
Europe PMC
PMID:19030957
Europe PMC
PMID:21600268
Europe PMC
PMID:21814794
Europe PMC
PMID:22179117
Europe PMC
PMID:22243793
Europe PMC
PMID:22251130
Europe PMC
PMID:22361732
Europe PMC
PMID:22425811
Europe PMC
PMID:22428068
Europe PMC
PMID:22439203
Europe PMC
PMID:22553931
Europe PMC
PMID:22619480
Europe PMC
PMID:22626826
Europe PMC
PMID:22652429
Europe PMC
PMID:22667467
Europe PMC
PMID:22709481
Europe PMC
PMID:8070089
Europe PMC
Reaxys:1725413
Reaxys
L-Arginine
KEGG_COMPOUND
L-arginine
IUPAC
(2S)-2-amino-5-(carbamimidamido)pentanoic acid
IUPAC
(2S)-2-amino-5-guanidinopentanoic acid
JCBN
(S)-2-Amino-5-guanidinovaleric acid
KEGG_COMPOUND
(S)-2-amino-5-guanidinopentanoic acid
ChEBI
0
ChEBI
174.112
KEGG_COMPOUND
174.20100
ChEBI
Arg
DrugBank
C6H14N4O2
KEGG_COMPOUND
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)/t4-/m0/s1
ChEBI
L-(+)-arginine
NIST_Chemistry_WebBook
L-Arg
DrugBank
L-Arginin
ChEBI
N[C@@H](CCCNC(N)=N)C(O)=O
ChEBI
ODKSFYDXXFIFQN-BYPYZUCNSA-N
ChEBI
R
MetaCyc
arginine
KEGG_DRUG
A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom.
CHEBI:14657
CHEBI:25546
CHEBI:44452
CHEBI:7583
CAS:10102-43-9
DrugBank:DB00435
Gmelin:451
KEGG:C00533
KEGG:D00074
MolBase:943
PDBeChem:NO
Reaxys:3587257
Wikipedia:Nitric_oxide
Nitric oxide
nitric oxide
oxidonitrogen(.)
oxoazanyl
chebi_ontology
(.)NO
(NO)(.)
0
29.998
30.00614
EDRF
InChI=1S/NO/c1-2
MWUXSHHQAYIFBG-UHFFFAOYSA-N
NO
NO(.)
Nitrogen monoxide
Stickstoff(II)-oxid
Stickstoffmonoxid
[NO]
[N]=O
endothelium-derived relaxing factor
mononitrogen monoxide
monoxido de nitrogeno
monoxyde d'azote
nitrogen monooxide
nitrogen monoxide
nitrosyl
oxido de nitrogeno(II)
oxido nitrico
oxyde azotique
oxyde nitrique
CHEBI:16480
nitric oxide
CAS:10102-43-9
ChemIDplus
CAS:10102-43-9
KEGG COMPOUND
CAS:10102-43-9
NIST Chemistry WebBook
Gmelin:451
Gmelin
Reaxys:3587257
Reaxys
Nitric oxide
KEGG_COMPOUND
nitric oxide
UniProt
oxidonitrogen(.)
IUPAC
oxoazanyl
IUPAC
(.)NO
ChEBI
(NO)(.)
IUPAC
0
ChEBI
29.998
KEGG_COMPOUND
30.00614
ChEBI
EDRF
ChEBI
InChI=1S/NO/c1-2
ChEBI
MWUXSHHQAYIFBG-UHFFFAOYSA-N
ChEBI
NO
KEGG_COMPOUND
NO
KEGG_COMPOUND
NO(.)
IUPAC
Nitrogen monoxide
KEGG_COMPOUND
Stickstoff(II)-oxid
ChEBI
Stickstoffmonoxid
ChEBI
[NO]
MolBase
[N]=O
ChEBI
endothelium-derived relaxing factor
ChEBI
mononitrogen monoxide
ChemIDplus
monoxido de nitrogeno
ChEBI
monoxyde d'azote
ChEBI
nitrogen monooxide
IUPAC
nitrogen monoxide
IUPAC
nitrosyl
IUPAC
oxido de nitrogeno(II)
ChEBI
oxido nitrico
ChEBI
oxyde azotique
ChEBI
oxyde nitrique
ChEBI
Any neuraminic acid carrying an N-acyl substituent.
CHEBI:12485
CHEBI:21664
CHEBI:7240
KEGG:C00591
5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
chebi_ontology
0
294.083
294.23530
C10H16NO9R
N-Acylneuraminate
N-acylneuraminic acids
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC([*])=O)C(O)=O)[C@H](O)[C@H](O)CO
CHEBI:16498
N-acylneuraminic acid
5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
IUPAC
0
ChEBI
294.083
ChEBI
294.23530
ChEBI
C10H16NO9R
ChEBI
N-Acylneuraminate
KEGG_COMPOUND
N-acylneuraminic acids
ChEBI
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC([*])=O)C(O)=O)[C@H](O)[C@H](O)CO
ChEBI
CHEBI:11397
CHEBI:19258
CHEBI:839
KEGG:C04283
2'-Deoxyribonucleoside triphosphate
2'-deoxyribonucleoside triphosphate
chebi_ontology
2'-deoxyribonucleoside triphosphates
C5H12O12P3R
CHEBI:16516
2'-deoxyribonucleoside triphosphate
2'-Deoxyribonucleoside triphosphate
KEGG_COMPOUND
2'-deoxyribonucleoside triphosphate
UniProt
2'-deoxyribonucleoside triphosphates
ChEBI
C5H12O12P3R
KEGG_COMPOUND
The R-enantiomer of serine.
CHEBI:13019
CHEBI:143888
CHEBI:21090
CHEBI:42262
CHEBI:4245
Beilstein:1721403
CAS:312-84-5
DrugBank:DB03929
ECMDB:ECMDB03406
Gmelin:1041392
HMDB:HMDB03406
KEGG:C00740
MetaCyc:D-SERINE
PDBeChem:DSN
PMID:11864625
PMID:12850593
PMID:19212759
PMID:19217074
PMID:21295046
PMID:21914633
PMID:21956571
PMID:22117694
PMID:22128843
PMID:22266400
PMID:22280157
PMID:22362148
PMID:22369458
PMID:22445805
PMID:22465696
PMID:22486999
Reaxys:1721403
YMDB:YMDB00284
D-SERINE
D-Serine
D-serine
chebi_ontology
(2R)-2-amino-3-hydroxypropanoic acid
(R)-2-Amino-3-hydroxy-propionic acid
(R)-2-amino-3-hydroxypropanoic acid
0
105.043
105.09262
C3H7NO3
D-Serin
DSN
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
MTCFGRXMJLQNBG-UWTATZPHSA-N
N[C@H](CO)C(O)=O
CHEBI:16523
D-serine
Beilstein:1721403
Beilstein
CAS:312-84-5
ChemIDplus
CAS:312-84-5
KEGG COMPOUND
CAS:312-84-5
NIST Chemistry WebBook
Gmelin:1041392
Gmelin
PMID:11864625
Europe PMC
PMID:12850593
Europe PMC
PMID:19212759
Europe PMC
PMID:19217074
Europe PMC
PMID:21295046
Europe PMC
PMID:21914633
Europe PMC
PMID:21956571
Europe PMC
PMID:22117694
Europe PMC
PMID:22128843
Europe PMC
PMID:22266400
Europe PMC
PMID:22280157
Europe PMC
PMID:22362148
Europe PMC
PMID:22369458
Europe PMC
PMID:22445805
Europe PMC
PMID:22465696
Europe PMC
PMID:22486999
Europe PMC
Reaxys:1721403
Reaxys
D-SERINE
PDBeChem
D-Serine
KEGG_COMPOUND
D-serine
IUPAC
(2R)-2-amino-3-hydroxypropanoic acid
IUPAC
(R)-2-Amino-3-hydroxy-propionic acid
ChEMBL
(R)-2-amino-3-hydroxypropanoic acid
ChEBI
0
ChEBI
105.043
KEGG_COMPOUND
105.09262
ChEBI
C3H7NO3
KEGG_COMPOUND
D-Serin
ChEBI
DSN
PDBeChem
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
ChEBI
MTCFGRXMJLQNBG-UWTATZPHSA-N
ChEBI
N[C@H](CO)C(O)=O
ChEBI
A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food.
CHEBI:13282
CHEBI:13283
CHEBI:13284
CHEBI:13285
CHEBI:23011
CHEBI:3283
CHEBI:48829
Beilstein:1900390
CAS:124-38-9
Drug_Central:4256
Gmelin:989
HMDB:HMDB01967
KEGG:C00011
KEGG:D00004
MetaCyc:CARBON-DIOXIDE
MolBase:752
PDBeChem:CO2
PMID:10826146
PMID:11094503
PMID:11584085
PMID:11802652
PMID:14639145
PMID:15050588
PMID:16591971
PMID:16656478
PMID:16659660
PMID:17190796
PMID:17448243
PMID:17878298
PMID:17884085
PMID:19043767
PMID:19259576
PMID:19854893
PMID:23384758
PMID:23828359
PMID:24258718
PMID:8482095
PMID:8818713
PMID:8869828
PMID:9611769
PMID:9730350
Reaxys:1900390
UM-BBD_compID:c0131
Wikipedia:Carbon_dioxide
colombos:CO2
CARBON DIOXIDE
Carbon dioxide
carbon dioxide
dioxidocarbon
chebi_ontology
0
43.990
44.00950
CO2
CURLTUGMZLYLDI-UHFFFAOYSA-N
E 290
E-290
E290
InChI=1S/CO2/c2-1-3
O=C=O
R-744
[CO2]
carbonic anhydride
CHEBI:16526
carbon dioxide
Beilstein:1900390
Beilstein
CAS:124-38-9
ChemIDplus
CAS:124-38-9
KEGG COMPOUND
CAS:124-38-9
NIST Chemistry WebBook
Drug_Central:4256
DrugCentral
Gmelin:989
Gmelin
PMID:10826146
Europe PMC
PMID:11094503
Europe PMC
PMID:11584085
Europe PMC
PMID:11802652
Europe PMC
PMID:14639145
Europe PMC
PMID:15050588
Europe PMC
PMID:16591971
Europe PMC
PMID:16656478
Europe PMC
PMID:16659660
Europe PMC
PMID:17190796
Europe PMC
PMID:17448243
Europe PMC
PMID:17878298
Europe PMC
PMID:17884085
Europe PMC
PMID:19043767
Europe PMC
PMID:19259576
Europe PMC
PMID:19854893
Europe PMC
PMID:23384758
Europe PMC
PMID:23828359
Europe PMC
PMID:24258718
Europe PMC
PMID:8482095
Europe PMC
PMID:8818713
Europe PMC
PMID:8869828
Europe PMC
PMID:9611769
Europe PMC
PMID:9730350
Europe PMC
Reaxys:1900390
Reaxys
UM-BBD_compID:c0131
UM-BBD
CARBON DIOXIDE
PDBeChem
Carbon dioxide
KEGG_COMPOUND
carbon dioxide
IUPAC
dioxidocarbon
IUPAC
0
ChEBI
43.990
KEGG_COMPOUND
44.00950
ChEBI
CO2
KEGG_COMPOUND
CO2
KEGG_COMPOUND
CO2
UniProt
CURLTUGMZLYLDI-UHFFFAOYSA-N
ChEBI
E 290
ChEBI
E-290
ChEBI
E290
ChEBI
InChI=1S/CO2/c2-1-3
ChEBI
O=C=O
ChEBI
R-744
ChEBI
[CO2]
MolBase
carbonic anhydride
UM-BBD
A dicarboxylic acid dianion that is the conjugate base of galactarate(1-).
CHEBI:12929
CHEBI:14285
CHEBI:20944
CHEBI:24135
Beilstein:3909240
Gmelin:1065131
MetaCyc:D-GALACTARATE
Reaxys:3909240
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate
meso-galactarate
chebi_ontology
-2
208.022
208.12292
C6H8O8
DSLZVSRJTYRBFB-DUHBMQHGSA-L
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3+,4-
O[C@@H]([C@@H](O)[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O
galactarate
CHEBI:16537
galactarate(2-)
Beilstein:3909240
Beilstein
Gmelin:1065131
Gmelin
Reaxys:3909240
Reaxys
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate
IUPAC
meso-galactarate
IUPAC
-2
ChEBI
208.022
ChEBI
208.12292
ChEBI
C6H8O8
ChEBI
DSLZVSRJTYRBFB-DUHBMQHGSA-L
ChEBI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3+,4-
ChEBI
O[C@@H]([C@@H](O)[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O
ChEBI
galactarate
UniProt
A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.
CHEBI:10202
CHEBI:12281
CHEBI:12284
CHEBI:12287
CHEBI:15251
CHEBI:22365
CHEBI:46211
Beilstein:1292766
CAS:99-20-7
Gmelin:2145829
HMDB:HMDB00975
KEGG:C01083
KEGG:G00293
KNApSAcK:C00001152
LINCS:LSM-37121
MetaCyc:TREHALOSE
PDBeChem:TRE
PMID:17439666
Reaxys:1292766
Wikipedia:Trehalose
alpha,alpha-Trehalose
alpha,alpha-trehalose
alpha-D-glucopyranosyl alpha-D-glucopyranoside
chebi_ontology
(Glc)2
0
342.116
342.29648
C12H22O11
D-(+)-trehalose
HDTRYLNUVZCQOY-LIZSDCNHSA-N
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
TREHALOSE
Trehalose
alpha,alpha'-Trehalose
alpha-D-Glcp-(1<->1)-alpha-D-Glcp
alpha-D-Trehalose
alpha-D-glucopyranosyl-alpha-D-glucopyranoside
alpha-trehalose
ergot sugar
mycose
CHEBI:16551
alpha,alpha-trehalose
Beilstein:1292766
Beilstein
CAS:99-20-7
ChemIDplus
CAS:99-20-7
KEGG COMPOUND
CAS:99-20-7
NIST Chemistry WebBook
Gmelin:2145829
Gmelin
PMID:17439666
Europe PMC
Reaxys:1292766
Reaxys
alpha,alpha-Trehalose
KEGG_COMPOUND
alpha,alpha-trehalose
UniProt
alpha-D-glucopyranosyl alpha-D-glucopyranoside
IUPAC
(Glc)2
KEGG_GLYCAN
0
ChEBI
342.116
KEGG_COMPOUND
342.29648
ChEBI
C12H22O11
KEGG_COMPOUND
D-(+)-trehalose
NIST_Chemistry_WebBook
HDTRYLNUVZCQOY-LIZSDCNHSA-N
ChEBI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
ChEBI
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI
TREHALOSE
PDBeChem
Trehalose
KEGG_COMPOUND
alpha,alpha'-Trehalose
KEGG_COMPOUND
alpha-D-Glcp-(1<->1)-alpha-D-Glcp
JCBN
alpha-D-Trehalose
NIST_Chemistry_WebBook
alpha-D-glucopyranosyl-alpha-D-glucopyranoside
NIST_Chemistry_WebBook
alpha-trehalose
NIST_Chemistry_WebBook
ergot sugar
NIST_Chemistry_WebBook
mycose
NIST_Chemistry_WebBook
An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group.
CHEBI:13841
CHEBI:22575
Beilstein:3904977
Gmelin:131077
HMDB:HMDB01123
KEGG:C00108
MetaCyc:ANTHRANILATE
Reaxys:3904977
UM-BBD_compID:c0345
2-aminobenzoate
anthranilate
chebi_ontology
-1
136.040
136.12808
C7H6NO2
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
Nc1ccccc1C([O-])=O
RWZYAGGXGHYGMB-UHFFFAOYSA-M
CHEBI:16567
anthranilate
Beilstein:3904977
Beilstein
Gmelin:131077
Gmelin
KEGG:C00108
ChEBI
Reaxys:3904977
Reaxys
UM-BBD_compID:c0345
ChEBI
2-aminobenzoate
IUPAC
anthranilate
UniProt
-1
ChEBI
136.040
ChEBI
136.12808
ChEBI
C7H6NO2
ChEBI
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
ChEBI
Nc1ccccc1C([O-])=O
ChEBI
RWZYAGGXGHYGMB-UHFFFAOYSA-M
ChEBI
A triamine that is the 1,5,10-triaza derivative of decane.
CHEBI:15095
CHEBI:15097
CHEBI:26732
CHEBI:26733
CHEBI:45647
CHEBI:9218
Beilstein:1698591
CAS:124-20-9
DrugBank:DB03566
Gmelin:454510
HMDB:HMDB01257
KEGG:C00315
KNApSAcK:C00001431
LINCS:LSM-37075
MetaCyc:SPERMIDINE
PDBeChem:SPD
PMID:22770225
Reaxys:1698591
Wikipedia:Spermidine
N-(3-aminopropyl)butane-1,4-diamine
SPERMIDINE
Spermidine
chebi_ontology
0
1,5,10-triazadecane
145.158
145.24598
4-azaoctamethylenediamine
4-azaoctane-1,8-diamine
ATHGHQPFGPMSJY-UHFFFAOYSA-N
C7H19N3
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
N-(3-Aminopropyl)-1,4-butane-diamine
NCCCCNCCCN
Spermidin
CHEBI:16610
spermidine
Beilstein:1698591
ChemIDplus
CAS:124-20-9
ChemIDplus
CAS:124-20-9
KEGG COMPOUND
Gmelin:454510
Gmelin
PMID:22770225
Europe PMC
Reaxys:1698591
Reaxys
N-(3-aminopropyl)butane-1,4-diamine
IUPAC
SPERMIDINE
PDBeChem
Spermidine
KEGG_COMPOUND
0
ChEBI
1,5,10-triazadecane
ChemIDplus
145.158
KEGG_COMPOUND
145.24598
ChEBI
4-azaoctamethylenediamine
ChemIDplus
4-azaoctane-1,8-diamine
IUBMB
ATHGHQPFGPMSJY-UHFFFAOYSA-N
ChEBI
C7H19N3
KEGG_COMPOUND
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
ChEBI
N-(3-Aminopropyl)-1,4-butane-diamine
KEGG_COMPOUND
NCCCCNCCCN
ChEBI
Spermidin
ChEBI
The L-enantiomer of methionine.
CHEBI:13141
CHEBI:21360
CHEBI:43990
CHEBI:6271
CAS:63-68-3
DrugBank:DB00134
Drug_Central:3347
ECMDB:ECMDB00696
Gmelin:26935
HMDB:HMDB00696
KEGG:C00073
KEGG:D00019
KNApSAcK:C00001379
MetaCyc:MET
PDBeChem:MET_LFOH
PMID:16575097
PMID:21683740
PMID:21946918
PMID:22200379
PMID:22370952
PMID:22448874
PMID:22517898
PMID:24126240
PMID:24939187
PMID:5764336
Reaxys:1722294
YMDB:YMDB00318
L-Methionine
L-methionine
chebi_ontology
(2S)-2-amino-4-(methylsulfanyl)butanoic acid
(S)-2-amino-4-(methylthio)butanoic acid
(S)-2-amino-4-(methylthio)butyric acid
(S)-methionine
0
149.051
149.21238
C5H11NO2S
CSCC[C@H](N)C(O)=O
FFEARJCKVFRZRR-BYPYZUCNSA-N
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
L-(-)-methionine
L-Methionin
L-alpha-amino-gamma-methylmercaptobutyric acid
M
METHIONINE
Met
Methionine
CHEBI:16643
L-methionine
CAS:63-68-3
ChemIDplus
CAS:63-68-3
KEGG COMPOUND
CAS:63-68-3
NIST Chemistry WebBook
Drug_Central:3347
DrugCentral
Gmelin:26935
Gmelin
PMID:16575097
Europe PMC
PMID:21683740
Europe PMC
PMID:21946918
Europe PMC
PMID:22200379
Europe PMC
PMID:22370952
Europe PMC
PMID:22448874
Europe PMC
PMID:22517898
Europe PMC
PMID:24126240
Europe PMC
PMID:24939187
Europe PMC
PMID:5764336
Europe PMC
Reaxys:1722294
Reaxys
L-Methionine
KEGG_COMPOUND
L-methionine
IUPAC
(2S)-2-amino-4-(methylsulfanyl)butanoic acid
IUPAC
(S)-2-amino-4-(methylthio)butanoic acid
ChemIDplus
(S)-2-amino-4-(methylthio)butyric acid
ChemIDplus
(S)-methionine
ChEBI
0
ChEBI
149.051
KEGG_COMPOUND
149.21238
ChEBI
C5H11NO2S
KEGG_COMPOUND
CSCC[C@H](N)C(O)=O
ChEBI
FFEARJCKVFRZRR-BYPYZUCNSA-N
ChEBI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
ChEBI
L-(-)-methionine
NIST_Chemistry_WebBook
L-Methionin
ChEBI
L-alpha-amino-gamma-methylmercaptobutyric acid
NIST_Chemistry_WebBook
M
ChEBI
METHIONINE
PDBeChem
Met
ChEBI
Methionine
KEGG_COMPOUND
Methionine
KEGG_DRUG
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.
CHEBI:15131
CHEBI:23008
CHEBI:9318
Wikipedia:Carbohydrate
carbohydrate
carbohydrates
chebi_ontology
Kohlenhydrat
Kohlenhydrate
carbohidrato
carbohidratos
glucide
glucides
glucido
glucidos
hydrates de carbone
saccharide
saccharides
saccharidum
CHEBI:16646
carbohydrate
carbohydrate
IUPAC
carbohydrates
IUPAC
Kohlenhydrat
ChEBI
Kohlenhydrate
ChEBI
carbohidrato
IUPAC
carbohidratos
IUPAC
glucide
ChEBI
glucides
ChEBI
glucido
ChEBI
glucidos
ChEBI
hydrates de carbone
ChEBI
saccharide
IUPAC
saccharides
IUPAC
saccharidum
ChEBI
The 1-O-phospho derivative of L-fuculose.
CHEBI:13104
CHEBI:13105
CHEBI:21296
Beilstein:1881578
KEGG:C01099
KNApSAcK:C00019651
6-deoxy-L-lyxo-hex-2-ulose 1-(dihydrogen phosphate)
6-deoxy-L-tagatose 1-(dihydrogen phosphate)
chebi_ontology
0
244.035
244.13638
6-deoxy-1-O-phosphono-L-tagatose
C6H13O8P
C[C@H](O)[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O
InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6-/m0/s1
KNYGWWDTPGSEPD-LFRDXLMFSA-N
CHEBI:16647
L-fuculose 1-phosphate
Beilstein:1881578
Beilstein
6-deoxy-L-lyxo-hex-2-ulose 1-(dihydrogen phosphate)
IUPAC
6-deoxy-L-tagatose 1-(dihydrogen phosphate)
IUPAC
0
ChEBI
244.035
ChEBI
244.13638
ChEBI
6-deoxy-1-O-phosphono-L-tagatose
IUPAC
C6H13O8P
ChEBI
C[C@H](O)[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O
ChEBI
InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6-/m0/s1
ChEBI
KNYGWWDTPGSEPD-LFRDXLMFSA-N
ChEBI
An optically active form of lactate having (S)-configuration.
CHEBI:11065
CHEBI:12411
CHEBI:18783
Beilstein:4655977
Gmelin:324523
KEGG:C00186
MetaCyc:L-LACTATE
Reaxys:4655977
UM-BBD_compID:c0152
(2S)-2-hydroxypropanoate
(S)-lactate
chebi_ontology
(+)-lactate
-1
89.024
89.07000
C3H5O3
C[C@H](O)C([O-])=O
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1
JVTAAEKCZFNVCJ-REOHCLBHSA-M
L(+)-lactate
L-(+)-lactate
L-lactate
CHEBI:16651
(S)-lactate
Beilstein:4655977
Beilstein
Gmelin:324523
Gmelin
KEGG:C00186
ChEBI
Reaxys:4655977
Reaxys
UM-BBD_compID:c0152
ChEBI
(2S)-2-hydroxypropanoate
IUPAC
(S)-lactate
UniProt
(+)-lactate
ChEBI
-1
ChEBI
89.024
ChEBI
89.07000
ChEBI
C3H5O3
ChEBI
C[C@H](O)C([O-])=O
ChEBI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1
ChEBI
JVTAAEKCZFNVCJ-REOHCLBHSA-M
ChEBI
L(+)-lactate
ChEBI
L-(+)-lactate
ChEBI
L-lactate
UM-BBD
A glycerate that is the conjugate base of D-glyceric acid, obtained by deprotonation of the carboxy group.
CHEBI:10999
CHEBI:12985
CHEBI:21027
Beilstein:6114954
Gmelin:1146853
HMDB:HMDB00139
KEGG:C00258
MetaCyc:GLYCERATE
Reaxys:6114954
(2R)-2,3-dihydroxypropanoate
D-glycerate
chebi_ontology
(R)-glycerate
(R)-glycerate anion
-1
105.019
105.06940
C3H5O4
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m1/s1
OC[C@@H](O)C([O-])=O
RBNPOMFGQQGHHO-UWTATZPHSA-M
alpha,beta-Hydroxypropionate
CHEBI:16659
D-glycerate
Beilstein:6114954
Beilstein
Gmelin:1146853
Gmelin
KEGG:C00258
ChEBI
Reaxys:6114954
Reaxys
(2R)-2,3-dihydroxypropanoate
IUPAC
D-glycerate
UniProt
(R)-glycerate
HMDB
(R)-glycerate anion
ChEBI
-1
ChEBI
105.019
ChEBI
105.06940
ChEBI
C3H5O4
ChEBI
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m1/s1
ChEBI
OC[C@@H](O)C([O-])=O
ChEBI
RBNPOMFGQQGHHO-UWTATZPHSA-M
ChEBI
alpha,beta-Hydroxypropionate
HMDB
Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
CHEBI:14753
CHEBI:25906
CHEBI:7990
KEGG:C00012
Peptide
peptides
chebi_ontology
(C2H2NOR)nC2H3NOR
0
Peptid
peptido
peptidos
CHEBI:16670
peptide
Peptide
KEGG_COMPOUND
peptides
IUPAC
(C2H2NOR)nC2H3NOR
ChEBI
0
ChEBI
Peptid
ChEBI
peptido
ChEBI
peptidos
ChEBI
A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase.
CHEBI:13508
CHEBI:13509
CHEBI:27231
CHEBI:46362
CHEBI:46382
CHEBI:47721
CHEBI:9849
Beilstein:47486
CAS:58-97-9
DrugBank:DB03685
Gmelin:310455
HMDB:HMDB00288
KEGG:C00105
KNApSAcK:C00007311
MetaCyc:UMP
PDBeChem:U5PrF10
PDBeChem:UrF10
PMID:22735334
PMID:2559771
Reaxys:47486
Wikipedia:Uridine_monophosphate
5'-uridylic acid
UMP
chebi_ontology
0
324.036
324.18136
5'-UMP
5'Uridylic acid
C9H13N2O9P
DJJCXFVJDGTHFX-XVFCMESISA-N
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
URIDINE-5'-MONOPHOSPHATE
Uridine 5'-monophosphate
Uridine monophosphate
Uridylic acid
pU
uridine 5'-(dihydrogen phosphate)
uridine 5'-phosphate
uridine 5'-phosphoric acid
uridylate
CHEBI:16695
UMP
Beilstein:47486
Beilstein
CAS:58-97-9
ChemIDplus
CAS:58-97-9
KEGG COMPOUND
Gmelin:310455
Gmelin
PMID:22735334
Europe PMC
PMID:2559771
Europe PMC
Reaxys:47486
Reaxys
5'-uridylic acid
IUPAC
UMP
KEGG_COMPOUND
0
ChEBI
324.036
KEGG_COMPOUND
324.18136
ChEBI
5'-UMP
ChemIDplus
5'Uridylic acid
KEGG_COMPOUND
C9H13N2O9P
KEGG_COMPOUND
DJJCXFVJDGTHFX-XVFCMESISA-N
ChEBI
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
ChEBI
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
ChEBI
URIDINE-5'-MONOPHOSPHATE
PDBeChem
Uridine 5'-monophosphate
KEGG_COMPOUND
Uridine monophosphate
KEGG_COMPOUND
Uridylic acid
KEGG_COMPOUND
pU
CBN
pU
ChEBI
uridine 5'-(dihydrogen phosphate)
ChemIDplus
uridine 5'-phosphate
ChemIDplus
uridine 5'-phosphoric acid
ChemIDplus
uridylate
ChEBI
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.
CHEBI:14674
CHEBI:25603
CHEBI:7650
KEGG:C01117
Nucleoside 5'-phosphate
chebi_ontology
0
196.014
196.09510
C5H9O6PR2
O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O
nucleoside 5'-phosphates
CHEBI:16701
nucleoside 5'-phosphate
Nucleoside 5'-phosphate
KEGG_COMPOUND
0
ChEBI
196.014
ChEBI
196.09510
ChEBI
C5H9O6PR2
ChEBI
O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O
ChEBI
nucleoside 5'-phosphates
ChEBI
A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.
CHEBI:20705
CHEBI:2172
Beilstein:15080
Beilstein:959078
CAS:551-16-6
Gmelin:1876702
KEGG:C02954
PDBeChem:X1E
PMID:12569987
PMID:1384868
PMID:14687482
PMID:1701026
PMID:20970923
PMID:21614893
PMID:24293403
PMID:24389703
PMID:24631718
PMID:25057428
PMID:26852849
PMID:26986755
PMID:6166603
Patent:US2941995
Reaxys:15080
Wikipedia:6-APA
6-Aminopenicillanic acid
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
chebi_ontology
(+)-6-aminopenicillanic acid
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
0
216.057
216.25856
6-APA
6-Aminopenicillamine acid
6-Aminopenicillanate
6-Apa
6-Aps
6beta-aminopenicillanic acid
Aminopenicillanic acid
C8H12N2O3S
InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
NGHVIOIJCVXTGV-ALEPSDHESA-N
Penicin
Penin
Phenacyl 6-aminopenicillinate
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N)C(O)=O
CHEBI:16705
6-aminopenicillanic acid
Beilstein:15080
Beilstein
Beilstein:959078
Beilstein
CAS:551-16-6
ChemIDplus
CAS:551-16-6
KEGG COMPOUND
Gmelin:1876702
Gmelin
PMID:12569987
Europe PMC
PMID:1384868
Europe PMC
PMID:14687482
Europe PMC
PMID:1701026
Europe PMC
PMID:20970923
Europe PMC
PMID:21614893
Europe PMC
PMID:24293403
Europe PMC
PMID:24389703
Europe PMC
PMID:24631718
Europe PMC
PMID:25057428
Europe PMC
PMID:26852849
Europe PMC
PMID:26986755
Europe PMC
PMID:6166603
Europe PMC
Reaxys:15080
Reaxys
6-Aminopenicillanic acid
KEGG_COMPOUND
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
(+)-6-aminopenicillanic acid
ChEBI
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
0
ChEBI
216.057
KEGG_COMPOUND
216.25856
ChEBI
6-APA
ChEBI
6-Aminopenicillamine acid
ChemIDplus
6-Aminopenicillanate
KEGG_COMPOUND
6-Apa
ChemIDplus
6-Aps
ChemIDplus
6beta-aminopenicillanic acid
ChEBI
Aminopenicillanic acid
ChemIDplus
C8H12N2O3S
KEGG_COMPOUND
InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
ChEBI
NGHVIOIJCVXTGV-ALEPSDHESA-N
ChEBI
Penicin
ChemIDplus
Penin
ChemIDplus
Phenacyl 6-aminopenicillinate
ChemIDplus
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N)C(O)=O
ChEBI
The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6.
CHEBI:13733
CHEBI:22236
CHEBI:2470
CHEBI:40579
Beilstein:608603
CAS:73-24-5
DrugBank:DB00173
Drug_Central:89
Gmelin:3903
HMDB:HMDB00034
KEGG:C00147
KEGG:D00034
KNApSAcK:C00001490
MetaCyc:ADENINE
PDBeChem:ADE
PMID:17439666
PMID:8070089
Reaxys:608603
Wikipedia:Adenine
colombos:ADENINE
9H-purin-6-amine
ADENINE
Adenine
adenine
chebi_ontology
0
135.054
135.12690
6-Aminopurine
A
Ade
Adenin
C5H5N5
GFFGJBXGBJISGV-UHFFFAOYSA-N
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Nc1ncnc2[nH]cnc12
CHEBI:16708
adenine
Beilstein:608603
Beilstein
CAS:73-24-5
ChemIDplus
CAS:73-24-5
KEGG COMPOUND
CAS:73-24-5
NIST Chemistry WebBook
Drug_Central:89
DrugCentral
Gmelin:3903
Gmelin
PMID:17439666
Europe PMC
PMID:8070089
Europe PMC
Reaxys:608603
Reaxys
9H-purin-6-amine
IUPAC
ADENINE
PDBeChem
Adenine
KEGG_COMPOUND
adenine
UniProt
0
ChEBI
135.054
KEGG_COMPOUND
135.12690
ChEBI
6-Aminopurine
KEGG_COMPOUND
A
ChEBI
Ade
CBN
Adenin
NIST_Chemistry_WebBook
C5H5N5
KEGG_COMPOUND
GFFGJBXGBJISGV-UHFFFAOYSA-N
ChEBI
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
ChEBI
Nc1ncnc2[nH]cnc12
ChEBI
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.
CHEBI:13876
CHEBI:22703
CHEBI:3025
CHEBI:41187
Beilstein:969212
CAS:71-43-2
Gmelin:1671
HMDB:HMDB01505
KEGG:C01407
PDBeChem:BNZ
PMID:11684179
PMID:11993966
PMID:12857942
PMID:14677922
PMID:15468289
PMID:15935818
PMID:16161967
PMID:17373369
PMID:18072742
PMID:18407866
PMID:18409691
PMID:18836923
PMID:19228219
PMID:21325737
PMID:23088855
PMID:23222815
PMID:23534829
PMID:6353911
PMID:8124204
Reaxys:969212
UM-BBD_compID:c0142
Wikipedia:Benzene
BENZENE
Benzene
benzene
chebi_ontology
0
78.047
78.11184
Benzen
Benzine
Benzol
Bicarburet of hydrogen
C6H6
Coal naphtha
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
Mineral naphtha
Phene
Pyrobenzol
Pyrobenzole
UHOVQNZJYSORNB-UHFFFAOYSA-N
[6]annulene
benzole
c1ccccc1
cyclohexatriene
phenyl hydride
CHEBI:16716
benzene
Beilstein:969212
Beilstein
CAS:71-43-2
ChemIDplus
CAS:71-43-2
KEGG COMPOUND
CAS:71-43-2
NIST Chemistry WebBook
Gmelin:1671
Gmelin
PMID:11684179
Europe PMC
PMID:11993966
Europe PMC
PMID:12857942
Europe PMC
PMID:14677922
Europe PMC
PMID:15468289
Europe PMC
PMID:15935818
Europe PMC
PMID:16161967
Europe PMC
PMID:17373369
Europe PMC
PMID:18072742
Europe PMC
PMID:18407866
Europe PMC
PMID:18409691
Europe PMC
PMID:18836923
Europe PMC
PMID:19228219
Europe PMC
PMID:21325737
Europe PMC
PMID:23088855
Europe PMC
PMID:23222815
Europe PMC
PMID:23534829
Europe PMC
PMID:6353911
Europe PMC
PMID:8124204
Europe PMC
Reaxys:969212
Reaxys
UM-BBD_compID:c0142
UM-BBD
BENZENE
PDBeChem
Benzene
KEGG_COMPOUND
benzene
ChEBI
benzene
IUPAC
benzene
UniProt
0
ChEBI
78.047
KEGG_COMPOUND
78.11184
ChEBI
Benzen
IUPAC
Benzine
UM-BBD
Benzol
ChemIDplus
Bicarburet of hydrogen
ChemIDplus
C6H6
KEGG_COMPOUND
Coal naphtha
ChemIDplus
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
ChEBI
Mineral naphtha
ChemIDplus
Phene
ChemIDplus
Pyrobenzol
ChemIDplus
Pyrobenzole
ChemIDplus
UHOVQNZJYSORNB-UHFFFAOYSA-N
ChEBI
[6]annulene
NIST_Chemistry_WebBook
benzole
NIST_Chemistry_WebBook
c1ccccc1
ChEBI
cyclohexatriene
UM-BBD
phenyl hydride
UM-BBD
CHEBI:12909
CHEBI:13625
CHEBI:20906
CHEBI:4097
KEGG:C00405
D-alpha-amino acid
D-alpha-amino acids
chebi_ontology
0
74.024
74.05870
C2H4NO2R
D-Amino acid
D-alpha-amino acids
N[C@H]([*])C(O)=O
CHEBI:16733
D-alpha-amino acid
D-alpha-amino acid
ChEBI
D-alpha-amino acids
IUPAC
0
ChEBI
74.024
ChEBI
74.024
KEGG_COMPOUND
74.05870
ChEBI
C2H4NO2R
ChEBI
C2H4NO2R
KEGG_COMPOUND
D-Amino acid
KEGG_COMPOUND
D-alpha-amino acids
ChEBI
N[C@H]([*])C(O)=O
ChEBI
A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.
CHEBI:23094
CHEBI:3588
CHEBI:3593
Beilstein:3219887
CAS:474-25-9
DrugBank:DB06777
Drug_Central:4361
HMDB:HMDB00518
KEGG:C02528
KEGG:D00163
LINCS:LSM-5353
LIPID_MAPS_instance:LMST04010032
PDBeChem:JN3
PMID:11530998
PMID:16037564
PMID:24448653
PMID:24464484
Reaxys:3219887
Wikipedia:Chenodiol
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
Chenodeoxycholic acid
chebi_ontology
0
392.293
392.57200
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
7alpha-hydroxylithocholic acid
C24H40O4
CDCA
Chenix
Chenodiol
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
RUDATBOHQWOJDD-BSWAIDMHSA-N
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O
anthropodeoxycholic acid
anthropodesoxycholic acid
chenic acid
gallodesoxycholic acid
CHEBI:16755
chenodeoxycholic acid
Beilstein:3219887
Beilstein
CAS:474-25-9
ChemIDplus
CAS:474-25-9
KEGG COMPOUND
Drug_Central:4361
DrugCentral
LIPID_MAPS_instance:LMST04010032
LIPID MAPS
PMID:11530998
Europe PMC
PMID:16037564
Europe PMC
PMID:24448653
Europe PMC
PMID:24464484
Europe PMC
Reaxys:3219887
Reaxys
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
IUPAC
Chenodeoxycholic acid
KEGG_COMPOUND
0
ChEBI
392.293
KEGG_COMPOUND
392.57200
ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
KEGG_COMPOUND
7alpha-hydroxylithocholic acid
ChemIDplus
C24H40O4
KEGG_COMPOUND
CDCA
IUPHAR
Chenix
ChemIDplus
Chenodiol
KEGG_COMPOUND
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
ChEBI
RUDATBOHQWOJDD-BSWAIDMHSA-N
ChEBI
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O
ChEBI
anthropodeoxycholic acid
ChemIDplus
anthropodesoxycholic acid
ChemIDplus
chenic acid
ChemIDplus
gallodesoxycholic acid
ChemIDplus
A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase.
CHEBI:13222
CHEBI:22244
CHEBI:2342
CHEBI:40553
Beilstein:67722
CAS:20398-34-9
CAS:58-64-0
COMe:MOL000173
DrugBank:DB03431
Gmelin:88452
KEGG:C00008
KEGG:G11113
KNApSAcK:C00019353
PDBeChem:ADP
PMID:16295522
Reaxys:67722
ADP
adenosine 5'-(trihydrogen diphosphate)
chebi_ontology
0
427.029
427.20110
5'-adenylphosphoric acid
ADENOSINE-5'-DIPHOSPHATE
Adenosine 5'-diphosphate
C10H15N5O10P2
H3adp
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
XTWYTFMLZFPYCI-KQYNXXCUSA-N
CHEBI:16761
ADP
Beilstein:67722
Beilstein
CAS:20398-34-9
KEGG COMPOUND
CAS:58-64-0
ChemIDplus
CAS:58-64-0
KEGG COMPOUND
Gmelin:88452
Gmelin
PMID:16295522
Europe PMC
Reaxys:67722
Reaxys
ADP
KEGG_COMPOUND
adenosine 5'-(trihydrogen diphosphate)
IUPAC
0
ChEBI
427.029
KEGG_COMPOUND
427.20110
ChEBI
5'-adenylphosphoric acid
ChemIDplus
ADENOSINE-5'-DIPHOSPHATE
PDBeChem
Adenosine 5'-diphosphate
KEGG_COMPOUND
C10H15N5O10P2
KEGG_COMPOUND
H3adp
IUPAC
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
ChEBI
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI
XTWYTFMLZFPYCI-KQYNXXCUSA-N
ChEBI
CHEBI:13370
CHEBI:25199
CHEBI:25200
CHEBI:49640
CHEBI:5714
KEGG:C00703
PDBeChem:HG
UM-BBD_compID:c0096
mercury(2+)
mercury(2+) ion
mercury(II) cation
chebi_ontology
+2
200.59000
201.971
BQPIGGFYSBELGY-UHFFFAOYSA-N
Hg
Hg(2+)
Hg2+
InChI=1S/Hg/q+2
MERCURY (II) ION
Mercuric ion
[Hg++]
mercuric ion
mercury(2+) ion
mercury(II)
mercury(II) cation
CHEBI:16793
mercury(2+)
UM-BBD_compID:c0096
ChEBI
mercury(2+)
IUPAC
mercury(2+) ion
IUPAC
mercury(II) cation
IUPAC
+2
ChEBI
200.59000
ChEBI
201.971
KEGG_COMPOUND
BQPIGGFYSBELGY-UHFFFAOYSA-N
ChEBI
Hg
KEGG_COMPOUND
Hg(2+)
IUPAC
Hg(2+)
UniProt
Hg2+
KEGG_COMPOUND
InChI=1S/Hg/q+2
ChEBI
MERCURY (II) ION
PDBeChem
Mercuric ion
KEGG_COMPOUND
[Hg++]
ChEBI
mercuric ion
ChEBI
mercury(2+) ion
ChEBI
mercury(II)
ChEBI
mercury(II) cation
ChEBI
A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.
CHEBI:14590
CHEBI:25229
CHEBI:6829
Beilstein:636185
CAS:59-51-8
Gmelin:3117
KEGG:C01733
KEGG:D04983
PMID:16702333
PMID:22264337
PMID:2543976
Reaxys:636185
UM-BBD_compID:c0094
Wikipedia:Methionine
colombos:METHIONINE
Methionine
methionine
chebi_ontology
0
149.051
149.21238
2-Amino-4-(methylthio)butyric acid
2-amino-4-(methylsulfanyl)butanoic acid
2-amino-4-(methylthio)butanoic acid
C5H11NO2S
CSCCC(N)C(O)=O
DL-Methionine
FFEARJCKVFRZRR-UHFFFAOYSA-N
Hmet
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
M
Met
Methionin
Racemethionine
alpha-amino-gamma-methylmercaptobutyric acid
metionina
CHEBI:16811
methionine
Beilstein:636185
Beilstein
CAS:59-51-8
ChemIDplus
CAS:59-51-8
KEGG COMPOUND
CAS:59-51-8
NIST Chemistry WebBook
Gmelin:3117
Gmelin
PMID:16702333
Europe PMC
PMID:22264337
Europe PMC
PMID:2543976
Europe PMC
Reaxys:636185
Reaxys
UM-BBD_compID:c0094
UM-BBD
Methionine
KEGG_COMPOUND
methionine
ChEBI
methionine
IUPAC
0
ChEBI
149.051
KEGG_COMPOUND
149.21238
ChEBI
2-Amino-4-(methylthio)butyric acid
KEGG_COMPOUND
2-amino-4-(methylsulfanyl)butanoic acid
IUPAC
2-amino-4-(methylthio)butanoic acid
JCBN
C5H11NO2S
KEGG_COMPOUND
CSCCC(N)C(O)=O
ChEBI
DL-Methionine
KEGG_DRUG
FFEARJCKVFRZRR-UHFFFAOYSA-N
ChEBI
Hmet
IUPAC
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
ChEBI
M
ChEBI
Met
ChEBI
Methionin
ChEBI
Racemethionine
KEGG_DRUG
alpha-amino-gamma-methylmercaptobutyric acid
NIST_Chemistry_WebBook
metionina
ChEBI
The L-enantiomer of tryptophan.
CHEBI:13178
CHEBI:184633
CHEBI:21407
CHEBI:45988
CHEBI:46086
CHEBI:46125
CHEBI:46225
CHEBI:6310
Beilstein:86197
CAS:73-22-3
DrugBank:DB00150
Drug_Central:2780
ECMDB:ECMDB00929
Gmelin:51434
HMDB:HMDB00929
KEGG:C00078
KEGG:D00020
KNApSAcK:C00001396
MetaCyc:TRP
PDBeChem:TRP
PMID:11395471
PMID:11750787
PMID:11888576
PMID:12766158
PMID:12830226
PMID:12871129
PMID:15206750
PMID:16740930
PMID:16934873
PMID:17127472
PMID:17177562
PMID:17430113
PMID:17585690
PMID:17690425
PMID:17826001
PMID:18234569
PMID:18419734
PMID:18949702
PMID:19896323
PMID:21856896
PMID:22071091
PMID:22162421
PMID:22299628
PMID:22386992
PMID:22402312
PMID:22415302
PMID:22415306
PMID:2917974
Reaxys:86197
Wikipedia:Tryptophan
YMDB:YMDB00126
L-Tryptophan
L-tryptophan
chebi_ontology
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
(S)-alpha-Amino-beta-(3-indolyl)-propionic acid
(S)-alpha-amino-1H-indole-3-propanoic acid
(S)-tryptophan
0
204.090
204.22526
C11H12N2O2
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
L-(-)-tryptophan
L-beta-3-indolylalanine
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
QIVBCDIJIAJPQS-VIFPVBQESA-N
TRYPTOPHAN
Trp
Tryptophan
W
tryptophan
CHEBI:16828
L-tryptophan
Beilstein:86197
Beilstein
CAS:73-22-3
ChemIDplus
CAS:73-22-3
KEGG COMPOUND
CAS:73-22-3
NIST Chemistry WebBook
Drug_Central:2780
DrugCentral
Gmelin:51434
Gmelin
PMID:11395471
Europe PMC
PMID:11750787
Europe PMC
PMID:11888576
Europe PMC
PMID:12766158
Europe PMC
PMID:12830226
Europe PMC
PMID:12871129
Europe PMC
PMID:15206750
Europe PMC
PMID:16740930
Europe PMC
PMID:16934873
Europe PMC
PMID:17127472
Europe PMC
PMID:17177562
Europe PMC
PMID:17430113
Europe PMC
PMID:17585690
Europe PMC
PMID:17690425
Europe PMC
PMID:17826001
Europe PMC
PMID:18234569
Europe PMC
PMID:18419734
Europe PMC
PMID:18949702
Europe PMC
PMID:19896323
Europe PMC
PMID:21856896
Europe PMC
PMID:22071091
Europe PMC
PMID:22162421
Europe PMC
PMID:22299628
Europe PMC
PMID:22386992
Europe PMC
PMID:22402312
Europe PMC
PMID:22415302
Europe PMC
PMID:22415306
Europe PMC
PMID:2917974
Europe PMC
Reaxys:86197
Reaxys
L-Tryptophan
KEGG_COMPOUND
L-tryptophan
ChEBI
L-tryptophan
IUPAC
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
IUPAC
(S)-alpha-Amino-beta-(3-indolyl)-propionic acid
KEGG_COMPOUND
(S)-alpha-amino-1H-indole-3-propanoic acid
NIST_Chemistry_WebBook
(S)-tryptophan
NIST_Chemistry_WebBook
0
ChEBI
204.090
KEGG_COMPOUND
204.22526
ChEBI
C11H12N2O2
KEGG_COMPOUND
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
ChEBI
L-(-)-tryptophan
NIST_Chemistry_WebBook
L-beta-3-indolylalanine
NIST_Chemistry_WebBook
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
ChEBI
QIVBCDIJIAJPQS-VIFPVBQESA-N
ChEBI
TRYPTOPHAN
PDBeChem
Trp
ChEBI
Tryptophan
KEGG_COMPOUND
W
ChEBI
tryptophan
KEGG_DRUG
A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine.
CHEBI:12402
CHEBI:14327
CHEBI:24334
CHEBI:42873
CHEBI:43049
CHEBI:5437
CAS:70-18-8
DrugBank:DB00143
Drug_Central:1312
HMDB:HMDB00125
KEGG:C00051
KEGG:D00014
KNApSAcK:C00001518
MetaCyc:GLUTATHIONE
PDBeChem:GSH
PMID:17439666
PMID:4200890
PMID:4745654
Reaxys:1729812
Wikipedia:Glutathione
Glutathione
L-gamma-glutamyl-L-cysteinylglycine
chebi_ontology
0
307.084
307.32300
5-L-Glutamyl-L-cysteinylglycine
C10H17N3O6S
GSH
Glutathione-SH
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
RWSXRVCMGQZWBV-WDSKDSINSA-N
Reduced glutathione
gamma-L-Glutamyl-L-cysteinyl-glycine
CHEBI:16856
glutathione
CAS:70-18-8
ChemIDplus
CAS:70-18-8
KEGG COMPOUND
Drug_Central:1312
DrugCentral
PMID:17439666
Europe PMC
PMID:4200890
Europe PMC
PMID:4745654
Europe PMC
Reaxys:1729812
Reaxys
Glutathione
KEGG_COMPOUND
L-gamma-glutamyl-L-cysteinylglycine
IUPAC
0
ChEBI
307.084
KEGG_COMPOUND
307.32300
ChEBI
5-L-Glutamyl-L-cysteinylglycine
KEGG_COMPOUND
C10H17N3O6S
KEGG_COMPOUND
GSH
KEGG_COMPOUND
Glutathione-SH
HMDB
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
ChEBI
N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine
KEGG_COMPOUND
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
ChEBI
RWSXRVCMGQZWBV-WDSKDSINSA-N
ChEBI
Reduced glutathione
KEGG_COMPOUND
gamma-L-Glutamyl-L-cysteinyl-glycine
KEGG_COMPOUND
An optically active form of threonine having L-configuration.
CHEBI:13175
CHEBI:21403
CHEBI:42083
CHEBI:45843
CHEBI:45983
CHEBI:6308
Beilstein:1721646
CAS:72-19-5
DrugBank:DB00156
Drug_Central:4254
ECMDB:ECMDB00167
Gmelin:82510
HMDB:HMDB00167
KEGG:C00188
KEGG:D00041
KNApSAcK:C00001394
PDBeChem:THR
PMID:11964235
PMID:12523390
PMID:16659349
PMID:17379183
PMID:22289691
PMID:22342587
PMID:22513921
PMID:22770225
PMID:24671569
Reaxys:1721646
UM-BBD_compID:c0413
Wikipedia:Threonine
YMDB:YMDB00214
L-Threonine
L-threonine
chebi_ontology
(2S)-threonine
(2S,3R)-(-)-Threonine
(2S,3R)-2-amino-3-hydroxybutanoic acid
0
119.058
119.11920
2-Amino-3-hydroxybutyric acid
AYFVYJQAPQTCCC-GBXIJSLDSA-N
C4H9NO3
C[C@@H](O)[C@H](N)C(O)=O
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
L-(-)-Threonine
L-2-Amino-3-hydroxybutyric acid
L-Threonin
L-alpha-amino-beta-hydroxybutyric acid
T
THREONINE
Thr
CHEBI:16857
L-threonine
Beilstein:1721646
Beilstein
CAS:72-19-5
ChemIDplus
CAS:72-19-5
KEGG COMPOUND
CAS:72-19-5
NIST Chemistry WebBook
Drug_Central:4254
DrugCentral
Gmelin:82510
Gmelin
PMID:11964235
Europe PMC
PMID:12523390
Europe PMC
PMID:16659349
Europe PMC
PMID:17379183
Europe PMC
PMID:22289691
Europe PMC
PMID:22342587
Europe PMC
PMID:22513921
Europe PMC
PMID:22770225
Europe PMC
PMID:24671569
Europe PMC
Reaxys:1721646
Reaxys
UM-BBD_compID:c0413
UM-BBD
L-Threonine
KEGG_COMPOUND
L-threonine
IUPAC
(2S)-threonine
ChemIDplus
(2S,3R)-(-)-Threonine
HMDB
(2S,3R)-2-amino-3-hydroxybutanoic acid
IUPAC
0
ChEBI
119.058
KEGG_COMPOUND
119.11920
ChEBI
2-Amino-3-hydroxybutyric acid
KEGG_COMPOUND
AYFVYJQAPQTCCC-GBXIJSLDSA-N
ChEBI
C4H9NO3
KEGG_COMPOUND
C[C@@H](O)[C@H](N)C(O)=O
ChEBI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
ChEBI
L-(-)-Threonine
DrugBank
L-2-Amino-3-hydroxybutyric acid
HMDB
L-Threonin
ChEBI
L-alpha-amino-beta-hydroxybutyric acid
NIST_Chemistry_WebBook
T
ChEBI
THREONINE
PDBeChem
Thr
ChEBI
CHEBI:13401
CHEBI:13662
CHEBI:14675
CHEBI:25606
CHEBI:7428
CHEBI:7652
KEGG:C00454
Nucleoside diphosphate
chebi_ontology
0
292.983
293.08240
C5H11O10P2R
NDP
O[C@H]1[C@H]([*])O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H]1O
nucleoside diphosphates
CHEBI:16862
nucleoside diphosphate
Nucleoside diphosphate
KEGG_COMPOUND
0
ChEBI
292.983
ChEBI
293.08240
ChEBI
C5H11O10P2R
ChEBI
NDP
KEGG_COMPOUND
O[C@H]1[C@H]([*])O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H]1O
ChEBI
nucleoside diphosphates
ChEBI
An optically active form of methionine having D-configuration.
CHEBI:13005
CHEBI:21065
CHEBI:4215
CHEBI:44071
Beilstein:1722293
CAS:348-67-4
DrugBank:DB02893
ECMDB:ECMDB21203
Gmelin:26934
KEGG:C00855
MetaCyc:CPD-218
PDBeChem:MED
PMID:15375647
PMID:20431016
PMID:20872028
PMID:21480759
PMID:21750343
PMID:21924333
PMID:22192214
PMID:22304623
PMID:318639
Reaxys:1722293
YMDB:YMDB00816
D-METHIONINE
D-Methionine
D-methionine
chebi_ontology
(2R)-2-amino-4-(methylsulfanyl)butanoic acid
(R)-2-amino-4-(methylthio)butanoic acid
(R)-methionine
0
149.051
149.21238
C5H11NO2S
CSCC[C@@H](N)C(O)=O
D-2-Amino-4-(methylthio)butyric acid
D-Methionin
FFEARJCKVFRZRR-SCSAIBSYSA-N
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
MED
CHEBI:16867
D-methionine
Beilstein:1722293
Beilstein
CAS:348-67-4
ChemIDplus
CAS:348-67-4
KEGG COMPOUND
CAS:348-67-4
NIST Chemistry WebBook
Gmelin:26934
Gmelin
PMID:15375647
Europe PMC
PMID:20431016
Europe PMC
PMID:20872028
Europe PMC
PMID:21480759
Europe PMC
PMID:21750343
Europe PMC
PMID:21924333
Europe PMC
PMID:22192214
Europe PMC
PMID:22304623
Europe PMC
PMID:318639
Europe PMC
Reaxys:1722293
Reaxys
D-METHIONINE
PDBeChem
D-Methionine
KEGG_COMPOUND
D-methionine
IUPAC
(2R)-2-amino-4-(methylsulfanyl)butanoic acid
IUPAC
(R)-2-amino-4-(methylthio)butanoic acid
JCBN
(R)-methionine
ChemIDplus
0
ChEBI
149.051
KEGG_COMPOUND
149.21238
ChEBI
C5H11NO2S
KEGG_COMPOUND
CSCC[C@@H](N)C(O)=O
ChEBI
D-2-Amino-4-(methylthio)butyric acid
KEGG_COMPOUND
D-Methionin
ChEBI
FFEARJCKVFRZRR-SCSAIBSYSA-N
ChEBI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
ChEBI
MED
PDBeChem
CHEBI:10649
CHEBI:12849
CHEBI:35141
CHEBI:35772
CAS:27082-31-1
KEGG:C03189
glycerol dihydrogen phosphate
chebi_ontology
C3H9O6P
glycerophosphoric acid
sn-Glyceryl phosphate
CHEBI:16890
glycerol monophosphate
CAS:27082-31-1
ChemIDplus
glycerol dihydrogen phosphate
IUPAC
C3H9O6P
KEGG_COMPOUND
glycerophosphoric acid
ChemIDplus
sn-Glyceryl phosphate
KEGG_COMPOUND
A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom.
CHEBI:24421
CHEBI:42767
CHEBI:5509
Beilstein:741891
CAS:298-12-4
DrugBank:DB04343
Gmelin:25752
HMDB:HMDB00119
KEGG:C00048
KNApSAcK:C00001186
MetaCyc:GLYOX
PDBeChem:GLV
PMID:11479160
PMID:16396466
PMID:22580421
PMID:23790896
Reaxys:741891
Wikipedia:Glyoxylic_acid
GLYOXYLIC ACID
Glyoxylic acid
oxoacetic acid
chebi_ontology
0
74.000
74.03548
C2H2O3
Glyoxalate
Glyoxalsaeure
Glyoxylate
Glyoxylsaeure
HHLFWLYXYJOTON-UHFFFAOYSA-N
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
[H]C(=O)C(O)=O
alpha-ketoacetic acid
formylformic acid
oxalaldehydic acid
oxoethanoic acid
CHEBI:16891
glyoxylic acid
Beilstein:741891
Beilstein
CAS:298-12-4
ChemIDplus
CAS:298-12-4
KEGG COMPOUND
CAS:298-12-4
NIST Chemistry WebBook
Gmelin:25752
Gmelin
PMID:11479160
Europe PMC
PMID:16396466
Europe PMC
PMID:22580421
Europe PMC
PMID:23790896
Europe PMC
Reaxys:741891
Reaxys
GLYOXYLIC ACID
PDBeChem
Glyoxylic acid
KEGG_COMPOUND
oxoacetic acid
IUPAC
0
ChEBI
74.000
KEGG_COMPOUND
74.03548
ChEBI
C2H2O3
KEGG_COMPOUND
Glyoxalate
KEGG_COMPOUND
Glyoxalsaeure
ChEBI
Glyoxylate
KEGG_COMPOUND
Glyoxylsaeure
ChEBI
HHLFWLYXYJOTON-UHFFFAOYSA-N
ChEBI
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
ChEBI
[H]C(=O)C(O)=O
ChEBI
alpha-ketoacetic acid
NIST_Chemistry_WebBook
formylformic acid
NIST_Chemistry_WebBook
oxalaldehydic acid
ChemIDplus
oxoethanoic acid
ChemIDplus
The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.
CHEBI:14982
CHEBI:44847
CHEBI:8675
Beilstein:103894
CAS:289-95-2
Gmelin:49324
KEGG:C00396
PDBeChem:P1R
PMID:8070089
PYRIMIDINE
Pyrimidine
pyrimidine
chebi_ontology
0
1,3-Diazin
1,3-Diazine
80.037
80.08804
C4H4N2
CZPWVGJYEJSRLH-UHFFFAOYSA-N
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
Metadiazine
Pyrimidin
Pyrimidine base
c1cncnc1
m-diazine
CHEBI:16898
pyrimidine
Beilstein:103894
Beilstein
CAS:289-95-2
ChemIDplus
CAS:289-95-2
KEGG COMPOUND
CAS:289-95-2
NIST Chemistry WebBook
Gmelin:49324
Gmelin
PMID:8070089
Europe PMC
PYRIMIDINE
PDBeChem
Pyrimidine
KEGG_COMPOUND
pyrimidine
IUPAC
pyrimidine
UniProt
0
ChEBI
1,3-Diazin
ChEBI
1,3-Diazine
KEGG_COMPOUND
80.037
KEGG_COMPOUND
80.08804
ChEBI
C4H4N2
KEGG_COMPOUND
CZPWVGJYEJSRLH-UHFFFAOYSA-N
ChEBI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
ChEBI
Metadiazine
KEGG_COMPOUND
Pyrimidin
ChEBI
Pyrimidine base
KEGG_COMPOUND
c1cncnc1
ChEBI
m-diazine
NIST_Chemistry_WebBook
A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6.
CHEBI:12924
CHEBI:4120
CAS:488-69-7
HMDB:HMDB01058
KEGG:C00354
MetaCyc:FRUCTOSE-16-DIPHOSPHATE
PMID:13150027
PMID:4610358
Reaxys:1729954
D-fructose 1,6-bis(dihydrogen phosphate)
chebi_ontology
0
1,6-di-O-phosphono-D-fructose
339.996
340.11568
C6H14O12P2
D-Fructose 1,6-bisphosphate
D-fructose-1,6-diphosphate
Harden-Young ester
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
XPYBSIWDXQFNMH-UYFOZJQFSA-N
[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O
fructose-1,6-diphosphate
CHEBI:16905
keto-D-fructose 1,6-bisphosphate
CAS:488-69-7
KEGG COMPOUND
PMID:13150027
Europe PMC
PMID:4610358
Europe PMC
Reaxys:1729954
Reaxys
D-fructose 1,6-bis(dihydrogen phosphate)
IUPAC
0
ChEBI
1,6-di-O-phosphono-D-fructose
ChEBI
339.996
KEGG_COMPOUND
340.11568
ChEBI
C6H14O12P2
KEGG_COMPOUND
D-Fructose 1,6-bisphosphate
KEGG_COMPOUND
D-fructose-1,6-diphosphate
ChEBI
Harden-Young ester
HMDB
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
ChEBI
XPYBSIWDXQFNMH-UYFOZJQFSA-N
ChEBI
[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O
ChEBI
fructose-1,6-diphosphate
ChEBI
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.
CHEBI:26597
CHEBI:45521
CHEBI:9006
Beilstein:774890
CAS:69-72-7
DrugBank:DB00936
Drug_Central:2416
Gmelin:3418
HMDB:HMDB01895
KEGG:C00805
KEGG:D00097
KNApSAcK:C00000206
LINCS:LSM-4763
MetaCyc:CPD-110
PDBeChem:SAL
PMID:11016405
PMID:12865403
PMID:1650428
PMID:19400653
PMID:19816125
PMID:22770225
PMID:3425858
Reaxys:774890
Wikipedia:Salicylic_Acid
2-hydroxybenzoic acid
Salicylic acid
chebi_ontology
0
138.032
138.12070
2-HYDROXYBENZOIC ACID
2-carboxyphenol
C7H6O3
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
OC(=O)c1ccccc1O
YGSDEFSMJLZEOE-UHFFFAOYSA-N
o-Hydroxybenzoic acid
o-carboxyphenol
o-hydroxybenzoic acid
CHEBI:16914
salicylic acid
Beilstein:774890
Beilstein
CAS:69-72-7
ChemIDplus
CAS:69-72-7
KEGG COMPOUND
CAS:69-72-7
NIST Chemistry WebBook
Drug_Central:2416
DrugCentral
Gmelin:3418
Gmelin
PMID:11016405
Europe PMC
PMID:12865403
Europe PMC
PMID:1650428
Europe PMC
PMID:19400653
Europe PMC
PMID:19816125
Europe PMC
PMID:22770225
Europe PMC
PMID:3425858
Europe PMC
Reaxys:774890
Reaxys
2-hydroxybenzoic acid
IUPAC
Salicylic acid
KEGG_COMPOUND
0
ChEBI
138.032
ChEBI
138.12070
ChEBI
2-HYDROXYBENZOIC ACID
PDBeChem
2-carboxyphenol
NIST_Chemistry_WebBook
C7H6O3
ChEBI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
ChEBI
OC(=O)c1ccccc1O
ChEBI
YGSDEFSMJLZEOE-UHFFFAOYSA-N
ChEBI
o-Hydroxybenzoic acid
KEGG_COMPOUND
o-carboxyphenol
NIST_Chemistry_WebBook
o-hydroxybenzoic acid
NIST_Chemistry_WebBook
A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid.
CHEBI:13999
CHEBI:23321
CHEBI:42563
Beilstein:1884707
CAS:126-44-3
Gmelin:4239
KEGG:C00158
PDBeChem:FLC
Reaxys:1884707
2-hydroxypropane-1,2,3-tricarboxylate
chebi_ontology
-3
189.004
189.09970
2-hydroxy-1,2,3-propanetricarboxylate
2-hydroxy-1,2,3-propanetricarboxylate(3-)
2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-)
2-hydroxytricarballylate
C6H5O7
CITRATE ANION
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
KRKNYBCHXYNGOX-UHFFFAOYSA-K
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
cit
cit(3-)
citrate
CHEBI:16947
citrate(3-)
Beilstein:1884707
Beilstein
CAS:126-44-3
ChemIDplus
Gmelin:4239
Gmelin
KEGG:C00158
ChEBI
Reaxys:1884707
Reaxys
2-hydroxypropane-1,2,3-tricarboxylate
IUPAC
-3
ChEBI
189.004
ChEBI
189.09970
ChEBI
2-hydroxy-1,2,3-propanetricarboxylate
ChEBI
2-hydroxy-1,2,3-propanetricarboxylate(3-)
ChemIDplus
2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-)
ChemIDplus
2-hydroxytricarballylate
ChEBI
C6H5O7
ChEBI
CITRATE ANION
PDBeChem
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
ChEBI
KRKNYBCHXYNGOX-UHFFFAOYSA-K
ChEBI
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
ChEBI
cit
IUPAC
cit(3-)
ChEBI
citrate
UniProt
A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position.
CHEBI:10343
CHEBI:12389
CHEBI:22821
CHEBI:41050
Beilstein:906793
CAS:107-95-9
DrugBank:DB03107
Gmelin:49614
HMDB:HMDB00056
KEGG:C00099
KEGG:D07561
KNApSAcK:C00001333
MetaCyc:B-ALANINE
PDBeChem:BAL
PMID:11139233
PMID:11850512
PMID:12107759
PMID:12887142
PMID:14363188
PMID:16934791
PMID:18528519
PMID:18613640
PMID:19239140
PMID:19955842
PMID:20199122
PMID:20386120
PMID:20479615
PMID:20994958
PMID:22735334
Reaxys:906793
Wikipedia:Beta-Alanine
3-aminopropanoic acid
BETA-ALANINE
beta-Alanine
beta-alanine
chebi_ontology
0
3-Aminopropionic acid
3-aminopropanoic acid
89.048
89.09322
C3H7NO2
H-beta-Ala-OH
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
NCCC(O)=O
UCMIRNVEIXFBKS-UHFFFAOYSA-N
bAla
beta-aminopropionic acid
omega-aminopropionic acid
CHEBI:16958
beta-alanine
Beilstein:906793
Beilstein
CAS:107-95-9
ChemIDplus
CAS:107-95-9
KEGG COMPOUND
CAS:107-95-9
NIST Chemistry WebBook
Gmelin:49614
Gmelin
PMID:11139233
Europe PMC
PMID:11850512
Europe PMC
PMID:12107759
Europe PMC
PMID:12887142
Europe PMC
PMID:14363188
Europe PMC
PMID:16934791
Europe PMC
PMID:18528519
Europe PMC
PMID:18613640
Europe PMC
PMID:19239140
Europe PMC
PMID:19955842
Europe PMC
PMID:20199122
Europe PMC
PMID:20386120
Europe PMC
PMID:20479615
Europe PMC
PMID:20994958
Europe PMC
PMID:22735334
Europe PMC
Reaxys:906793
Reaxys
3-aminopropanoic acid
IUPAC
BETA-ALANINE
PDBeChem
beta-Alanine
KEGG_COMPOUND
beta-alanine
IUPAC
0
ChEBI
3-Aminopropionic acid
KEGG_COMPOUND
3-aminopropanoic acid
ChEBI
89.048
KEGG_COMPOUND
89.09322
ChEBI
C3H7NO2
KEGG_COMPOUND
H-beta-Ala-OH
ChEBI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
ChEBI
NCCC(O)=O
ChEBI
UCMIRNVEIXFBKS-UHFFFAOYSA-N
ChEBI
bAla
ChEBI
beta-aminopropionic acid
NIST_Chemistry_WebBook
omega-aminopropionic acid
ChEBI
CHEBI:14426
CHEBI:24752
CHEBI:43202
CHEBI:5821
Beilstein:6755837
CAS:31282-04-9
KEGG:C01925
PDBeChem:HYG
colombos:HYGROMYCIN_B
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside
HYGROMYCIN B
Hygromycin B
chebi_ontology
0
527.233
527.52010
Antibiotic A-396-II
C20H37N3O13
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O
GRRNUXAQVGOGFE-NZSRVPFOSA-N
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine
CHEBI:16976
hygromycin B
Beilstein:6755837
Beilstein
CAS:31282-04-9
ChemIDplus
CAS:31282-04-9
KEGG COMPOUND
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside
IUPAC
HYGROMYCIN B
PDBeChem
Hygromycin B
KEGG_COMPOUND
0
ChEBI
527.233
KEGG_COMPOUND
527.52010
ChEBI
Antibiotic A-396-II
KEGG_COMPOUND
C20H37N3O13
KEGG_COMPOUND
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O
ChEBI
GRRNUXAQVGOGFE-NZSRVPFOSA-N
ChEBI
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
ChEBI
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine
ChEBI
The L-enantiomer of alanine.
CHEBI:13069
CHEBI:21216
CHEBI:40734
CHEBI:40735
CHEBI:46308
CHEBI:6171
Beilstein:1720248
CAS:56-41-7
DrugBank:DB00160
Drug_Central:4255
ECMDB:ECMDB00161
Gmelin:49628
HMDB:HMDB00161
KEGG:C00041
KEGG:D00012
KNApSAcK:C00001332
MetaCyc:ALPHA-ALANINE
PDBeChem:ALA_LFOH
PMID:18235971
PMID:22735334
PMID:3275662
Reaxys:1720248
Wikipedia:Alanine
YMDB:YMDB00154
L-Alanine
L-alanine
chebi_ontology
(2S)-2-aminopropanoic acid
(S)-2-aminopropanoic acid
(S)-alanine
0
89.048
89.09322
A
ALANINE
Ala
C3H7NO2
C[C@H](N)C(O)=O
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
L-2-Aminopropionic acid
L-Alanin
L-alpha-Alanine
L-alpha-alanine
QNAYBMKLOCPYGJ-REOHCLBHSA-N
CHEBI:16977
L-alanine
Beilstein:1720248
Beilstein
CAS:56-41-7
ChemIDplus
CAS:56-41-7
KEGG COMPOUND
CAS:56-41-7
NIST Chemistry WebBook
Drug_Central:4255
DrugCentral
Gmelin:49628
Gmelin
PMID:18235971
Europe PMC
PMID:22735334
Europe PMC
PMID:3275662
Europe PMC
Reaxys:1720248
Reaxys
L-Alanine
KEGG_COMPOUND
L-alanine
IUPAC
(2S)-2-aminopropanoic acid
IUPAC
(S)-2-aminopropanoic acid
ChEBI
(S)-alanine
NIST_Chemistry_WebBook
0
ChEBI
89.048
KEGG_COMPOUND
89.09322
ChEBI
A
ChEBI
ALANINE
PDBeChem
Ala
NIST_Chemistry_WebBook
C3H7NO2
KEGG_COMPOUND
C[C@H](N)C(O)=O
ChEBI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
ChEBI
L-2-Aminopropionic acid
KEGG_COMPOUND
L-Alanin
ChEBI
L-alpha-Alanine
KEGG_COMPOUND
L-alpha-alanine
NIST_Chemistry_WebBook
QNAYBMKLOCPYGJ-REOHCLBHSA-N
ChEBI
A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde.
CHEBI:13011
CHEBI:21078
DrugBank:DB01936
PMID:24404872
PMID:24752650
D-ribo-pentose
D-ribose
chebi_ontology
0
150.12990
C5H10O5
D-Rib
CHEBI:16988
D-ribose
PMID:24404872
Europe PMC
PMID:24752650
Europe PMC
D-ribo-pentose
IUPAC
D-ribose
IUPAC
0
ChEBI
150.12990
ChEBI
C5H10O5
ChEBI
D-Rib
JCBN
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.
CHEBI:14899
CHEBI:8469
CAS:57-55-6
DrugBank:DB01839
Drug_Central:4024
HMDB:HMDB01881
KEGG:C00583
KEGG:D00078
KNApSAcK:C00007410
LINCS:LSM-36856
PMID:15665701
PMID:16078503
PMID:18346395
PMID:18845115
PMID:21616561
Reaxys:1340498
Wikipedia:Propylene_glycol
Propane-1,2-diol
propane-1,2-diol
chebi_ontology
0
1,2-Propanediol
1,2-Propylenglykol
1,2-dihydroxypropane
2-hydroxypropanol
76.052
76.09442
C3H8O2
CC(O)CO
CH3CH(OH)CH2OH
DNIAPMSPPWPWGF-UHFFFAOYSA-N
HOCH2CH(OH)CH3
HOCH2CH(OH)Me
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
MeCH(OH)CH2OH
PPD
Propylene glycol
alpha-propyleneglycol
isopropylene glycol
methyl glycol
methylethyl glycol
methylethylene glycol
monopropylene glycol
CHEBI:16997
propane-1,2-diol
CAS:57-55-6
ChemIDplus
CAS:57-55-6
KEGG COMPOUND
CAS:57-55-6
NIST Chemistry WebBook
Drug_Central:4024
DrugCentral
PMID:15665701
Europe PMC
PMID:16078503
Europe PMC
PMID:18346395
Europe PMC
PMID:18845115
Europe PMC
PMID:21616561
Europe PMC
Reaxys:1340498
Reaxys
Propane-1,2-diol
KEGG_COMPOUND
propane-1,2-diol
IUPAC
propane-1,2-diol
UniProt
0
ChEBI
1,2-Propanediol
KEGG_COMPOUND
1,2-Propylenglykol
ChemIDplus
1,2-dihydroxypropane
ChemIDplus
2-hydroxypropanol
ChemIDplus
76.052
KEGG_COMPOUND
76.09442
ChEBI
C3H8O2
KEGG_COMPOUND
CC(O)CO
ChEBI
CH3CH(OH)CH2OH
ChEBI
DNIAPMSPPWPWGF-UHFFFAOYSA-N
ChEBI
HOCH2CH(OH)CH3
ChEBI
HOCH2CH(OH)Me
ChEBI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
ChEBI
MeCH(OH)CH2OH
ChEBI
PPD
ChEBI
Propylene glycol
KEGG_COMPOUND
alpha-propyleneglycol
ChemIDplus
isopropylene glycol
ChemIDplus
methyl glycol
ChEBI
methylethyl glycol
ChemIDplus
methylethylene glycol
ChemIDplus
monopropylene glycol
ChemIDplus
An N-acylneuraminic acid where the N-acyl group is specified as acetyl.
CHEBI:21620
CHEBI:7214
Beilstein:2951361
CAS:131-48-6
KEGG:C00270
KNApSAcK:C00019584
PMID:14960498
PMID:16209099
PMID:16624269
PMID:18487279
PMID:19329108
PMID:7508418
Reaxys:1398688
Wikipedia:N-acetylneuraminic_acid
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
N-Acetylneuraminic acid
chebi_ontology
0
309.106
309.26990
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid
Aceneuramic acid
C11H19NO9
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1
Neu5Ac
NeuAc
O-sialic acid
SQVRNKJHWKZAKO-LUWBGTNYSA-N
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
aceneuramic acid
acide aceneuramique
acidium aceneuramicum
acido aceneuramico
CHEBI:17012
N-acetylneuraminic acid
Beilstein:2951361
Beilstein
CAS:131-48-6
ChemIDplus
CAS:131-48-6
KEGG COMPOUND
PMID:14960498
Europe PMC
PMID:16209099
Europe PMC
PMID:16624269
Europe PMC
PMID:18487279
Europe PMC
PMID:19329108
Europe PMC
PMID:7508418
Europe PMC
Reaxys:1398688
Reaxys
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
IUPAC
N-Acetylneuraminic acid
KEGG_COMPOUND
0
ChEBI
309.106
KEGG_COMPOUND
309.26990
ChEBI
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid
KEGG_COMPOUND
Aceneuramic acid
ChemIDplus
C11H19NO9
KEGG_COMPOUND
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1
ChEBI
Neu5Ac
KEGG_COMPOUND
NeuAc
ChEBI
O-sialic acid
MetaCyc
SQVRNKJHWKZAKO-LUWBGTNYSA-N
ChEBI
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
ChEBI
aceneuramic acid
ChemIDplus
acide aceneuramique
ChemIDplus
acidium aceneuramicum
ChemIDplus
acido aceneuramico
ChemIDplus
A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species.
CHEBI:14896
CHEBI:18798
CHEBI:26269
CHEBI:439
CHEBI:45786
CHEBI:8453
Beilstein:1915950
CAS:57-83-0
DrugBank:DB00396
Drug_Central:2279
Gmelin:708590
HMDB:HMDB01830
KEGG:C00410
KEGG:D00066
MetaCyc:PROGESTERONE
PDBeChem:STR
PMID:10438974
PMID:9506942
Reaxys:1915950
Wikipedia:Progesterone
colombos:PROGESTERONE
PROGESTERONE
Progesterone
pregn-4-ene-3,20-dione
progesterone
chebi_ontology
(S)-4-Pregnene-3,20-dione
(S)-Pregn-4-en-3,20-dione
(S)-Progesterone
0
17alpha-progesterone
314.225
314.46170
4-Pregnene-3,20-dione
Agolutin
Akrolutin
C21H30O2
Crinone
Delta(4)-pregnene-3,20-dione
Gelbkoerperhormon
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
Progesteron
RJKFOVLPORLFTN-LEKSSAKUSA-N
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
corpus luteum hormone
luteohormone
CHEBI:17026
progesterone
Beilstein:1915950
Beilstein
CAS:57-83-0
ChemIDplus
CAS:57-83-0
KEGG COMPOUND
CAS:57-83-0
NIST Chemistry WebBook
Drug_Central:2279
DrugCentral
Gmelin:708590
Gmelin
PMID:10438974
Europe PMC
PMID:9506942
Europe PMC
Reaxys:1915950
Reaxys
PROGESTERONE
PDBeChem
Progesterone
KEGG_COMPOUND
pregn-4-ene-3,20-dione
IUPAC
progesterone
UniProt
(S)-4-Pregnene-3,20-dione
KEGG_COMPOUND
(S)-Pregn-4-en-3,20-dione
KEGG_COMPOUND
(S)-Progesterone
KEGG_COMPOUND
0
ChEBI
17alpha-progesterone
NIST_Chemistry_WebBook
314.225
KEGG_COMPOUND
314.46170
ChEBI
4-Pregnene-3,20-dione
KEGG_COMPOUND
Agolutin
NIST_Chemistry_WebBook
Akrolutin
ChEBI
C21H30O2
KEGG_COMPOUND
Crinone
ChemIDplus
Delta(4)-pregnene-3,20-dione
ChEBI
Gelbkoerperhormon
ChEBI
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
ChEBI
Progesteron
ChEBI
RJKFOVLPORLFTN-LEKSSAKUSA-N
ChEBI
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
ChEBI
corpus luteum hormone
ChemIDplus
luteohormone
ChemIDplus
The 2-dehydro-3-deoxy derivative of D-gluconic acid.
CHEBI:1059
CHEBI:11550
CHEBI:19530
CAS:17510-99-5
KEGG:C00204
PDBeChem:KDG
Reaxys:1724592
3-deoxy-D-erythro-hex-2-ulosonic acid
chebi_ontology
0
178.048
178.14000
2-Dehydro-3-deoxy-D-gluconate
2-Keto-3-deoxy-D-gluconate
2-dehydro-3-deoxy-D-gluconate
3-Deoxy-2-oxo-D-gluconate
3-deoxy-D-erythro-2-hexulosonic acid
C6H10O6
InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
WPAMZTWLKIDIOP-WVZVXSGGSA-N
CHEBI:17032
2-dehydro-3-deoxy-D-gluconic acid
CAS:17510-99-5
ChemIDplus
Reaxys:1724592
Reaxys
3-deoxy-D-erythro-hex-2-ulosonic acid
IUPAC
0
ChEBI
178.048
KEGG_COMPOUND
178.14000
ChEBI
2-Dehydro-3-deoxy-D-gluconate
KEGG_COMPOUND
2-Keto-3-deoxy-D-gluconate
KEGG_COMPOUND
2-dehydro-3-deoxy-D-gluconate
ChEBI
3-Deoxy-2-oxo-D-gluconate
ChemIDplus
3-deoxy-D-erythro-2-hexulosonic acid
ChemIDplus
C6H10O6
KEGG_COMPOUND
InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
ChEBI
OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
ChEBI
WPAMZTWLKIDIOP-WVZVXSGGSA-N
ChEBI
The D-enantiomer of glutamine.
CHEBI:12980
CHEBI:21024
CHEBI:4184
Beilstein:1723796
CAS:5959-95-5
DrugBank:DB02174
ECMDB:ECMDB03423
Gmelin:1318700
HMDB:HMDB03423
KEGG:C00819
MetaCyc:GLUTAMIDE
PDBeChem:DGN
PMID:21048866
PMID:21182880
PMID:22291598
PMID:3697715
PMID:7197365
Patent:WO2011109119
Reaxys:1723796
YMDB:YMDB00990
D-Glutamine
D-glutamine
chebi_ontology
(2R)-2,5-diamino-5-oxopentanoic acid
(2R)-2-amino-4-carbamoylbutanoic acid
(R)-2,5-diamino-5-oxopentanoic acid
0
146.069
146.14458
C5H10N2O3
D-2-Aminoglutaramic acid
D-Glutamin
D-Glutaminsaeure-5-amid
DGN
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
N[C@H](CCC(N)=O)C(O)=O
ZDXPYRJPNDTMRX-GSVOUGTGSA-N
CHEBI:17061
D-glutamine
Beilstein:1723796
Beilstein
CAS:5959-95-5
ChemIDplus
CAS:5959-95-5
KEGG COMPOUND
Gmelin:1318700
Gmelin
PMID:21048866
Europe PMC
PMID:21182880
Europe PMC
PMID:22291598
Europe PMC
PMID:3697715
Europe PMC
PMID:7197365
Europe PMC
Reaxys:1723796
Reaxys
D-Glutamine
KEGG_COMPOUND
D-glutamine
IUPAC
(2R)-2,5-diamino-5-oxopentanoic acid
IUPAC
(2R)-2-amino-4-carbamoylbutanoic acid
JCBN
(R)-2,5-diamino-5-oxopentanoic acid
ChEBI
0
ChEBI
146.069
KEGG_COMPOUND
146.14458
ChEBI
C5H10N2O3
KEGG_COMPOUND
D-2-Aminoglutaramic acid
KEGG_COMPOUND
D-Glutamin
ChEBI
D-Glutaminsaeure-5-amid
ChEBI
DGN
PDBeChem
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
ChEBI
N[C@H](CCC(N)=O)C(O)=O
ChEBI
ZDXPYRJPNDTMRX-GSVOUGTGSA-N
ChEBI
CHEBI:13431
CHEBI:8749
KEGG:C00375
chebi_ontology
0
30.034
30.04920
CH4NR
NC[*]
RCH2NH2
primary aliphatic amines
CHEBI:17062
primary aliphatic amine
0
ChEBI
30.034
ChEBI
30.04920
ChEBI
CH4NR
ChEBI
NC[*]
ChEBI
RCH2NH2
ChEBI
RCH2NH2
KEGG_COMPOUND
primary aliphatic amines
ChEBI
A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class
CHEBI:15119
CHEBI:26784
CHEBI:45745
CHEBI:9284
Beilstein:74498
CAS:57-92-1
DrugBank:DB01082
Drug_Central:2481
HMDB:HMDB15214
KEGG:C00413
KEGG:D08531
MetaCyc:STREPTOMYCIN
PDBeChem:SRY
PMID:11228320
PMID:11905029
PMID:12118520
PMID:13030054
PMID:13116094
PMID:13136149
PMID:13596285
PMID:13691614
PMID:13985260
PMID:13990247
PMID:14623118
PMID:14828344
PMID:14852338
PMID:14939639
PMID:15081082
PMID:15137533
PMID:15207172
PMID:15686853
PMID:15736038
PMID:16904706
PMID:17105735
PMID:17238915
PMID:17429930
PMID:18173084
PMID:18916143
PMID:19052412
PMID:19335957
PMID:21350946
PMID:21362244
PMID:21593257
PMID:21937264
PMID:22101040
Pesticides:streptomycin
Reaxys:74498
Wikipedia:Streptomycin
colombos:STREPTOMYCIN
colombos:STREPTOMYCIN:+UNKNOWN
N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
STREPTOMYCIN
chebi_ontology
0
2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside
581.266
581.57434
C21H39N7O12
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
Kantrex
SM
UCSJYZPVAKXKNQ-HZYVHMACSA-N
[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}
streomycin
streptomycin
CHEBI:17076
streptomycin
Beilstein:74498
Beilstein
CAS:57-92-1
ChemIDplus
CAS:57-92-1
KEGG COMPOUND
Drug_Central:2481
DrugCentral
PMID:11228320
Europe PMC
PMID:11905029
Europe PMC
PMID:12118520
Europe PMC
PMID:13030054
Europe PMC
PMID:13116094
Europe PMC
PMID:13136149
Europe PMC
PMID:13596285
Europe PMC
PMID:13691614
Europe PMC
PMID:13985260
Europe PMC
PMID:13990247
Europe PMC
PMID:14623118
Europe PMC
PMID:14828344
Europe PMC
PMID:14852338
Europe PMC
PMID:14939639
Europe PMC
PMID:15081082
Europe PMC
PMID:15137533
Europe PMC
PMID:15207172
Europe PMC
PMID:15686853
Europe PMC
PMID:15736038
Europe PMC
PMID:16904706
Europe PMC
PMID:17105735
Europe PMC
PMID:17238915
Europe PMC
PMID:17429930
Europe PMC
PMID:18173084
Europe PMC
PMID:18916143
Europe PMC
PMID:19052412
Europe PMC
PMID:19335957
Europe PMC
PMID:21350946
Europe PMC
PMID:21362244
Europe PMC
PMID:21593257
Europe PMC
PMID:21937264
Europe PMC
PMID:22101040
Europe PMC
Pesticides:streptomycin
Alan Wood's Pesticides
Reaxys:74498
Reaxys
N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
IUPAC
STREPTOMYCIN
PDBeChem
0
ChEBI
2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside
ChemIDplus
581.266
KEGG_COMPOUND
581.57434
ChEBI
C21H39N7O12
KEGG_COMPOUND
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
ChEBI
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
ChEBI
Kantrex
DrugBank
SM
KEGG_DRUG
UCSJYZPVAKXKNQ-HZYVHMACSA-N
ChEBI
[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}
IUPAC
streomycin
ChEBI
streptomycin
KEGG_DRUG
A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
CHEBI:13427
CHEBI:13646
CHEBI:24974
CHEBI:6127
CHEBI:8742
KEGG:C01450
Wikipedia:Ketone
Ketone
ketones
chebi_ontology
0
27.995
COR2
Keton
R-CO-R'
[*]C([*])=O
a ketone
cetone
ketones
CHEBI:17087
ketone
Ketone
KEGG_COMPOUND
ketones
IUPAC
0
ChEBI
27.995
ChEBI
COR2
ChEBI
Keton
ChEBI
R-CO-R'
KEGG_COMPOUND
[*]C([*])=O
ChEBI
a ketone
UniProt
cetone
ChEBI
ketones
ChEBI
The L-enantiomer of serine.
CHEBI:13167
CHEBI:21387
CHEBI:45440
CHEBI:45451
CHEBI:45590
CHEBI:45597
CHEBI:45677
CHEBI:6301
Beilstein:1721404
CAS:56-45-1
DrugBank:DB00133
Drug_Central:4127
ECMDB:ECMDB00187
Gmelin:2570
HMDB:HMDB00187
KEGG:C00065
KEGG:D00016
KNApSAcK:C00001393
MetaCyc:SER
PDBeChem:SER
PMID:1650428
PMID:17439666
PMID:19062365
PMID:21956576
PMID:22265470
PMID:22393170
PMID:22547037
PMID:22566084
PMID:22566694
Reaxys:1721404
Wikipedia:L-serine
YMDB:YMDB00112
L-Serine
L-serine
chebi_ontology
(2S)-2-amino-3-hydroxypropanoic acid
(S)-(-)-serine
(S)-2-amino-3-hydroxypropanoic acid
(S)-alpha-Amino-beta-hydroxypropionic acid
(S)-serine
0
105.043
105.09262
C3H7NO3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
L-(-)-serine
L-2-Amino-3-hydroxypropionic acid
L-3-Hydroxy-2-aminopropionic acid
L-3-Hydroxy-alanine
L-Ser
L-Serin
MTCFGRXMJLQNBG-REOHCLBHSA-N
N[C@@H](CO)C(O)=O
S
SERINE
Ser
Serine
beta-Hydroxy-L-alanine
beta-Hydroxyalanine
CHEBI:17115
L-serine
Beilstein:1721404
Beilstein
CAS:56-45-1
ChemIDplus
CAS:56-45-1
KEGG COMPOUND
CAS:56-45-1
NIST Chemistry WebBook
Drug_Central:4127
DrugCentral
Gmelin:2570
Gmelin
PMID:1650428
Europe PMC
PMID:17439666
Europe PMC
PMID:19062365
Europe PMC
PMID:21956576
Europe PMC
PMID:22265470
Europe PMC
PMID:22393170
Europe PMC
PMID:22547037
Europe PMC
PMID:22566084
Europe PMC
PMID:22566694
Europe PMC
Reaxys:1721404
Reaxys
L-Serine
KEGG_COMPOUND
L-serine
IUPAC
(2S)-2-amino-3-hydroxypropanoic acid
IUPAC
(S)-(-)-serine
NIST_Chemistry_WebBook
(S)-2-amino-3-hydroxypropanoic acid
NIST_Chemistry_WebBook
(S)-alpha-Amino-beta-hydroxypropionic acid
HMDB
(S)-serine
ChemIDplus
0
ChEBI
105.043
KEGG_COMPOUND
105.09262
ChEBI
C3H7NO3
KEGG_COMPOUND
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
ChEBI
L-(-)-serine
NIST_Chemistry_WebBook
L-2-Amino-3-hydroxypropionic acid
KEGG_COMPOUND
L-3-Hydroxy-2-aminopropionic acid
HMDB
L-3-Hydroxy-alanine
KEGG_COMPOUND
L-Ser
DrugBank
L-Serin
ChEBI
MTCFGRXMJLQNBG-REOHCLBHSA-N
ChEBI
N[C@@H](CO)C(O)=O
ChEBI
S
ChEBI
SERINE
PDBeChem
Ser
ChEBI
Serine
KEGG_COMPOUND
beta-Hydroxy-L-alanine
HMDB
beta-Hydroxyalanine
HMDB
A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).
CHEBI:14398
CHEBI:24569
Beilstein:3601453
CAS:151-33-7
ECMDB:ECMDB21229
Gmelin:326340
KEGG:C01585
MetaCyc:HEXANOATE
hexanoate
chebi_ontology
-1
1-hexanoate
1-pentacarboxylate
1-pentanecarboxylate
115.076
115.15034
C6H11O2
CCCCCC([O-])=O
CH3-[CH2]4-COO(-)
FUZZWVXGSFPDMH-UHFFFAOYSA-M
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
butylacetate
caproate
capronate
hexoate
hexylate
n-caproate
n-hexanoate
n-hexoate
n-hexylate
nPnCO2 anion
pentanecarboxylate
pentylformate
CHEBI:17120
hexanoate
Beilstein:3601453
Beilstein
CAS:151-33-7
Beilstein
Gmelin:326340
Gmelin
KEGG:C01585
ChEBI
hexanoate
IUPAC
hexanoate
UniProt
-1
ChEBI
1-hexanoate
ChEBI
1-pentacarboxylate
ChEBI
1-pentanecarboxylate
ChEBI
115.076
ChEBI
115.15034
ChEBI
C6H11O2
ChEBI
CCCCCC([O-])=O
ChEBI
CH3-[CH2]4-COO(-)
IUPAC
FUZZWVXGSFPDMH-UHFFFAOYSA-M
ChEBI
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
ChEBI
butylacetate
ChEBI
caproate
ChEBI
capronate
ChEBI
hexoate
ChEBI
hexylate
ChEBI
n-caproate
ChEBI
n-hexanoate
ChEBI
n-hexoate
ChEBI
n-hexylate
ChEBI
nPnCO2 anion
NIST_Chemistry_WebBook
pentanecarboxylate
ChEBI
pentylformate
ChEBI
An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4.
CHEBI:11817
CHEBI:13947
CHEBI:20047
CHEBI:23038
Beilstein:1866665
CAS:461-06-3
DrugBank:DB02648
KEGG:C00487
MetaCyc:DL-CARNITINE
PMID:22770225
PMID:23868375
Patent:US4255449
Patent:US4315944
Reaxys:1866665
Wikipedia:Carnitine
3-hydroxy-4-(trimethylammonio)butanoate
carnitine
chebi_ontology
0
161.105
161.19894
C7H15NO3
C[N+](C)(C)CC(O)CC([O-])=O
D,L-carnitine
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
PHIQHXFUZVPYII-UHFFFAOYSA-N
CHEBI:17126
carnitine
Beilstein:1866665
Beilstein
CAS:461-06-3
ChemIDplus
KEGG:C00487
ChEBI
PMID:22770225
Europe PMC
PMID:23868375
Europe PMC
Reaxys:1866665
Reaxys
3-hydroxy-4-(trimethylammonio)butanoate
IUPAC
carnitine
UniProt
0
ChEBI
161.105
ChEBI
161.19894
ChEBI
C7H15NO3
ChEBI
C[N+](C)(C)CC(O)CC([O-])=O
ChEBI
D,L-carnitine
MetaCyc
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
ChEBI
PHIQHXFUZVPYII-UHFFFAOYSA-N
ChEBI
CHEBI:13367
CHEBI:5598
CAS:15181-46-1
Gmelin:1455
KEGG:C11481
PDBeChem:SO3
hydrogen(trioxidosulfate)(1-)
hydrogensulfite(1-)
hydrogentrioxosulfate(1-)
hydrogentrioxosulfate(IV)
hydroxidodioxidosulfate(1-)
monohydrogentrioxosulfate
chebi_ontology
-1
80.965
81.07214
Bisulfite
HO3S
HSO3(-)
HSO3-
Hydrogen sulfite
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
LSNNMFCWUKXFEE-UHFFFAOYSA-M
OS([O-])=O
[SO2(OH)](-)
bisulfite
bisulphite
hydrogen sulfite(1-)
hydrosulfite anion
CHEBI:17137
hydrogensulfite
CAS:15181-46-1
ChemIDplus
CAS:15181-46-1
KEGG COMPOUND
Gmelin:1455
Gmelin
hydrogen(trioxidosulfate)(1-)
IUPAC
hydrogensulfite(1-)
IUPAC
hydrogentrioxosulfate(1-)
IUPAC
hydrogentrioxosulfate(IV)
IUPAC
hydroxidodioxidosulfate(1-)
IUPAC
monohydrogentrioxosulfate
IUPAC
-1
ChEBI
80.965
KEGG_COMPOUND
81.07214
ChEBI
Bisulfite
KEGG_COMPOUND
HO3S
KEGG_COMPOUND
HSO3(-)
IUPAC
HSO3-
KEGG_COMPOUND
Hydrogen sulfite
KEGG_COMPOUND
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
ChEBI
LSNNMFCWUKXFEE-UHFFFAOYSA-M
ChEBI
OS([O-])=O
ChEBI
[SO2(OH)](-)
IUPAC
bisulfite
ChemIDplus
bisulphite
ChemIDplus
hydrogen sulfite(1-)
ChemIDplus
hydrosulfite anion
ChemIDplus
CHEBI:13833
CHEBI:22559
CHEBI:2728
KEGG:C02811
PDBeChem:TDC
colombos:ANHYDROTETRACYCLIN
(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
Anhydrotetracycline
chebi_ontology
0
426.143
426.41936
C22H22N2O7
CXCVEERYMJZMMM-DOCRCCHOSA-N
InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1
[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
CHEBI:17146
anhydrotetracycline
(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
IUPAC
Anhydrotetracycline
KEGG_COMPOUND
0
ChEBI
426.143
KEGG_COMPOUND
426.41936
ChEBI
C22H22N2O7
KEGG_COMPOUND
CXCVEERYMJZMMM-DOCRCCHOSA-N
ChEBI
InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1
ChEBI
[H][C@@]12Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
ChEBI
A four-carbon alkane-alpha,omega-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh.
CHEBI:14972
CHEBI:26405
CHEBI:45092
CHEBI:8650
Beilstein:605282
CAS:110-60-1
DrugBank:DB01917
ECMDB:ECMDB01414
Gmelin:1715
HMDB:HMDB01414
KEGG:C00134
KNApSAcK:C00001428
MetaCyc:PUTRESCINE
PDBeChem:PUT
PMID:12053479
PMID:15453685
PMID:16346523
PMID:18721677
PMID:22735334
PMID:24331418
PMID:24820075
PMID:24864091
Reaxys:605282
Wikipedia:Putrescine
YMDB:YMDB00132
Putrescine
butane-1,4-diamine
chebi_ontology
0
1,4-Butanediamine
1,4-DIAMINOBUTANE
1,4-butylenediamine
1,4-tetramethylenediamine
88.100
88.15150
Butane-1,4-diamine
C4H12N2
H2N(CH2)4NH2
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
KIDHWZJUCRJVML-UHFFFAOYSA-N
NCCCCN
Putrescin
Putreszin
Tetramethylendiamin
Tetramethylenediamine
butylenediamine
putrescina
CHEBI:17148
putrescine
Beilstein:605282
Beilstein
CAS:110-60-1
ChemIDplus
CAS:110-60-1
KEGG COMPOUND
CAS:110-60-1
NIST Chemistry WebBook
Gmelin:1715
Gmelin
PMID:12053479
Europe PMC
PMID:15453685
Europe PMC
PMID:16346523
Europe PMC
PMID:18721677
Europe PMC
PMID:22735334
Europe PMC
PMID:24331418
Europe PMC
PMID:24820075
Europe PMC
PMID:24864091
Europe PMC
Reaxys:605282
Reaxys
Putrescine
KEGG_COMPOUND
butane-1,4-diamine
IUPAC
0
ChEBI
1,4-Butanediamine
KEGG_COMPOUND
1,4-DIAMINOBUTANE
PDBeChem
1,4-butylenediamine
ChemIDplus
1,4-tetramethylenediamine
NIST_Chemistry_WebBook
88.100
KEGG_COMPOUND
88.15150
ChEBI
Butane-1,4-diamine
KEGG_COMPOUND
C4H12N2
KEGG_COMPOUND
H2N(CH2)4NH2
NIST_Chemistry_WebBook
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
ChEBI
KIDHWZJUCRJVML-UHFFFAOYSA-N
ChEBI
NCCCCN
ChEBI
Putrescin
ChEBI
Putreszin
ChEBI
Tetramethylendiamin
ChEBI
Tetramethylenediamine
KEGG_COMPOUND
butylenediamine
ChemIDplus
putrescina
ChEBI
A 2-oxo aldehyde derived from propanal.
CHEBI:11643
CHEBI:14599
CHEBI:25303
CHEBI:6875
Beilstein:906750
CAS:78-98-8
KEGG:C00546
KNApSAcK:C00007562
PMID:10373458
PMID:10723098
PMID:11504881
PMID:15520007
PMID:17103372
PMID:19202315
PMID:20096340
PMID:22983866
PMID:23543734
PMID:23845007
PMID:24040205
PMID:24168114
PMID:26861824
PMID:9506998
Reaxys:906750
Wikipedia:Methylglyoxal
2-oxopropanal
Methylglyoxal
chebi_ontology
0
1,2-propanedione
2-Ketopropionaldehyde
2-Oxopropanal
2-oxopropanal
2-oxopropionaldehyde
72.021
72.06266
AIJULSRZWUXGPQ-UHFFFAOYSA-N
C3H4O2
CH3COCHO
InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
Pyruvaldehyde
Pyruvic aldehyde
[H]C(=O)C(C)=O
acetylformaldehyde
acetylformyl
alpha-ketopropionaldehyde
CHEBI:17158
methylglyoxal
Beilstein:906750
Beilstein
CAS:78-98-8
ChemIDplus
CAS:78-98-8
KEGG COMPOUND
CAS:78-98-8
NIST Chemistry WebBook
PMID:10373458
Europe PMC
PMID:10723098
Europe PMC
PMID:11504881
Europe PMC
PMID:15520007
Europe PMC
PMID:17103372
Europe PMC
PMID:19202315
Europe PMC
PMID:20096340
Europe PMC
PMID:22983866
Europe PMC
PMID:23543734
Europe PMC
PMID:23845007
Europe PMC
PMID:24040205
Europe PMC
PMID:24168114
Europe PMC
PMID:26861824
Europe PMC
PMID:9506998
Europe PMC
Reaxys:906750
Reaxys
2-oxopropanal
IUPAC
Methylglyoxal
KEGG_COMPOUND
0
ChEBI
1,2-propanedione
NIST_Chemistry_WebBook
2-Ketopropionaldehyde
KEGG_COMPOUND
2-Oxopropanal
KEGG_COMPOUND
2-oxopropanal
UniProt
2-oxopropionaldehyde
ChemIDplus
72.021
KEGG_COMPOUND
72.06266
ChEBI
AIJULSRZWUXGPQ-UHFFFAOYSA-N
ChEBI
C3H4O2
KEGG_COMPOUND
CH3COCHO
NIST_Chemistry_WebBook
InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
ChEBI
Pyruvaldehyde
KEGG_COMPOUND
Pyruvic aldehyde
KEGG_COMPOUND
[H]C(=O)C(C)=O
ChEBI
acetylformaldehyde
ChemIDplus
acetylformyl
NIST_Chemistry_WebBook
alpha-ketopropionaldehyde
NIST_Chemistry_WebBook
CHEBI:14676
CHEBI:25607
CHEBI:7439
CHEBI:7653
CHEBI:7654
KEGG:C01329
KEGG:C02520
chebi_ontology
0
213.016
C5H10O7PR
NMP
Nucleoside monophosphate
Nucleoside phosphate
O[C@H]1[C@H]([*])O[C@H](COP(O)(O)=O)[C@H]1O
nucleoside monophosphate
nucleoside monophosphates
CHEBI:17188
nucleoside 5'-monophosphate
0
ChEBI
213.016
ChEBI
C5H10O7PR
ChEBI
NMP
KEGG_COMPOUND
Nucleoside monophosphate
KEGG_COMPOUND
Nucleoside phosphate
KEGG_COMPOUND
O[C@H]1[C@H]([*])O[C@H](COP(O)(O)=O)[C@H]1O
ChEBI
nucleoside monophosphate
ChEBI
nucleoside monophosphates
ChEBI
An optically active form of asparagine having L-configuration.
CHEBI:13083
CHEBI:21242
CHEBI:40902
CHEBI:6191
Beilstein:1723527
CAS:70-47-3
DrugBank:DB00174
Drug_Central:4126
ECMDB:ECMDB00168
Gmelin:3334
HMDB:HMDB00168
KEGG:C00152
KNApSAcK:C00001341
MetaCyc:ASN
PDBeChem:ASN
PMID:12142634
PMID:15907185
PMID:16190636
PMID:16368161
PMID:16668324
PMID:17497286
PMID:21800258
PMID:21854356
PMID:22513289
Reaxys:1723527
Wikipedia:Asparagine
YMDB:YMDB00226
L-Asparagine
L-asparagine
chebi_ontology
(2S)-2,4-diamino-4-oxobutanoic acid
(2S)-2-amino-3-carbamoylpropanoic acid
(S)-2-amino-3-carbamoylpropanoic acid
(S)-Asparagine
0
132.053
132.11800
2-Aminosuccinamic acid
ASPARAGINE
Asn
Aspartamic acid
C4H8N2O3
DCXYFEDJOCDNAF-REOHCLBHSA-N
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
L-2-aminosuccinamic acid
L-Asparagin
L-aspartic acid beta-amide
N
N[C@@H](CC(N)=O)C(O)=O
alpha-aminosuccinamic acid
CHEBI:17196
L-asparagine
Beilstein:1723527
Beilstein
CAS:70-47-3
ChemIDplus
CAS:70-47-3
KEGG COMPOUND
CAS:70-47-3
NIST Chemistry WebBook
Drug_Central:4126
DrugCentral
Gmelin:3334
Gmelin
PMID:12142634
Europe PMC
PMID:15907185
Europe PMC
PMID:16190636
Europe PMC
PMID:16368161
Europe PMC
PMID:16668324
Europe PMC
PMID:17497286
Europe PMC
PMID:21800258
Europe PMC
PMID:21854356
Europe PMC
PMID:22513289
Europe PMC
Reaxys:1723527
Reaxys
L-Asparagine
KEGG_COMPOUND
L-asparagine
IUPAC
(2S)-2,4-diamino-4-oxobutanoic acid
IUPAC
(2S)-2-amino-3-carbamoylpropanoic acid
JCBN
(S)-2-amino-3-carbamoylpropanoic acid
ChEBI
(S)-Asparagine
DrugBank
0
ChEBI
132.053
KEGG_COMPOUND
132.11800
ChEBI
2-Aminosuccinamic acid
KEGG_COMPOUND
ASPARAGINE
PDBeChem
Asn
NIST_Chemistry_WebBook
Aspartamic acid
DrugBank
C4H8N2O3
KEGG_COMPOUND
DCXYFEDJOCDNAF-REOHCLBHSA-N
ChEBI
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
ChEBI
L-2-aminosuccinamic acid
ChemIDplus
L-Asparagin
ChEBI
L-aspartic acid beta-amide
ChEBI
N
NIST_Chemistry_WebBook
N[C@@H](CC(N)=O)C(O)=O
ChEBI
alpha-aminosuccinamic acid
ChemIDplus
A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.
CHEBI:14408
CHEBI:5751
HMDB:HMDB00742
KEGG:C05330
PMID:11133260
PMID:16596805
PMID:18370634
Wikipedia:Homocysteine
2-amino-4-sulfanylbutanoic acid
Homocysteine
homocysteine
chebi_ontology
0
135.035
135.18580
2-Amino-4-mercaptobutyric acid
C4H9NO2S
FFFHZYDWPBMWHY-UHFFFAOYSA-N
Hcy
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
NC(CCS)C(O)=O
CHEBI:17230
homocysteine
PMID:11133260
Europe PMC
PMID:16596805
Europe PMC
PMID:18370634
Europe PMC
2-amino-4-sulfanylbutanoic acid
IUPAC
Homocysteine
KEGG_COMPOUND
homocysteine
IUPAC
0
ChEBI
135.035
KEGG_COMPOUND
135.18580
ChEBI
2-Amino-4-mercaptobutyric acid
KEGG_COMPOUND
C4H9NO2S
KEGG_COMPOUND
FFFHZYDWPBMWHY-UHFFFAOYSA-N
ChEBI
Hcy
IUPAC
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
ChEBI
NC(CCS)C(O)=O
ChEBI
An aldohexose used as a source of energy and metabolic intermediate.
CHEBI:14313
CHEBI:24277
CHEBI:33929
CHEBI:5418
CAS:50-99-7
KEGG:C00293
Wikipedia:Glucose
colombos:GLUCOSE
Glucose
gluco-hexose
glucose
chebi_ontology
0
180.15588
C6H12O6
DL-glucose
Glc
Glukose
CHEBI:17234
glucose
CAS:50-99-7
KEGG COMPOUND
Glucose
KEGG_COMPOUND
gluco-hexose
IUPAC
glucose
IUPAC
0
ChEBI
180.15588
ChEBI
C6H12O6
KEGG_COMPOUND
DL-glucose
ChEBI
Glc
JCBN
Glukose
ChEBI
The 7H-tautomer of purine.
CHEBI:14968
CHEBI:8639
Beilstein:3200
Gmelin:601779
HMDB:HMDB01366
KEGG:C15587
Reaxys:3200
7H-purine
chebi_ontology
0
120.044
120.11222
C5H4N4
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
KDCGOANMDULRCW-UHFFFAOYSA-N
Purine
Purine base
c1ncc2[nH]cnc2n1
purine
CHEBI:17258
7H-purine
Beilstein:3200
Beilstein
Gmelin:601779
Gmelin
Reaxys:3200
Reaxys
7H-purine
IUPAC
0
ChEBI
120.044
KEGG_COMPOUND
120.11222
ChEBI
C5H4N4
KEGG_COMPOUND
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
ChEBI
KDCGOANMDULRCW-UHFFFAOYSA-N
ChEBI
Purine
KEGG_COMPOUND
Purine base
KEGG_COMPOUND
c1ncc2[nH]cnc2n1
ChEBI
purine
UniProt
The conjugate base of propionic acid; a key precursor in lipid biosynthesis.
CHEBI:14903
CHEBI:26290
Beilstein:3587503
CAS:72-03-7
Gmelin:1820
KEGG:C00163
PMID:17951291
PMID:18375549
PMID:2647392
UM-BBD_compID:c0277
propanoate
propionate
chebi_ontology
-1
73.029
73.07060
C3H5O2
CCC([O-])=O
CH3-CH2-COO(-)
EtCO2 anion
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
XBDQKXXYIPTUBI-UHFFFAOYSA-M
carboxylatoethane
ethanecarboxylate
ethylformate
metacetonate
methylacetate
propanate
propanoate
propanoic acid, ion(1-)
pseudoacetate
CHEBI:17272
propionate
Beilstein:3587503
Beilstein
CAS:72-03-7
ChemIDplus
CAS:72-03-7
NIST Chemistry WebBook
Gmelin:1820
Gmelin
KEGG:C00163
ChEBI
PMID:17951291
Europe PMC
PMID:18375549
Europe PMC
PMID:2647392
Europe PMC
UM-BBD_compID:c0277
ChEBI
propanoate
IUPAC
propionate
IUPAC
-1
ChEBI
73.029
ChEBI
73.07060
ChEBI
C3H5O2
ChEBI
CCC([O-])=O
ChEBI
CH3-CH2-COO(-)
IUPAC
EtCO2 anion
NIST_Chemistry_WebBook
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
ChEBI
XBDQKXXYIPTUBI-UHFFFAOYSA-M
ChEBI
carboxylatoethane
ChEBI
ethanecarboxylate
ChEBI
ethylformate
ChEBI
metacetonate
ChEBI
methylacetate
ChEBI
propanate
ChEBI
propanoate
UniProt
propanoic acid, ion(1-)
ChemIDplus
pseudoacetate
ChEBI
A butan-4-olide having an amino substituent at the 2-position.
CHEBI:1017
CHEBI:11522
CHEBI:19468
CHEBI:30656
Beilstein:80584
CAS:1192-20-7
DrugBank:DB02624
KEGG:C02926
MetaCyc:HOMOSERINE-LACTONE
PMID:7545940
Reaxys:80584
3-amino-4,5-dihydrofuran-2(3H)-one
Homoserine lactone
homoserine lactone
chebi_ontology
0
101.048
101.10392
2-Aminobutan-4-olide
C4H7NO2
HSL
HSLs
Hsl
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
NC1CCOC1=O
QJPWUUJVYOJNMH-UHFFFAOYSA-N
alpha-amino-gamma-butyrolactone
CHEBI:17289
homoserine lactone
Beilstein:80584
Beilstein
CAS:1192-20-7
ChemIDplus
PMID:7545940
Europe PMC
Reaxys:80584
Reaxys
3-amino-4,5-dihydrofuran-2(3H)-one
IUPAC
Homoserine lactone
KEGG_COMPOUND
homoserine lactone
IUPAC
0
ChEBI
101.048
KEGG_COMPOUND
101.10392
ChEBI
2-Aminobutan-4-olide
KEGG_COMPOUND
C4H7NO2
KEGG_COMPOUND
HSL
ChEBI
HSLs
ChEBI
Hsl
IUPAC
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
ChEBI
NC1CCOC1=O
ChEBI
QJPWUUJVYOJNMH-UHFFFAOYSA-N
ChEBI
alpha-amino-gamma-butyrolactone
ChEBI
A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.
CHEBI:13834
CHEBI:22561
CHEBI:2732
CHEBI:40796
Beilstein:605631
CAS:62-53-3
DrugBank:DB06728
Gmelin:2796
HMDB:HMDB03012
KEGG:C00292
MetaCyc:ANILINE
PDBeChem:ANL
PMID:11304127
PMID:17135213
PMID:23821252
PMID:3779628
PMID:6205897
Reaxys:605631
Wikipedia:Aniline
ANILINE
Aniline
aniline
chebi_ontology
0
93.058
93.12650
Anilin
Benzenamine
C6H7N
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Nc1ccccc1
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Phenylamine
aminobenzene
aminophen
benzeneamine
kyanol
CHEBI:17296
aniline
Beilstein:605631
Beilstein
CAS:62-53-3
ChemIDplus
CAS:62-53-3
KEGG COMPOUND
CAS:62-53-3
NIST Chemistry WebBook
Gmelin:2796
Gmelin
PMID:11304127
Europe PMC
PMID:17135213
Europe PMC
PMID:23821252
Europe PMC
PMID:3779628
Europe PMC
PMID:6205897
Europe PMC
Reaxys:605631
Reaxys
ANILINE
PDBeChem
Aniline
KEGG_COMPOUND
aniline
IUPAC
aniline
UniProt
0
ChEBI
93.058
KEGG_COMPOUND
93.12650
ChEBI
Anilin
NIST_Chemistry_WebBook
Benzenamine
KEGG_COMPOUND
C6H7N
KEGG_COMPOUND
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
ChEBI
Nc1ccccc1
ChEBI
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
ChEBI
Phenylamine
KEGG_COMPOUND
aminobenzene
ChemIDplus
aminophen
ChemIDplus
benzeneamine
NIST_Chemistry_WebBook
kyanol
NIST_Chemistry_WebBook
A hexaric acid derived by oxidation of sugar such as glucose with nitric acid.
CHEBI:24258
CHEBI:5393
Beilstein:1728123
CAS:25525-21-7
DrugBank:DB03603
HMDB:HMDB00663
KEGG:C00767
PMID:6526537
Reaxys:1728123
Glucaric acid
glucaric acid
chebi_ontology
0
210.13880
C6H10O8
glucosaccharic acid
saccharic acid
tetrahydroxyadipic acid
CHEBI:17301
glucaric acid
Beilstein:1728123
Beilstein
CAS:25525-21-7
ChemIDplus
PMID:6526537
Europe PMC
Reaxys:1728123
Reaxys
Glucaric acid
KEGG_COMPOUND
glucaric acid
IUPAC
0
ChEBI
210.13880
ChEBI
C6H10O8
KEGG_COMPOUND
glucosaccharic acid
ChemIDplus
saccharic acid
ChEBI
tetrahydroxyadipic acid
ChemIDplus
A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage.
CHEBI:14568
CHEBI:25144
CHEBI:6668
Beilstein:1292747
CAS:69-79-4
DrugBank:DB03323
KEGG:C00208
KEGG:D00044
KEGG:G00275
KNApSAcK:C00001140
PMID:16332759
PMID:17723085
PMID:22094343
PMID:22185612
PMID:22246222
PMID:22252265
PMID:22411612
PMID:22424089
PMID:22451670
PMID:22469630
PMID:22529943
PMID:22573161
PMID:22669197
Reaxys:1292747
Wikipedia:Maltose
Maltose
alpha-D-glucopyranosyl-(1->4)-D-glucopyranose
alpha-D-glucopyranosyl-(1->4)-D-glucose
maltose
chebi_ontology
0
1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose
342.116
342.29648
4-(alpha-D-glucopyranosido)-alpha-glucopyranose
4-(alpha-D-glucosido)-D-glucose
4-O-alpha-D-glucopyranosyl-D-glucopyranose
4-O-alpha-D-glucopyranosyl-D-glucose
C12H22O11
Cextromaltose
D-(+)-maltose
D-maltose
GUBGYTABKSRVRQ-PICCSMPSSA-N
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1
Malt sugar
Malzzucker
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
alpha-D-Glcp-(1->4)-D-Glcp
alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose
alpha-malt sugar
maltobiose
CHEBI:17306
maltose
Beilstein:1292747
Beilstein
CAS:69-79-4
ChemIDplus
CAS:69-79-4
KEGG COMPOUND
CAS:69-79-4
NIST Chemistry WebBook
PMID:16332759
Europe PMC
PMID:17723085
Europe PMC
PMID:22094343
Europe PMC
PMID:22185612
Europe PMC
PMID:22246222
Europe PMC
PMID:22252265
Europe PMC
PMID:22411612
Europe PMC
PMID:22424089
Europe PMC
PMID:22451670
Europe PMC
PMID:22469630
Europe PMC
PMID:22529943
Europe PMC
PMID:22573161
Europe PMC
PMID:22669197
Europe PMC
Reaxys:1292747
Reaxys
Maltose
KEGG_COMPOUND
alpha-D-glucopyranosyl-(1->4)-D-glucopyranose
IUPAC
alpha-D-glucopyranosyl-(1->4)-D-glucose
IUPAC
maltose
UniProt
0
ChEBI
1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose
KEGG_COMPOUND
342.116
KEGG_COMPOUND
342.29648
ChEBI
4-(alpha-D-glucopyranosido)-alpha-glucopyranose
NIST_Chemistry_WebBook
4-(alpha-D-glucosido)-D-glucose
NIST_Chemistry_WebBook
4-O-alpha-D-glucopyranosyl-D-glucopyranose
IUPAC
4-O-alpha-D-glucopyranosyl-D-glucose
NIST_Chemistry_WebBook
C12H22O11
KEGG_COMPOUND
Cextromaltose
NIST_Chemistry_WebBook
D-(+)-maltose
ChemIDplus
D-maltose
NIST_Chemistry_WebBook
GUBGYTABKSRVRQ-PICCSMPSSA-N
ChEBI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1
ChEBI
Malt sugar
KEGG_COMPOUND
Malzzucker
ChEBI
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI
alpha-D-Glcp-(1->4)-D-Glcp
IUPAC
alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose
KEGG_COMPOUND
alpha-malt sugar
NIST_Chemistry_WebBook
maltobiose
NIST_Chemistry_WebBook
An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.
CHEBI:12961
HMDB:HMDB01514
PMID:19067146
PMID:59831
Reaxys:1724602
2-amino-2-deoxy-D-glucose
D-glucosamine
chebi_ontology
2-amino-D-2-deoxyglucose
2-deoxy-2-amino-D-glucose
C6H13NO5
D-GlcN
CHEBI:17315
D-glucosamine
PMID:19067146
Europe PMC
PMID:59831
Europe PMC
Reaxys:1724602
Reaxys
2-amino-2-deoxy-D-glucose
IUPAC
D-glucosamine
IUPAC
2-amino-D-2-deoxyglucose
ChEBI
2-deoxy-2-amino-D-glucose
ChEBI
C6H13NO5
ChEBI
D-GlcN
JCBN
CHEBI:13411
CHEBI:14677
CHEBI:25610
CHEBI:7442
CHEBI:7655
KEGG:C00201
Nucleoside triphosphate
chebi_ontology
0
372.949
388.09680
C5H12O13P3R
C[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
NTP
nucleoside triphosphates
CHEBI:17326
nucleoside triphosphate
Nucleoside triphosphate
KEGG_COMPOUND
0
ChEBI
372.949
ChEBI
388.09680
ChEBI
C5H12O13P3R
ChEBI
C[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI
NTP
KEGG_COMPOUND
nucleoside triphosphates
ChEBI
Any member of the group of substituted penams containing two methyl substituents at position 2, a carboxylate substituent at position 3 and a carboxamido group at position 6.
CHEBI:14742
CHEBI:25869
CHEBI:7961
KEGG:C00395
PMID:11851248
PMID:12833570
PMID:1502708
PMID:16033609
PMID:7061385
PMID:7798534
Wikipedia:Penicillin
Penicillin
penicillins
chebi_ontology
0
243.044
243.26000
C9H11N2O4SR
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O
penicillins
CHEBI:17334
penicillin
PMID:11851248
Europe PMC
PMID:12833570
Europe PMC
PMID:1502708
Europe PMC
PMID:16033609
Europe PMC
PMID:7061385
Europe PMC
PMID:7798534
Europe PMC
Penicillin
KEGG_COMPOUND
penicillins
IUPAC
0
ChEBI
243.044
ChEBI
243.26000
ChEBI
C9H11N2O4SR
ChEBI
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O
ChEBI
penicillins
ChEBI
Any D-aldose having a six-carbon chain with a phosphate group at C-6.
CHEBI:12991
6-O-phosphono-D-glycero-hexose
D-glycero-hexose 6-(dihydrogen phosphate)
chebi_ontology
C6H13O9P
CHEBI:17348
D-aldohexose 6-phosphate
6-O-phosphono-D-glycero-hexose
IUPAC
D-glycero-hexose 6-(dihydrogen phosphate)
IUPAC
C6H13O9P
ChEBI
Sulfite is an inorganic anion, which is the conjugate base of hydrogen sulfite.
CHEBI:15139
CHEBI:45548
CAS:14265-45-3
Gmelin:1449
PDBeChem:SO3
sulfite
trioxidosulfate(2-)
trioxosulfate(2-)
trioxosulfate(IV)
chebi_ontology
-2
79.957
80.06420
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
LSNNMFCWUKXFEE-UHFFFAOYSA-L
O3S
SO3
SO3(2-)
SULFITE ION
[O-]S([O-])=O
[SO3](2-)
sulphite
CHEBI:17359
sulfite
CAS:14265-45-3
ChemIDplus
Gmelin:1449
Gmelin
sulfite
IUPAC
sulfite
UniProt
trioxidosulfate(2-)
IUPAC
trioxosulfate(2-)
IUPAC
trioxosulfate(IV)
IUPAC
-2
ChEBI
79.957
ChEBI
80.06420
ChEBI
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
ChEBI
LSNNMFCWUKXFEE-UHFFFAOYSA-L
ChEBI
O3S
ChEBI
SO3
ChEBI
SO3(2-)
IUPAC
SULFITE ION
PDBeChem
[O-]S([O-])=O
ChEBI
[SO3](2-)
IUPAC
sulphite
ChEBI
A purine nucleobase that consists of purine bearing an oxo substituent at position 6.
CHEBI:14431
CHEBI:24762
CHEBI:43237
CHEBI:5841
Beilstein:5811
CAS:68-94-0
DrugBank:DB04076
ECMDB:ECMDB00157
Gmelin:464558
HMDB:HMDB00157
KEGG:C00262
KNApSAcK:C00001502
MetaCyc:HYPOXANTHINE
PDBeChem:HPA
PMID:14253484
PMID:22735334
PMID:23400363
PMID:23670363
Reaxys:5811
Wikipedia:Hypoxanthine
YMDB:YMDB00555
1,7-dihydro-6H-purin-6-one
HYPOXANTHINE
Hypoxanthine
hypoxanthine
chebi_ontology
0
136.039
136.11162
6(1H)-purinone
6-oxopurine
9H-purin-6(1H)-one
C5H4N4O
FDGQSTZJBFJUBT-UHFFFAOYSA-N
Hyp
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
O=c1[nH]cnc2nc[nH]c12
Purine-6-ol
purin-6(1H)-one
CHEBI:17368
hypoxanthine
Beilstein:5811
Beilstein
CAS:68-94-0
ChemIDplus
CAS:68-94-0
KEGG COMPOUND
CAS:68-94-0
NIST Chemistry WebBook
Gmelin:464558
Gmelin
PMID:14253484
Europe PMC
PMID:22735334
Europe PMC
PMID:23400363
Europe PMC
PMID:23670363
Europe PMC
Reaxys:5811
Reaxys
1,7-dihydro-6H-purin-6-one
IUPAC
HYPOXANTHINE
PDBeChem
Hypoxanthine
KEGG_COMPOUND
hypoxanthine
UniProt
0
ChEBI
136.039
KEGG_COMPOUND
136.11162
ChEBI
6(1H)-purinone
NIST_Chemistry_WebBook
6-oxopurine
NIST_Chemistry_WebBook
9H-purin-6(1H)-one
NIST_Chemistry_WebBook
C5H4N4O
KEGG_COMPOUND
FDGQSTZJBFJUBT-UHFFFAOYSA-N
ChEBI
Hyp
CBN
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
ChEBI
O=c1[nH]cnc2nc[nH]c12
ChEBI
Purine-6-ol
KEGG_COMPOUND
purin-6(1H)-one
NIST_Chemistry_WebBook
CHEBI:12906
CHEBI:20900
D-allo-hexose
D-allose
chebi_ontology
0
180.15588
C6H12O6
D-All
CHEBI:17393
D-allose
D-allo-hexose
IUPAC
D-allose
IUPAC
0
ChEBI
180.15588
ChEBI
C6H12O6
ChEBI
D-All
JCBN
A straight-chain saturated fatty acid containing five carbon atoms.
CHEBI:113448
CHEBI:27263
CHEBI:27264
CHEBI:43606
CHEBI:44803
CHEBI:7980
Beilstein:969454
CAS:109-52-4
DrugBank:DB02406
Gmelin:26714
HMDB:HMDB00892
KEGG:C00803
KNApSAcK:C00001208
LIPID_MAPS_instance:LMFA01010005
PDBeChem:PEI
PMID:20507156
Reaxys:969454
Valeric acid
pentanoic acid
chebi_ontology
0
1-butanecarboxylic acid
102.068
102.13170
C5H10O2
CCCCC(O)=O
CH3-[CH2]3-COOH
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
PENTANOIC ACID
Pentanoate
Pentanoic acid
Valerate
Valerianic acid
Valeriansaeure
n-BuCOOH
n-Pentanoate
n-Valeric acid
n-pentanoic acid
n-valeric acid
pentoic acid
propylacetic acid
valeric acid, normal
CHEBI:17418
valeric acid
Beilstein:969454
Beilstein
CAS:109-52-4
ChemIDplus
CAS:109-52-4
KEGG COMPOUND
CAS:109-52-4
NIST Chemistry WebBook
Gmelin:26714
Gmelin
LIPID_MAPS_instance:LMFA01010005
LIPID MAPS
PMID:20507156
Europe PMC
Reaxys:969454
Reaxys
Valeric acid
KEGG_COMPOUND
pentanoic acid
IUPAC
0
ChEBI
1-butanecarboxylic acid
ChemIDplus
1-butanecarboxylic acid
NIST_Chemistry_WebBook
102.068
ChEBI
102.068
KEGG_COMPOUND
102.13170
ChEBI
C5H10O2
ChEBI
CCCCC(O)=O
ChEBI
CH3-[CH2]3-COOH
IUPAC
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
ChEBI
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
ChEBI
PENTANOIC ACID
PDBeChem
Pentanoate
KEGG_COMPOUND
Pentanoic acid
KEGG_COMPOUND
Valerate
KEGG_COMPOUND
Valerianic acid
KEGG_COMPOUND
Valeriansaeure
ChEBI
n-BuCOOH
ChEBI
n-Pentanoate
KEGG_COMPOUND
n-Valeric acid
KEGG_COMPOUND
n-pentanoic acid
ChemIDplus
n-valeric acid
ChemIDplus
pentoic acid
ChEBI
propylacetic acid
ChemIDplus
valeric acid, normal
ChemIDplus
A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.
CHEBI:13432
CHEBI:13753
CHEBI:13805
CHEBI:13806
CHEBI:22291
CHEBI:2554
CHEBI:8750
KEGG:C00071
Aldehyde
aldehyde
aldehydes
chebi_ontology
0
29.003
29.01800
Aldehyd
CHOR
RC(=O)H
RCHO
[H]C([*])=O
aldehido
aldehidos
aldehydes
aldehydum
an aldehyde
CHEBI:17478
aldehyde
Aldehyde
KEGG_COMPOUND
aldehyde
ChEBI
aldehyde
IUPAC
aldehydes
IUPAC
0
ChEBI
29.003
ChEBI
29.01800
ChEBI
Aldehyd
ChEBI
CHOR
ChEBI
RC(=O)H
IUPAC
RCHO
KEGG_COMPOUND
[H]C([*])=O
ChEBI
aldehido
ChEBI
aldehidos
ChEBI
aldehydes
ChEBI
aldehydum
ChEBI
an aldehyde
UniProt
A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase.
CHEBI:11673
CHEBI:1325
CHEBI:19827
CHEBI:41588
Beilstein:52645
CAS:60-92-4
DrugBank:DB02527
HMDB:HMDB00058
KEGG:C00575
KNApSAcK:C00001497
MetaCyc:CAMP
PDBeChem:CMP
PMID:16295522
PMID:18372334
PMID:22770225
Reaxys:52645
Wikipedia:Cyclic_AMP
3',5'-Cyclic AMP
adenosine 3',5'-(hydrogen phosphate)
chebi_ontology
0
329.053
329.20614
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Adenosine 3',5'-cyclic phosphate
Adenosine 3',5'-phosphate
C10H12N5O6P
Cyclic AMP
Cyclic adenylic acid
IVOMOUWHDPKRLL-KQYNXXCUSA-N
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
adenosine 3',5'-cyclic monophosphate
cAMP
CHEBI:17489
3',5'-cyclic AMP
Beilstein:52645
Beilstein
CAS:60-92-4
ChemIDplus
CAS:60-92-4
KEGG COMPOUND
CAS:60-92-4
NIST Chemistry WebBook
PMID:16295522
Europe PMC
PMID:18372334
Europe PMC
PMID:22770225
Europe PMC
Reaxys:52645
Reaxys
3',5'-Cyclic AMP
KEGG_COMPOUND
adenosine 3',5'-(hydrogen phosphate)
IUPAC
0
ChEBI
329.053
KEGG_COMPOUND
329.20614
ChEBI
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
PDBeChem
Adenosine 3',5'-cyclic phosphate
KEGG_COMPOUND
Adenosine 3',5'-phosphate
KEGG_COMPOUND
C10H12N5O6P
KEGG_COMPOUND
Cyclic AMP
KEGG_COMPOUND
Cyclic adenylic acid
KEGG_COMPOUND
IVOMOUWHDPKRLL-KQYNXXCUSA-N
ChEBI
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
ChEBI
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
ChEBI
adenosine 3',5'-cyclic monophosphate
NIST_Chemistry_WebBook
cAMP
KEGG_COMPOUND
A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.
CHEBI:24390
CHEBI:42865
CHEBI:5475
CAS:79-14-1
Drug_Central:4645
HMDB:HMDB00115
KEGG:C00160
KNApSAcK:C00007461
LIPID_MAPS_instance:LMFA01050148
MetaCyc:GLYCOLLATE
PDBeChem:GOA
PMID:14585457
PMID:15662707
PMID:15716481
PMID:15716482
PMID:18498500
PMID:19025792
PMID:21950544
PMID:22044748
PMID:22128110
PMID:22360337
PMID:22421647
Reaxys:1209322
Wikipedia:Glycolic_acid
GLYCOLIC ACID
Glycolic acid
hydroxyacetic acid
chebi_ontology
0
2-Hydroxyacetic acid
2-Hydroxyethanoic acid
76.016
76.05136
AEMRFAOFKBGASW-UHFFFAOYSA-N
C2H4O3
Glycollic acid
HOCH2COOH
Hydroxyacetic acid
Hydroxyethanoic acid
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
OCC(O)=O
alpha-Hydroxyacetic acid
alpha-hydroxyacetic acid
CHEBI:17497
glycolic acid
CAS:79-14-1
ChemIDplus
CAS:79-14-1
KEGG COMPOUND
CAS:79-14-1
NIST Chemistry WebBook
Drug_Central:4645
DrugCentral
LIPID_MAPS_instance:LMFA01050148
LIPID MAPS
PMID:14585457
Europe PMC
PMID:15662707
Europe PMC
PMID:15716481
Europe PMC
PMID:15716482
Europe PMC
PMID:18498500
Europe PMC
PMID:19025792
Europe PMC
PMID:21950544
Europe PMC
PMID:22044748
Europe PMC
PMID:22128110
Europe PMC
PMID:22360337
Europe PMC
PMID:22421647
Europe PMC
Reaxys:1209322
Reaxys
GLYCOLIC ACID
PDBeChem
Glycolic acid
KEGG_COMPOUND
hydroxyacetic acid
IUPAC
0
ChEBI
2-Hydroxyacetic acid
ChemIDplus
2-Hydroxyethanoic acid
NIST_Chemistry_WebBook
76.016
KEGG_COMPOUND
76.05136
ChEBI
AEMRFAOFKBGASW-UHFFFAOYSA-N
ChEBI
C2H4O3
KEGG_COMPOUND
Glycollic acid
ChemIDplus
HOCH2COOH
NIST_Chemistry_WebBook
Hydroxyacetic acid
KEGG_COMPOUND
Hydroxyethanoic acid
ChemIDplus
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
ChEBI
OCC(O)=O
ChEBI
alpha-Hydroxyacetic acid
HMDB
alpha-hydroxyacetic acid
NIST_Chemistry_WebBook
A pseudohalide anion that is the conjugate base of hydrogen cyanide.
CHEBI:14038
CHEBI:3969
CHEBI:41780
Beilstein:1900509
CAS:57-12-5
Gmelin:89
HMDB:HMDB02084
KEGG:C00177
MetaCyc:CPD-13584
PDBeChem:CYN
PMID:11386635
PMID:14871577
PMID:17554165
PMID:7839575
Reaxys:1900509
Wikipedia:Cyanide
Cyanide
cyanide
nitridocarbonate(1-)
chebi_ontology
-1
26.003
26.01740
CN
CN(-)
CN-
CYANIDE ION
InChI=1S/CN/c1-2/q-1
Prussiate
XFXPMWWXUTWYJX-UHFFFAOYSA-N
Zyanid
[C-]#N
CHEBI:17514
cyanide
Beilstein:1900509
Beilstein
CAS:57-12-5
ChemIDplus
CAS:57-12-5
KEGG COMPOUND
CAS:57-12-5
NIST Chemistry WebBook
Gmelin:89
Gmelin
PMID:11386635
Europe PMC
PMID:14871577
Europe PMC
PMID:17554165
Europe PMC
PMID:7839575
Europe PMC
Reaxys:1900509
Reaxys
Cyanide
ChEBI
Cyanide
KEGG_COMPOUND
cyanide
IUPAC
cyanide
UniProt
nitridocarbonate(1-)
IUPAC
-1
ChEBI
26.003
KEGG_COMPOUND
26.01740
ChEBI
CN
KEGG_COMPOUND
CN(-)
IUPAC
CN-
KEGG_COMPOUND
CYANIDE ION
PDBeChem
InChI=1S/CN/c1-2/q-1
ChEBI
Prussiate
KEGG_COMPOUND
XFXPMWWXUTWYJX-UHFFFAOYSA-N
ChEBI
Zyanid
ChEBI
[C-]#N
ChEBI
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).
CHEBI:13754
CHEBI:22298
CHEBI:2556
KEGG:C00717
Wikipedia:Glycerin
Alditol
chebi_ontology
(CH2O)nC2H6O2
0
Glycitol
Sugar alcohol
alditols
CHEBI:17522
alditol
Alditol
KEGG_COMPOUND
(CH2O)nC2H6O2
ChEBI
0
ChEBI
Glycitol
KEGG_COMPOUND
Sugar alcohol
KEGG_COMPOUND
alditols
ChEBI
The carbon oxoanion resulting from the removal of a proton from carbonic acid.
CHEBI:13363
CHEBI:22863
CHEBI:40961
CHEBI:5589
Beilstein:3903504
CAS:71-52-3
Gmelin:49249
HMDB:HMDB00595
KEGG:C00288
PDBeChem:BCT
Hydrogencarbonate
hydrogen(trioxidocarbonate)(1-)
hydrogencarbonate
hydrogencarbonate(1-)
hydrogentrioxocarbonate(1-)
hydrogentrioxocarbonate(IV)
hydroxidodioxidocarbonate(1-)
chebi_ontology
-1
60.993
61.01684
Acid carbonate
BICARBONATE ION
BVKZGUZCCUSVTD-UHFFFAOYSA-M
Bicarbonate
CHO3
HCO3(-)
HCO3-
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
OC([O-])=O
[CO2(OH)](-)
CHEBI:17544
hydrogencarbonate
Beilstein:3903504
Beilstein
CAS:71-52-3
ChemIDplus
Gmelin:49249
Gmelin
Hydrogencarbonate
KEGG_COMPOUND
hydrogen(trioxidocarbonate)(1-)
IUPAC
hydrogencarbonate
IUPAC
hydrogencarbonate
UniProt
hydrogencarbonate(1-)
IUPAC
hydrogentrioxocarbonate(1-)
IUPAC
hydrogentrioxocarbonate(IV)
IUPAC
hydroxidodioxidocarbonate(1-)
IUPAC
-1
ChEBI
60.993
KEGG_COMPOUND
61.01684
ChEBI
Acid carbonate
KEGG_COMPOUND
BICARBONATE ION
PDBeChem
BVKZGUZCCUSVTD-UHFFFAOYSA-M
ChEBI
Bicarbonate
KEGG_COMPOUND
CHO3
KEGG_COMPOUND
HCO3(-)
IUPAC
HCO3-
KEGG_COMPOUND
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
ChEBI
OC([O-])=O
ChEBI
[CO2(OH)](-)
IUPAC
An optically active form of cysteine having L-configuration.
CHEBI:13095
CHEBI:21261
CHEBI:41227
CHEBI:41700
CHEBI:41768
CHEBI:41781
CHEBI:41811
CHEBI:6207
Beilstein:1721408
CAS:52-90-4
DrugBank:DB00151
Drug_Central:769
ECMDB:ECMDB00574
Gmelin:49991
HMDB:HMDB00574
KEGG:C00097
KEGG:D00026
KNApSAcK:C00001351
MetaCyc:CYS
PDBeChem:CYS
PMID:11732994
PMID:13761469
PMID:22735334
Reaxys:1721408
Wikipedia:Cysteine
YMDB:YMDB00046
L-Cysteine
L-cysteine
chebi_ontology
(2R)-2-amino-3-mercaptopropanoic acid
(2R)-2-amino-3-sulfanylpropanoic acid
(R)-2-amino-3-mercaptopropanoic acid
0
121.020
121.15800
C
C3H7NO2S
CYSTEINE
Cys
E 920
E-920
E920
FREE CYSTEINE
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
L-2-Amino-3-mercaptopropionic acid
L-Cystein
L-Zystein
N[C@@H](CS)C(O)=O
XUJNEKJLAYXESH-REOHCLBHSA-N
CHEBI:17561
L-cysteine
Beilstein:1721408
Beilstein
CAS:52-90-4
ChemIDplus
CAS:52-90-4
KEGG COMPOUND
CAS:52-90-4
NIST Chemistry WebBook
Drug_Central:769
DrugCentral
Gmelin:49991
Gmelin
PMID:11732994
Europe PMC
PMID:13761469
Europe PMC
PMID:22735334
Europe PMC
Reaxys:1721408
Reaxys
L-Cysteine
KEGG_COMPOUND
L-cysteine
IUPAC
(2R)-2-amino-3-mercaptopropanoic acid
JCBN
(2R)-2-amino-3-sulfanylpropanoic acid
IUPAC
(R)-2-amino-3-mercaptopropanoic acid
NIST_Chemistry_WebBook
0
ChEBI
121.020
ChEBI
121.15800
ChEBI
C
ChEBI
C3H7NO2S
ChEBI
CYSTEINE
PDBeChem
Cys
ChEBI
E 920
ChEBI
E-920
ChEBI
E920
ChEBI
FREE CYSTEINE
PDBeChem
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
ChEBI
L-2-Amino-3-mercaptopropionic acid
KEGG_COMPOUND
L-Cystein
ChEBI
L-Zystein
ChEBI
N[C@@H](CS)C(O)=O
ChEBI
XUJNEKJLAYXESH-REOHCLBHSA-N
ChEBI
A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond.
CHEBI:14063
CHEBI:23515
CHEBI:4053
CHEBI:41649
CHEBI:41686
CHEBI:41704
Beilstein:89173
CAS:65-46-3
DrugBank:DB02097
Gmelin:84763
HMDB:HMDB00089
KEGG:C00475
KEGG:D07769
MetaCyc:CYTIDINE
PDBeChem:CTN
PMID:12591866
PMID:15621516
PMID:19194376
Reaxys:89173
Wikipedia:Cytidine
Cytidine
cytidine
chebi_ontology
0
1-beta-D-Ribofuranosylcytosine
1beta-D-ribofuranosylcytosine
243.086
243.21674
4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
4-amino-1-beta-D-ribofuranosylpyrimidin-2(1H)-one
4-amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone
C9H13N3O5
Cyd
Cytidin
Cytosine riboside
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
UHDGCWIWMRVCDJ-XVFCMESISA-N
Zytidin
cytosine-1beta-D-Ribofuranoside
CHEBI:17562
cytidine
Beilstein:89173
Beilstein
CAS:65-46-3
ChemIDplus
CAS:65-46-3
KEGG COMPOUND
CAS:65-46-3
NIST Chemistry WebBook
Gmelin:84763
Gmelin
PMID:12591866
Europe PMC
PMID:15621516
Europe PMC
PMID:19194376
Europe PMC
Reaxys:89173
Reaxys
Cytidine
KEGG_COMPOUND
cytidine
IUPAC
cytidine
UniProt
0
ChEBI
1-beta-D-Ribofuranosylcytosine
HMDB
1beta-D-ribofuranosylcytosine
NIST_Chemistry_WebBook
243.086
KEGG_COMPOUND
243.21674
ChEBI
4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
PDBeChem
4-amino-1-beta-D-ribofuranosylpyrimidin-2(1H)-one
ChEBI
4-amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone
NIST_Chemistry_WebBook
C9H13N3O5
KEGG_COMPOUND
Cyd
CBN
Cytidin
ChEBI
Cytosine riboside
HMDB
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
ChEBI
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
ChEBI
UHDGCWIWMRVCDJ-XVFCMESISA-N
ChEBI
Zytidin
ChEBI
cytosine-1beta-D-Ribofuranoside
HMDB
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.
CHEBI:15288
CHEBI:27210
CHEBI:46375
CHEBI:9882
Beilstein:606623
CAS:66-22-8
DrugBank:DB03419
Gmelin:2896
HMDB:HMDB00300
KEGG:C00106
KEGG:D00027
KNApSAcK:C00001513
MetaCyc:URACIL
PDBeChem:URA
PMID:11279060
PMID:12855717
PMID:15274295
PMID:16834123
PMID:17439666
PMID:18533995
PMID:18815805
PMID:19175333
PMID:22020693
PMID:22074393
PMID:22120518
PMID:22171528
PMID:22237209
PMID:22299724
PMID:22356544
PMID:22447672
PMID:22483865
PMID:22567906
PMID:22685418
PMID:3654008
Reaxys:606623
Wikipedia:Uracil
URACIL
Uracil
pyrimidine-2,4(1H,3H)-dione
uracil
chebi_ontology
0
112.027
112.08684
2,4(1H,3H)-pyrimidinedione
2,4-Dioxopyrimidine
2,4-Pyrimidinedione
C4H4N2O2
ISAKRJDGNUQOIC-UHFFFAOYSA-N
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
O=c1cc[nH]c(=O)[nH]1
U
Ura
Urazil
CHEBI:17568
uracil
Beilstein:606623
Beilstein
CAS:66-22-8
ChemIDplus
CAS:66-22-8
KEGG COMPOUND
CAS:66-22-8
NIST Chemistry WebBook
Gmelin:2896
Gmelin
PMID:11279060
Europe PMC
PMID:12855717
Europe PMC
PMID:15274295
Europe PMC
PMID:16834123
Europe PMC
PMID:17439666
Europe PMC
PMID:18533995
Europe PMC
PMID:18815805
Europe PMC
PMID:19175333
Europe PMC
PMID:22020693
Europe PMC
PMID:22074393
Europe PMC
PMID:22120518
Europe PMC
PMID:22171528
Europe PMC
PMID:22237209
Europe PMC
PMID:22299724
Europe PMC
PMID:22356544
Europe PMC
PMID:22447672
Europe PMC
PMID:22483865
Europe PMC
PMID:22567906
Europe PMC
PMID:22685418
Europe PMC
PMID:3654008
Europe PMC
Reaxys:606623
Reaxys
URACIL
PDBeChem
Uracil
KEGG_COMPOUND
pyrimidine-2,4(1H,3H)-dione
IUPAC
uracil
UniProt
0
ChEBI
112.027
KEGG_COMPOUND
112.08684
ChEBI
2,4(1H,3H)-pyrimidinedione
NIST_Chemistry_WebBook
2,4-Dioxopyrimidine
HMDB
2,4-Pyrimidinedione
HMDB
C4H4N2O2
KEGG_COMPOUND
ISAKRJDGNUQOIC-UHFFFAOYSA-N
ChEBI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
ChEBI
O=c1cc[nH]c(=O)[nH]1
ChEBI
U
ChEBI
Ura
CBN
Urazil
ChEBI
The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
CHEBI:15248
CHEBI:27022
CHEBI:44023
CHEBI:9624
Beilstein:635760
CAS:108-88-3
DrugBank:DB01900
Gmelin:2456
KEGG:C01455
PDBeChem:MBN
PMID:11182169
PMID:11314682
PMID:11846266
PMID:11991009
PMID:12062755
PMID:12213539
PMID:12237258
PMID:12784113
PMID:12876426
PMID:14512097
PMID:14559343
PMID:14605898
PMID:15015825
PMID:15019953
PMID:15119846
PMID:15193425
PMID:15542760
PMID:15567510
PMID:15695158
PMID:15796064
PMID:16316648
PMID:16348226
PMID:16601996
PMID:17145141
PMID:17175136
PMID:17497535
PMID:17725881
PMID:18397809
PMID:18832024
PMID:19261054
PMID:19384711
PMID:19429395
PMID:19635754
PMID:19765629
PMID:19825861
PMID:19928203
PMID:19969016
PMID:20347282
PMID:20837561
PMID:21430649
PMID:21655021
PMID:21731073
PMID:21802510
PMID:21840036
Reaxys:635760
UM-BBD_compID:c0114
Wikipedia:Toluene
TOLUENE
Toluene
toluene
chebi_ontology
0
92.063
92.13842
C7H8
Cc1ccccc1
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Toluen
Toluol
YXFVVABEGXRONW-UHFFFAOYSA-N
methylbenzene
phenylmethane
CHEBI:17578
toluene
Beilstein:635760
Beilstein
CAS:108-88-3
ChemIDplus
CAS:108-88-3
KEGG COMPOUND
CAS:108-88-3
NIST Chemistry WebBook
Gmelin:2456
Gmelin
PMID:11182169
Europe PMC
PMID:11314682
Europe PMC
PMID:11846266
Europe PMC
PMID:11991009
Europe PMC
PMID:12062755
Europe PMC
PMID:12213539
Europe PMC
PMID:12237258
Europe PMC
PMID:12784113
Europe PMC
PMID:12876426
Europe PMC
PMID:14512097
Europe PMC
PMID:14559343
Europe PMC
PMID:14605898
Europe PMC
PMID:15015825
Europe PMC
PMID:15019953
Europe PMC
PMID:15119846
Europe PMC
PMID:15193425
Europe PMC
PMID:15542760
Europe PMC
PMID:15567510
Europe PMC
PMID:15695158
Europe PMC
PMID:15796064
Europe PMC
PMID:16316648
Europe PMC
PMID:16348226
Europe PMC
PMID:16601996
Europe PMC
PMID:17145141
Europe PMC
PMID:17175136
Europe PMC
PMID:17497535
Europe PMC
PMID:17725881
Europe PMC
PMID:18397809
Europe PMC
PMID:18832024
Europe PMC
PMID:19261054
Europe PMC
PMID:19384711
Europe PMC
PMID:19429395
Europe PMC
PMID:19635754
Europe PMC
PMID:19765629
Europe PMC
PMID:19825861
Europe PMC
PMID:19928203
Europe PMC
PMID:19969016
Europe PMC
PMID:20347282
Europe PMC
PMID:20837561
Europe PMC
PMID:21430649
Europe PMC
PMID:21655021
Europe PMC
PMID:21731073
Europe PMC
PMID:21802510
Europe PMC
PMID:21840036
Europe PMC
Reaxys:635760
Reaxys
UM-BBD_compID:c0114
UM-BBD
TOLUENE
PDBeChem
Toluene
KEGG_COMPOUND
toluene
ChEBI
toluene
IUPAC
toluene
UniProt
0
ChEBI
92.063
KEGG_COMPOUND
92.13842
ChEBI
C7H8
KEGG_COMPOUND
Cc1ccccc1
ChEBI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
ChEBI
Toluen
NIST_Chemistry_WebBook
Toluol
NIST_Chemistry_WebBook
YXFVVABEGXRONW-UHFFFAOYSA-N
ChEBI
methylbenzene
PDBeChem
phenylmethane
ChemIDplus
Homocysteine with L configuration.
CHEBI:13122
CHEBI:21329
CHEBI:43117
CHEBI:6245
CAS:6027-13-0
DrugBank:DB04422
HMDB:HMDB00742
KEGG:C00155
KNApSAcK:C00001365
MetaCyc:HOMO-CYS
PDBeChem:HCS
PMID:11686577
PMID:15131313
PMID:15365276
PMID:16702349
PMID:19383686
Reaxys:1721685
(2S)-2-amino-4-sulfanylbutanoic acid
L-Homocysteine
L-homocysteine
chebi_ontology
0
135.035
135.18500
C4H9NO2S
FFFHZYDWPBMWHY-VKHMYHEASA-N
Hcy
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
L-2-Amino-4-mercaptobutyric acid
L-2-amino-4-mercaptobutyric acid
N[C@@H](CCS)C(O)=O
CHEBI:17588
L-homocysteine
CAS:6027-13-0
ChemIDplus
CAS:6027-13-0
KEGG COMPOUND
PMID:11686577
Europe PMC
PMID:15131313
Europe PMC
PMID:15365276
Europe PMC
PMID:16702349
Europe PMC
PMID:19383686
Europe PMC
Reaxys:1721685
Reaxys
(2S)-2-amino-4-sulfanylbutanoic acid
IUPAC
L-Homocysteine
KEGG_COMPOUND
L-homocysteine
ChEBI
0
ChEBI
135.035
KEGG_COMPOUND
135.18500
ChEBI
C4H9NO2S
KEGG_COMPOUND
FFFHZYDWPBMWHY-VKHMYHEASA-N
ChEBI
Hcy
ChEBI
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
ChEBI
L-2-Amino-4-mercaptobutyric acid
KEGG_COMPOUND
L-2-amino-4-mercaptobutyric acid
ChEBI
N[C@@H](CCS)C(O)=O
ChEBI
A glucooligosaccharide derived from glucose monomers linked via alpha-D-1,4 bonds as in maltose. The term is commonly applied to the series of linear oligosaccharides composed of two, three, four, five and six such units of glucose.
CHEBI:11169
CHEBI:18926
CHEBI:543
CHEBI:64478
chebi_ontology
(1->4)-alpha-D-glucooligosaccharides
maltooligosaccharides
CHEBI:17593
maltooligosaccharide
(1->4)-alpha-D-glucooligosaccharides
ChEBI
maltooligosaccharides
ChEBI
A purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond.
CHEBI:14456
CHEBI:24841
CHEBI:44407
CHEBI:5927
Beilstein:624889
CAS:58-63-9
Drug_Central:3301
ECMDB:ECMDB00195
Gmelin:489332
HMDB:HMDB00195
KEGG:C00294
KEGG:D00054
KNApSAcK:C00019692
MetaCyc:INOSINE
PDBeChem:NOS
PMID:22770225
Reaxys:624889
Wikipedia:Inosine
YMDB:YMDB00510
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol
9-(beta-D-ribofuranosyl)-9H-purin-6-ol
INOSINE
Inosine
inosine
chebi_ontology
0
268.081
268.22610
9-beta-D-ribofuranosyl-9H-purin-6-ol
9-beta-D-ribofuranosylhypoxanthine
C10H12N4O5
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
Inosin
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12
UGQMRVRMYYASKQ-KQYNXXCUSA-N
hypoxanthine D-riboside
hypoxanthosine
i
inosina
inosine
inosinum
CHEBI:17596
inosine
Beilstein:624889
Beilstein
CAS:58-63-9
ChemIDplus
CAS:58-63-9
KEGG COMPOUND
CAS:58-63-9
NIST Chemistry WebBook
Drug_Central:3301
DrugCentral
Gmelin:489332
Gmelin
PMID:22770225
Europe PMC
Reaxys:624889
Reaxys
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol
IUPAC
9-(beta-D-ribofuranosyl)-9H-purin-6-ol
IUPAC
INOSINE
PDBeChem
Inosine
KEGG_COMPOUND
inosine
IUPAC
inosine
UniProt
0
ChEBI
268.081
KEGG_COMPOUND
268.22610
ChEBI
9-beta-D-ribofuranosyl-9H-purin-6-ol
IUPAC
9-beta-D-ribofuranosylhypoxanthine
NIST_Chemistry_WebBook
C10H12N4O5
KEGG_COMPOUND
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
ChEBI
Inosin
ChEBI
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12
ChEBI
UGQMRVRMYYASKQ-KQYNXXCUSA-N
ChEBI
hypoxanthine D-riboside
ChemIDplus
hypoxanthosine
ChemIDplus
i
ChEBI
inosina
ChemIDplus
inosine
ChemIDplus
inosinum
ChemIDplus
Any D-aldose having a chain of six carbon atoms in the molecule.
CHEBI:12990
CHEBI:21038
D-aldohexose
chebi_ontology
C6H12O6
D-aldohexoses
CHEBI:17608
D-aldohexose
D-aldohexose
UniProt
C6H12O6
ChEBI
D-aldohexoses
ChEBI
A a deoxyketohexose comprising L-tagatose with the hydroxy group at position 6 replaced by hydrogen.
CHEBI:13103
CHEBI:21295
CHEBI:58208
CHEBI:6219
KEGG:C01721
KNApSAcK:C00019650
6-deoxy-L-tagatose
L-Fuculose
L-fuculose
chebi_ontology
0
164.068
164.15650
6-deoxy-L-lyxo-hex-2-ulose
C6H12O5
C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1
QZNPNKJXABGCRC-LFRDXLMFSA-N
CHEBI:17617
L-fuculose
6-deoxy-L-tagatose
IUPAC
L-Fuculose
KEGG_COMPOUND
L-fuculose
UniProt
0
ChEBI
164.068
KEGG_COMPOUND
164.15650
ChEBI
6-deoxy-L-lyxo-hex-2-ulose
IUPAC
C6H12O5
KEGG_COMPOUND
C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ChEBI
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1
ChEBI
QZNPNKJXABGCRC-LFRDXLMFSA-N
ChEBI
CHEBI:14487
CHEBI:24945
CHEBI:24947
CHEBI:43482
CHEBI:6106
Beilstein:61647
CAS:59-01-8
DrugBank:DB01172
Drug_Central:1519
Gmelin:2044856
KEGG:C01822
LINCS:LSM-5261
PDBeChem:KAN
PMID:22907688
PMID:24336356
PMID:24566637
Wikipedia:Kanamycin
(1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
KANAMYCIN A
Kanamycin A
chebi_ontology
0
4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside
4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside
484.238
484.49860
C18H36N4O11
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine
SBUJHOSQTJFQJX-NOAMYHISSA-N
CHEBI:17630
kanamycin A
Beilstein:61647
Beilstein
CAS:59-01-8
ChemIDplus
CAS:59-01-8
KEGG COMPOUND
Drug_Central:1519
DrugCentral
Gmelin:2044856
Gmelin
PMID:22907688
Europe PMC
PMID:24336356
Europe PMC
PMID:24566637
Europe PMC
(1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
IUPAC
KANAMYCIN A
PDBeChem
Kanamycin A
KEGG_COMPOUND
0
ChEBI
4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside
ChemIDplus
4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside
ChemIDplus
484.238
KEGG_COMPOUND
484.49860
ChEBI
C18H36N4O11
KEGG_COMPOUND
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
ChEBI
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine
ChemIDplus
SBUJHOSQTJFQJX-NOAMYHISSA-N
ChEBI
A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3.
CHEBI:14654
CHEBI:44487
CHEBI:71263
Beilstein:3587575
CAS:14797-55-8
Gmelin:1574
MetaCyc:NITRATE
PDBeChem:NO3
Wikipedia:Nitrate
colombos:NITRATE
nitrate
trioxidonitrate(1-)
trioxonitrate(1-)
trioxonitrate(V)
chebi_ontology
-1
61.988
62.00490
InChI=1S/NO3/c2-1(3)4/q-1
NHNBFGGVMKEFGY-UHFFFAOYSA-N
NITRATE ION
NO3
NO3(-)
[NO3](-)
[O-][N+]([O-])=O
nitrate(1-)
CHEBI:17632
nitrate
Beilstein:3587575
Beilstein
CAS:14797-55-8
ChemIDplus
CAS:14797-55-8
NIST Chemistry WebBook
Gmelin:1574
Gmelin
MetaCyc:NITRATE
SUBMITTER
nitrate
IUPAC
nitrate
UniProt
trioxidonitrate(1-)
IUPAC
trioxonitrate(1-)
IUPAC
trioxonitrate(V)
IUPAC
-1
ChEBI
61.988
ChEBI
62.00490
ChEBI
InChI=1S/NO3/c2-1(3)4/q-1
ChEBI
NHNBFGGVMKEFGY-UHFFFAOYSA-N
ChEBI
NITRATE ION
PDBeChem
NO3
ChEBI
NO3
ChEBI
NO3(-)
IUPAC
[NO3](-)
IUPAC
[O-][N+]([O-])=O
ChEBI
nitrate(1-)
ChemIDplus
A glucose with D-configuration.
CHEBI:12965
CHEBI:20999
CAS:50-99-7
D-gluco-hexose
D-glucose
chebi_ontology
0
180.15588
C6H12O6
D(+)-glucose
D-(+)-glucose
Traubenzucker
dextrose
grape sugar
CHEBI:17634
D-glucose
CAS:50-99-7
ChemIDplus
CAS:50-99-7
NIST Chemistry WebBook
D-gluco-hexose
IUPAC
D-glucose
IUPAC
0
ChEBI
180.15588
ChEBI
C6H12O6
ChEBI
D(+)-glucose
ChemIDplus
D-(+)-glucose
NIST_Chemistry_WebBook
Traubenzucker
ChemIDplus
dextrose
NIST_Chemistry_WebBook
grape sugar
ChemIDplus
A C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the "stress hormone" as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses
CHEBI:14023
CHEBI:24633
CHEBI:3893
CHEBI:58221
Beilstein:1354819
CAS:50-23-7
DrugBank:DB00741
Drug_Central:1388
KEGG:C00735
KEGG:D00088
LINCS:LSM-5980
LIPID_MAPS_instance:LMST02030001
PDBeChem:HCY
PMID:10438974
PMID:2268561
Patent:US2602769
Wikipedia:Hydrocortisone
colombos:HYDROCORTISONE
11beta,17,21-trihydroxypregn-4-ene-3,20-dione
Cortisol
cortisol
chebi_ontology
(11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
0
11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione
11beta-hydrocortisone
17-hydroxycorticosterone
362.209
362.45990
4-pregnen-11beta,17alpha,21-triol-3,20-dione
C21H30O5
Hydrocortisone
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
JYGXADMDTFJGBT-VWUMJDOOSA-N
Kendall's compound F
Reichstein's substance M
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
hidrocortisona
hydrocortisone
hydrocortisonum
CHEBI:17650
cortisol
Beilstein:1354819
Beilstein
CAS:50-23-7
ChemIDplus
CAS:50-23-7
KEGG COMPOUND
CAS:50-23-7
NIST Chemistry WebBook
Drug_Central:1388
DrugCentral
LIPID_MAPS_instance:LMST02030001
LIPID MAPS
PMID:10438974
Europe PMC
PMID:2268561
Europe PMC
11beta,17,21-trihydroxypregn-4-ene-3,20-dione
IUPAC
Cortisol
KEGG_COMPOUND
cortisol
UniProt
(11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
NIST_Chemistry_WebBook
0
ChEBI
11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
KEGG_COMPOUND
11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione
NIST_Chemistry_WebBook
11beta-hydrocortisone
NIST_Chemistry_WebBook
17-hydroxycorticosterone
ChemIDplus
362.209
KEGG_COMPOUND
362.45990
ChEBI
4-pregnen-11beta,17alpha,21-triol-3,20-dione
NIST_Chemistry_WebBook
C21H30O5
KEGG_COMPOUND
Hydrocortisone
KEGG_COMPOUND
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
ChEBI
JYGXADMDTFJGBT-VWUMJDOOSA-N
ChEBI
Kendall's compound F
KEGG_COMPOUND
Reichstein's substance M
KEGG_COMPOUND
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
ChEBI
hidrocortisona
ChemIDplus
hydrocortisone
ChemIDplus
hydrocortisonum
ChemIDplus
CHEBI:15046
CHEBI:26557
CHEBI:8845
KEGG:C03723
Ribonucleoside diphosphate
ribonucleoside diphosphate
chebi_ontology
0
292.983
293.083
C5H11O10P2R
ribonucleoside diphosphates
CHEBI:17668
ribonucleoside diphosphate
Ribonucleoside diphosphate
KEGG_COMPOUND
ribonucleoside diphosphate
UniProt
0
KEGG_COMPOUND
292.983
KEGG_COMPOUND
293.083
KEGG_COMPOUND
C5H11O10P2R
KEGG_COMPOUND
ribonucleoside diphosphates
ChEBI
CHEBI:13286
CHEBI:23522
CHEBI:3285
CHEBI:41675
Beilstein:71190
CAS:65-47-4
DrugBank:DB02431
Gmelin:723598
KEGG:C00063
KNApSAcK:C00019639
PDBeChem:CTP
CTP
cytidine 5'-(tetrahydrogen triphosphate)
chebi_ontology
0
482.985
483.15644
5'-CTP
C9H16N3O14P3
CYTIDINE-5'-TRIPHOSPHATE
Cytidine 5'-triphosphate
Cytidine triphosphate
H4ctp
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
PCDQPRRSZKQHHS-XVFCMESISA-N
CHEBI:17677
CTP
Beilstein:71190
Beilstein
CAS:65-47-4
ChemIDplus
CAS:65-47-4
KEGG COMPOUND
Gmelin:723598
Gmelin
CTP
KEGG_COMPOUND
cytidine 5'-(tetrahydrogen triphosphate)
IUPAC
0
ChEBI
482.985
KEGG_COMPOUND
483.15644
ChEBI
5'-CTP
ChemIDplus
C9H16N3O14P3
KEGG_COMPOUND
CYTIDINE-5'-TRIPHOSPHATE
PDBeChem
Cytidine 5'-triphosphate
KEGG_COMPOUND
Cytidine triphosphate
KEGG_COMPOUND
H4ctp
ChEBI
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
ChEBI
Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
ChEBI
PCDQPRRSZKQHHS-XVFCMESISA-N
ChEBI
A bile acid glycine conjugate having cholic acid as the bile acid component.
CHEBI:11894
CHEBI:20215
CHEBI:24378
CHEBI:42804
CHEBI:5464
Beilstein:2955826
CAS:475-31-0
DrugBank:DB02691
HMDB:HMDB00138
KEGG:C01921
KNApSAcK:C00030410
LINCS:LSM-3222
LIPID_MAPS_instance:LMST05030001
MetaCyc:GLYCOCHOLIC_ACID
PDBeChem:GCH
PMID:22770225
Reaxys:2955826
Wikipedia:Glycocholic_acid
GLYCOCHOLIC ACID
Glycocholic acid
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine
chebi_ontology
0
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine
465.309
465.62270
C26H43NO6
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
N-choloylglycine
RFDAIACWWDREDC-FRVQLJSFSA-N
CHEBI:17687
glycocholic acid
Beilstein:2955826
Beilstein
CAS:475-31-0
ChemIDplus
CAS:475-31-0
KEGG COMPOUND
CAS:475-31-0
NIST Chemistry WebBook
LIPID_MAPS_instance:LMST05030001
LIPID MAPS
PMID:22770225
Europe PMC
Reaxys:2955826
Reaxys
GLYCOCHOLIC ACID
PDBeChem
Glycocholic acid
KEGG_COMPOUND
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine
IUPAC
0
ChEBI
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine
KEGG_COMPOUND
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine
ChEBI
465.309
ChEBI
465.309
KEGG_COMPOUND
465.62270
ChEBI
C26H43NO6
ChEBI
C26H43NO6
KEGG_COMPOUND
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEBI
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
ChEBI
N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
NIST_Chemistry_WebBook
N-choloylglycine
ChemIDplus
RFDAIACWWDREDC-FRVQLJSFSA-N
ChEBI
An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions.
CHEBI:13965
CHEBI:23106
CHEBI:23108
CHEBI:3603
CHEBI:47327
Beilstein:2225532
CAS:56-75-7
DrugBank:DB00446
Drug_Central:589
KEGG:C00918
KEGG:D00104
LINCS:LSM-5256
PDBeChem:CLM
PMID:11468347
PMID:12217690
PMID:16659995
PMID:16897441
PMID:17217404
PMID:17692887
PMID:18559535
PMID:18657290
PMID:18794387
PMID:23142491
PMID:23317719
PMID:23395526
PMID:23494278
PMID:23512826
PMID:657786
PMID:6653106
Patent:GB795131
Patent:GB796901
Patent:US2483871
Patent:US2483884
Patent:US2483892
Patent:US2839577
Wikipedia:Chloramphenicol
colombos:CHLORAMFENICOL
colombos:CHLORAMFENICOL:+UNKNOWN
2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
CHLORAMPHENICOL
Chloramphenicol
chloramphenicol
chebi_ontology
0
322.012
323.130
C11H12Cl2N2O5
C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O
Chloramex
Chlorocid
Chlorocol
Chloromycetin
D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide
D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol
Fenicol
Globenicol
Halomycetin
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
Oleomycetin
Sificetina
WIIZWVCIJKGZOK-RKDXNWHRSA-N
chloramphenicol
chloramphenicolum
chlornitromycin
cloramfenicol
laevomycetinum
levomicetina
levomycetin
CHEBI:17698
chloramphenicol
Beilstein:2225532
Beilstein
CAS:56-75-7
ChemIDplus
CAS:56-75-7
KEGG COMPOUND
Drug_Central:589
DrugCentral
PMID:11468347
Europe PMC
PMID:12217690
Europe PMC
PMID:16659995
Europe PMC
PMID:16897441
Europe PMC
PMID:17217404
Europe PMC
PMID:17692887
Europe PMC
PMID:18559535
Europe PMC
PMID:18657290
Europe PMC
PMID:18794387
Europe PMC
PMID:23142491
Europe PMC
PMID:23317719
Europe PMC
PMID:23395526
Europe PMC
PMID:23494278
Europe PMC
PMID:23512826
Europe PMC
PMID:657786
Europe PMC
PMID:6653106
Europe PMC
2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
IUPAC
CHLORAMPHENICOL
PDBeChem
Chloramphenicol
KEGG_COMPOUND
chloramphenicol
UniProt
0
ChEBI
322.012
ChEBI
322.012
KEGG_COMPOUND
323.130
ChEBI
C11H12Cl2N2O5
ChEBI
C11H12Cl2N2O5
KEGG_COMPOUND
C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O
ChEBI
Chloramex
ChemIDplus
Chlorocid
ChemIDplus
Chlorocol
ChemIDplus
Chloromycetin
ChemIDplus
D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide
ChemIDplus
D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol
ChemIDplus
Fenicol
ChemIDplus
Globenicol
ChemIDplus
Halomycetin
ChemIDplus
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
ChEBI
Oleomycetin
ChemIDplus
Sificetina
ChemIDplus
WIIZWVCIJKGZOK-RKDXNWHRSA-N
ChEBI
chloramphenicol
ChEBI
chloramphenicol
ChemIDplus
chloramphenicolum
ChemIDplus
chlornitromycin
ChEBI
cloramfenicol
ChemIDplus
laevomycetinum
ChemIDplus
levomicetina
ChemIDplus
levomycetin
ChemIDplus
A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.
CHEBI:10296
CHEBI:10380
CHEBI:14497
CHEBI:22460
CHEBI:22760
CHEBI:25005
CHEBI:27755
CHEBI:613009
Beilstein:1292745
CAS:63-42-3
Gmelin:882872
KEGG:C00243
KEGG:D00046
KEGG:G10504
KNApSAcK:C00001136
PMID:1292745
PMID:17329833
PMID:18300214
PMID:19053747
PMID:19846069
PMID:19913595
PMID:20094999
PMID:20503067
PMID:20699559
PMID:20873837
PMID:20961532
PMID:21403918
PMID:2432147
PMID:2456994
PMID:6194884
PMID:7574700
Reaxys:1292745
colombos:LACTOSE
beta-D-galactopyranosyl-(1->4)-D-glucopyranose
lactose
chebi_ontology
(+)-lactose
(Gal)1 (Glc)1
0
1-beta-D-Galactopyranosyl-4-D-glucopyranose
342.116
342.29648
4-(beta-D-galactosido)-D-glucose
4-O-beta-D-galactopyranosyl-D-glucose
C12H22O11
D-lactose
GUBGYTABKSRVRQ-QKKXKWKRSA-N
Galbeta1-4-Glc
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1
Lac
Laktobiose
Laktose
Milchzucker
Milk sugar
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
beta-D-Gal-(1->4)-D-Glc
beta-D-Galp-(1->4)-D-Glcp
beta-Gal1,4-Glc
lactobiose
milk sugar
CHEBI:17716
lactose
Beilstein:1292745
Beilstein
CAS:63-42-3
ChemIDplus
CAS:63-42-3
KEGG COMPOUND
CAS:63-42-3
NIST Chemistry WebBook
Gmelin:882872
Gmelin
PMID:1292745
Europe PMC
PMID:17329833
Europe PMC
PMID:18300214
Europe PMC
PMID:19053747
ChEMBL
PMID:19846069
Europe PMC
PMID:19913595
Europe PMC
PMID:20094999
Europe PMC
PMID:20503067
Europe PMC
PMID:20699559
Europe PMC
PMID:20873837
Europe PMC
PMID:20961532
Europe PMC
PMID:21403918
Europe PMC
PMID:2432147
Europe PMC
PMID:2456994
Europe PMC
PMID:6194884
Europe PMC
PMID:7574700
Europe PMC
Reaxys:1292745
Reaxys
beta-D-galactopyranosyl-(1->4)-D-glucopyranose
IUPAC
lactose
UniProt
(+)-lactose
NIST_Chemistry_WebBook
(Gal)1 (Glc)1
KEGG_GLYCAN
0
ChEBI
1-beta-D-Galactopyranosyl-4-D-glucopyranose
KEGG_COMPOUND
342.116
KEGG_COMPOUND
342.29648
ChEBI
4-(beta-D-galactosido)-D-glucose
NIST_Chemistry_WebBook
4-O-beta-D-galactopyranosyl-D-glucose
IUPAC
C12H22O11
KEGG_COMPOUND
D-lactose
ChemIDplus
GUBGYTABKSRVRQ-QKKXKWKRSA-N
ChEBI
Galbeta1-4-Glc
ChEBI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1
ChEBI
Lac
JCBN
Laktobiose
ChEBI
Laktose
ChEBI
Milchzucker
ChEBI
Milk sugar
KEGG_COMPOUND
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
ChEBI
beta-D-Gal-(1->4)-D-Glc
KEGG_COMPOUND
beta-D-Galp-(1->4)-D-Glcp
IUPAC
beta-Gal1,4-Glc
ChEBI
lactobiose
NIST_Chemistry_WebBook
milk sugar
NIST_Chemistry_WebBook
The amino acid betaine derived from glycine.
CHEBI:13895
CHEBI:15264
CHEBI:22858
CHEBI:24370
CHEBI:27128
CHEBI:3073
Beilstein:3537113
CAS:107-43-7
Drug_Central:347
Gmelin:26434
HMDB:HMDB00043
KEGG:C00719
KEGG:D07523
KNApSAcK:C00007291
MetaCyc:BETAINE
PDBeChem:BET
PMID:16197300
PMID:18326594
PMID:20346934
PMID:20446114
PMID:20642826
PMID:22770225
Reaxys:3537113
Wikipedia:Trimethylglycine
YMDB:YMDB01516
colombos:GLYCINEBETAINE
(trimethylammonio)acetate
Glycine betaine
chebi_ontology
(trimethylammoniumyl)acetate
0
1-carboxy-N,N,N-trimethylmethanaminium inner salt
117.079
117.14638
2-N,N,N-trimethylammonio acetate
Bet
Betaine
C5H11NO2
C[N+](C)(C)CC([O-])=O
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
KWIUHFFTVRNATP-UHFFFAOYSA-N
N,N,N-Trimethylglycine
N,N,N-trimethylammonioacetate
Trimethylaminoacetate
Trimethylammonioacetate
abromine
acidol
betaine
trimethylglycine
trimethylglycocoll
CHEBI:17750
glycine betaine
Beilstein:3537113
Beilstein
CAS:107-43-7
ChemIDplus
CAS:107-43-7
KEGG COMPOUND
CAS:107-43-7
NIST Chemistry WebBook
Drug_Central:347
DrugCentral
Gmelin:26434
Gmelin
PMID:16197300
Europe PMC
PMID:18326594
Europe PMC
PMID:20346934
Europe PMC
PMID:20446114
Europe PMC
PMID:20642826
Europe PMC
PMID:22770225
Europe PMC
Reaxys:3537113
Reaxys
(trimethylammonio)acetate
IUPAC
Glycine betaine
KEGG_COMPOUND
(trimethylammoniumyl)acetate
IUPAC
0
ChEBI
1-carboxy-N,N,N-trimethylmethanaminium inner salt
NIST_Chemistry_WebBook
117.079
KEGG_COMPOUND
117.14638
ChEBI
2-N,N,N-trimethylammonio acetate
ChEBI
Bet
ChEBI
Betaine
KEGG_COMPOUND
C5H11NO2
KEGG_COMPOUND
C[N+](C)(C)CC([O-])=O
ChEBI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
ChEBI
KWIUHFFTVRNATP-UHFFFAOYSA-N
ChEBI
N,N,N-Trimethylglycine
KEGG_COMPOUND
N,N,N-trimethylammonioacetate
IUPAC
Trimethylaminoacetate
KEGG_COMPOUND
Trimethylammonioacetate
KEGG_COMPOUND
abromine
ChemIDplus
acidol
ChEBI
betaine
UniProt
trimethylglycine
ChEBI
trimethylglycocoll
ChemIDplus
A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups.
CHEBI:131422
CHEBI:14334
CHEBI:24351
CHEBI:42998
CHEBI:5448
Beilstein:635685
CAS:56-81-5
DrugBank:DB04077
Drug_Central:1316
ECMDB:ECMDB00131
Gmelin:26279
HMDB:HMDB00131
KEGG:C00116
KEGG:D00028
KNApSAcK:C00001163
LINCS:LSM-37180
MetaCyc:GLYCEROL
PDB:2AJS
PDB:2D03
PDBeChem:GOL
PMID:11958517
PMID:12672239
PMID:12689633
PMID:14559393
PMID:14563847
PMID:15342117
PMID:15786693
PMID:16244855
PMID:16258193
PMID:16319039
PMID:16349488
PMID:16651733
PMID:16664750
PMID:16901854
PMID:17336832
PMID:17439666
PMID:17979222
PMID:19184438
PMID:19231894
PMID:19460032
PMID:19548674
PMID:19795216
PMID:19956799
PMID:22705534
PMID:23562176
PMID:23747440
PMID:24643482
PMID:25108762
PMID:7031247
PMID:7392035
Reaxys:635685
UM-BBD_compID:c0066
Wikipedia:Glycerol
YMDB:YMDB00283
colombos:GLYCEROL
GLYCEROL
Glycerol
glycerol
propane-1,2,3-triol
chebi_ontology
0
1,2,3-Propanetriol
1,2,3-Trihydroxypropane
92.047
92.09382
C3H8O3
Glycerin
Glyceritol
Glyzerin
Gro
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
OCC(O)CO
Oelsuess
PEDCQBHIVMGVHV-UHFFFAOYSA-N
Propanetriol
Trihydroxypropane
glycerine
glycerol
glycerolum
glycyl alcohol
CHEBI:17754
glycerol
Beilstein:635685
Beilstein
CAS:56-81-5
ChemIDplus
CAS:56-81-5
KEGG COMPOUND
CAS:56-81-5
NIST Chemistry WebBook
Drug_Central:1316
DrugCentral
Gmelin:26279
Gmelin
PMID:11958517
Europe PMC
PMID:12672239
ChEMBL
PMID:12689633
Europe PMC
PMID:14559393
Europe PMC
PMID:14563847
Europe PMC
PMID:15342117
Europe PMC
PMID:15786693
Europe PMC
PMID:16244855
Europe PMC
PMID:16258193
Europe PMC
PMID:16319039
Europe PMC
PMID:16349488
Europe PMC
PMID:16651733
Europe PMC
PMID:16664750
Europe PMC
PMID:16901854
Europe PMC
PMID:17336832
Europe PMC
PMID:17439666
Europe PMC
PMID:17979222
Europe PMC
PMID:19184438
Europe PMC
PMID:19231894
Europe PMC
PMID:19460032
Europe PMC
PMID:19548674
Europe PMC
PMID:19795216
Europe PMC
PMID:19956799
Europe PMC
PMID:22705534
Europe PMC
PMID:23562176
Europe PMC
PMID:23747440
Europe PMC
PMID:24643482
Europe PMC
PMID:25108762
Europe PMC
PMID:7031247
ChEMBL
PMID:7392035
ChEMBL
Reaxys:635685
Reaxys
UM-BBD_compID:c0066
UM-BBD
GLYCEROL
PDBeChem
Glycerol
KEGG_COMPOUND
glycerol
ChEBI
glycerol
UniProt
propane-1,2,3-triol
IUPAC
0
ChEBI
1,2,3-Propanetriol
KEGG_COMPOUND
1,2,3-Trihydroxypropane
KEGG_COMPOUND
92.047
KEGG_COMPOUND
92.09382
ChEBI
C3H8O3
KEGG_COMPOUND
Glycerin
KEGG_COMPOUND
Glyceritol
HMDB
Glyzerin
ChEBI
Gro
JCBN
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
ChEBI
OCC(O)CO
ChEBI
Oelsuess
ChEBI
PEDCQBHIVMGVHV-UHFFFAOYSA-N
ChEBI
Propanetriol
HMDB
Trihydroxypropane
HMDB
glycerine
ChEBI
glycerol
ChemIDplus
glycerolum
ChemIDplus
glycyl alcohol
NIST_Chemistry_WebBook
A dicarboxylic acid monoanion that is the conjugate base of pimelic acid.
CHEBI:12209
CHEBI:20708
CHEBI:2175
Gmelin:1449709
6-carboxyhexanoate
chebi_ontology
-1
159.066
159.15984
C7H11O4
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-1
OC(=O)CCCCCC([O-])=O
Pimelate
WLJVNTCWHIRURA-UHFFFAOYSA-M
heptanedioate
hydrogen pimelate
CHEBI:17774
pimelate(1-)
Gmelin:1449709
Gmelin
6-carboxyhexanoate
IUPAC
-1
ChEBI
159.066
ChEBI
159.15984
ChEBI
C7H11O4
ChEBI
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-1
ChEBI
OC(=O)CCCCCC([O-])=O
ChEBI
Pimelate
KEGG_COMPOUND
WLJVNTCWHIRURA-UHFFFAOYSA-M
ChEBI
heptanedioate
ChEBI
hydrogen pimelate
ChEBI
The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.
CHEBI:14588
CHEBI:25227
CHEBI:44080
CHEBI:44553
CHEBI:6816
Beilstein:1098229
CAS:67-56-1
Gmelin:449
HMDB:HMDB01875
KEGG:C00132
KEGG:D02309
MetaCyc:METOH
PDBeChem:MOH
PMID:11141607
PMID:11430978
PMID:11489599
PMID:11680737
PMID:11684179
PMID:14012711
PMID:14678513
PMID:14760634
PMID:15172721
PMID:15906011
PMID:16705261
PMID:17451998
PMID:17733096
PMID:19064074
PMID:19850112
PMID:20314698
Reaxys:1098229
UM-BBD_compID:c0132
Wikipedia:Methanol
METHANOL
Methanol
methanol
chebi_ontology
0
32.026
32.04186
CH3OH
CH4O
CO
InChI=1S/CH4O/c1-2/h2H,1H3
MeOH
Methyl alcohol
Methylalkohol
OKKJLVBELUTLKV-UHFFFAOYSA-N
carbinol
spirit of wood
wood alcohol
wood naphtha
wood spirit
CHEBI:17790
methanol
Beilstein:1098229
Beilstein
CAS:67-56-1
ChemIDplus
CAS:67-56-1
KEGG COMPOUND
CAS:67-56-1
NIST Chemistry WebBook
Gmelin:449
Gmelin
PMID:11141607
Europe PMC
PMID:11430978
Europe PMC
PMID:11489599
Europe PMC
PMID:11680737
Europe PMC
PMID:11684179
Europe PMC
PMID:14012711
Europe PMC
PMID:14678513
Europe PMC
PMID:14760634
Europe PMC
PMID:15172721
Europe PMC
PMID:15906011
Europe PMC
PMID:16705261
Europe PMC
PMID:17451998
Europe PMC
PMID:17733096
Europe PMC
PMID:19064074
Europe PMC
PMID:19850112
Europe PMC
PMID:20314698
Europe PMC
Reaxys:1098229
Reaxys
UM-BBD_compID:c0132
ChEBI
METHANOL
PDBeChem
Methanol
KEGG_COMPOUND
methanol
IUPAC
methanol
UniProt
0
ChEBI
32.026
KEGG_COMPOUND
32.04186
ChEBI
CH3OH
ChEBI
CH4O
KEGG_COMPOUND
CO
ChEBI
InChI=1S/CH4O/c1-2/h2H,1H3
ChEBI
MeOH
ChEBI
Methyl alcohol
KEGG_COMPOUND
Methylalkohol
NIST_Chemistry_WebBook
OKKJLVBELUTLKV-UHFFFAOYSA-N
ChEBI
carbinol
ChemIDplus
spirit of wood
HMDB
wood alcohol
ChemIDplus
wood naphtha
ChemIDplus
wood spirit
NIST_Chemistry_WebBook
An optically active form of idonate having L-configuration; major species at pH 7.3.
CHEBI:13126
CHEBI:21335
CHEBI:57659
CHEBI:58494
CHEBI:6250
Beilstein:3906522
CAS:1114-17-6
KEGG:C00770
MetaCyc:L-IDONATE
L-Idonate
L-idonate
chebi_ontology
-1
195.050
195.14730
C6H11O7
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3+,4-,5+/m0/s1
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
RGHNJXZEOKUKBD-SKNVOMKLSA-M
CHEBI:17796
L-idonate
Beilstein:3906522
Beilstein
CAS:1114-17-6
KEGG COMPOUND
L-Idonate
KEGG_COMPOUND
L-idonate
IUPAC
L-idonate
UniProt
-1
ChEBI
195.050
ChEBI
195.14730
ChEBI
C6H11O7
ChEBI
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3+,4-,5+/m0/s1
ChEBI
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
ChEBI
RGHNJXZEOKUKBD-SKNVOMKLSA-M
ChEBI
A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.
CHEBI:15247
CHEBI:27004
CHEBI:46017
CHEBI:9580
Beilstein:607626
CAS:65-71-4
DrugBank:DB03462
Gmelin:278790
KEGG:C00178
KNApSAcK:C00001511
PDBeChem:TDR
PMID:23237383
Wikipedia:Thymine
colombos:THYMINE
THYMINE
Thymine
thymine
chebi_ontology
0
126.043
126.11342
2,4-dihydroxy-5-methylpyrimidine
5-Methyluracil
5-methyl-2,4(1H,3H)-pyrimidinedione
5-methylpyrimidine-2,4(1H,3H)-dione
5-methyluracil
C5H6N2O2
Cc1c[nH]c(=O)[nH]c1=O
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
RWQNBRDOKXIBIV-UHFFFAOYSA-N
T
Thy
Thymin
CHEBI:17821
thymine
Beilstein:607626
Beilstein
CAS:65-71-4
ChemIDplus
CAS:65-71-4
KEGG COMPOUND
CAS:65-71-4
NIST Chemistry WebBook
Gmelin:278790
Gmelin
PMID:23237383
Europe PMC
THYMINE
PDBeChem
Thymine
KEGG_COMPOUND
thymine
IUPAC
thymine
UniProt
0
ChEBI
126.043
KEGG_COMPOUND
126.11342
ChEBI
2,4-dihydroxy-5-methylpyrimidine
NIST_Chemistry_WebBook
5-Methyluracil
KEGG_COMPOUND
5-methyl-2,4(1H,3H)-pyrimidinedione
NIST_Chemistry_WebBook
5-methylpyrimidine-2,4(1H,3H)-dione
IUPAC
5-methyluracil
NIST_Chemistry_WebBook
C5H6N2O2
KEGG_COMPOUND
Cc1c[nH]c(=O)[nH]c1=O
ChEBI
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
ChEBI
RWQNBRDOKXIBIV-UHFFFAOYSA-N
ChEBI
T
ChEBI
Thy
CBN
Thymin
ChemIDplus
An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.
CHEBI:15081
CHEBI:26648
CHEBI:9116
Beilstein:1721402
CAS:302-84-1
Gmelin:26429
KEGG:C00716
KNApSAcK:C00001393
Reaxys:1721402
Wikipedia:Serine
Serine
serine
chebi_ontology
0
105.043
105.09262
2-Amino-3-hydroxypropionic acid
2-amino-3-hydroxypropanoic acid
3-Hydroxyalanine
C3H7NO3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
MTCFGRXMJLQNBG-UHFFFAOYSA-N
NC(CO)C(O)=O
Serin
CHEBI:17822
serine
Beilstein:1721402
Beilstein
CAS:302-84-1
ChemIDplus
CAS:302-84-1
KEGG COMPOUND
CAS:302-84-1
NIST Chemistry WebBook
Gmelin:26429
Gmelin
Reaxys:1721402
Reaxys
Serine
KEGG_COMPOUND
serine
IUPAC
0
ChEBI
105.043
KEGG_COMPOUND
105.09262
ChEBI
2-Amino-3-hydroxypropionic acid
KEGG_COMPOUND
2-amino-3-hydroxypropanoic acid
IUPAC
3-Hydroxyalanine
KEGG_COMPOUND
C3H7NO3
KEGG_COMPOUND
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
ChEBI
MTCFGRXMJLQNBG-UHFFFAOYSA-N
ChEBI
NC(CO)C(O)=O
ChEBI
Serin
ChEBI
Any of a group of aminoglycoside antibiotics produced by fermentation of some Micromonospora spp.
CHEBI:14293
CHEBI:24206
CHEBI:24212
CHEBI:5306
CAS:1403-66-3
DrugBank:DB00798
KEGG:C00505
colombos:GENTAMICIN
4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside
chebi_ontology
Gentamicin
gentamicin
gentamycins
CHEBI:17833
gentamycin
CAS:1403-66-3
KEGG COMPOUND
4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside
IUPAC
Gentamicin
KEGG_COMPOUND
gentamicin
UniProt
gentamycins
ChEBI
An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.
CHEBI:11959
CHEBI:20314
Beilstein:3904778
CAS:2906-28-7
Gmelin:82609
KEGG:C00568
Reaxys:3904778
UM-BBD_compID:c0550
4-aminobenzoate
chebi_ontology
-1
136.040
136.12860
4-aminobenzoic acid, ion(1-)
ALYNCZNDIQEVRV-UHFFFAOYSA-M
C7H6NO2
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
Nc1ccc(cc1)C([O-])=O
p-aminobenzoate
CHEBI:17836
4-aminobenzoate
Beilstein:3904778
Beilstein
CAS:2906-28-7
ChemIDplus
Gmelin:82609
Gmelin
KEGG:C00568
ChEBI
Reaxys:3904778
Reaxys
UM-BBD_compID:c0550
ChEBI
4-aminobenzoate
IUPAC
4-aminobenzoate
UniProt
-1
ChEBI
136.040
ChEBI
136.12860
ChEBI
4-aminobenzoic acid, ion(1-)
ChemIDplus
ALYNCZNDIQEVRV-UHFFFAOYSA-M
ChEBI
C7H6NO2
ChEBI
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
ChEBI
Nc1ccc(cc1)C([O-])=O
ChEBI
p-aminobenzoate
ChemIDplus
The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1.
CHEBI:12003
CHEBI:20397
Beilstein:3589159
CAS:456-23-5
Gmelin:326508
KEGG:C00156
Reaxys:3589159
UM-BBD_compID:c0104
4-hydroxybenzoate
chebi_ontology
-1
137.024
137.11280
4-hydroxybenzoic acid, ion(1-)
C7H5O3
FJKROLUGYXJWQN-UHFFFAOYSA-M
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1
Oc1ccc(cc1)C([O-])=O
p-hydroxybenzoate
CHEBI:17879
4-hydroxybenzoate
Beilstein:3589159
Beilstein
CAS:456-23-5
ChemIDplus
Gmelin:326508
Gmelin
KEGG:C00156
ChEBI
Reaxys:3589159
Reaxys
UM-BBD_compID:c0104
ChEBI
4-hydroxybenzoate
IUPAC
4-hydroxybenzoate
UniProt
-1
ChEBI
137.024
ChEBI
137.11280
ChEBI
4-hydroxybenzoic acid, ion(1-)
ChemIDplus
C7H5O3
ChEBI
FJKROLUGYXJWQN-UHFFFAOYSA-M
ChEBI
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1
ChEBI
Oc1ccc(cc1)C([O-])=O
ChEBI
p-hydroxybenzoate
ChemIDplus
A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.
CHEBI:13364
CHEBI:24635
CHEBI:5590
CAS:7647-01-0
Drug_Central:4568
Gmelin:322
HMDB:HMDB02306
KEGG:C01327
KEGG:D02057
MetaCyc:HCL
PMID:15823700
PMID:17492841
PMID:22804993
Reaxys:1098214
Wikipedia:HCl
Wikipedia:Hydrochloric_acid
Hydrogen chloride
chlorane
chloridohydrogen
hydrogen chloride
chebi_ontology
0
35.977
36.46064
Chlorwasserstoff
ClH
Cl[H]
HCl
Hydrochloride
Hydrogenchlorid
InChI=1S/ClH/h1H
VEXZGXHMUGYJMC-UHFFFAOYSA-N
Wasserstoffchlorid
[HCl]
chlorure d'hydrogene
cloruro de hidrogeno
hydrochloric acid
CHEBI:17883
hydrogen chloride
CAS:7647-01-0
ChemIDplus
CAS:7647-01-0
KEGG COMPOUND
CAS:7647-01-0
NIST Chemistry WebBook
Drug_Central:4568
DrugCentral
Gmelin:322
Gmelin
PMID:15823700
Europe PMC
PMID:17492841
Europe PMC
PMID:22804993
Europe PMC
Reaxys:1098214
Reaxys
Hydrogen chloride
KEGG_COMPOUND
chlorane
IUPAC
chloridohydrogen
IUPAC
hydrogen chloride
IUPAC
0
ChEBI
35.977
ChEBI
35.977
KEGG_COMPOUND
36.46064
ChEBI
Chlorwasserstoff
ChEBI
ClH
ChEBI
Cl[H]
ChEBI
HCl
KEGG_COMPOUND
HCl
KEGG_COMPOUND
HCl
UniProt
Hydrochloride
KEGG_COMPOUND
Hydrogenchlorid
ChEBI
InChI=1S/ClH/h1H
ChEBI
VEXZGXHMUGYJMC-UHFFFAOYSA-N
ChEBI
Wasserstoffchlorid
ChEBI
[HCl]
IUPAC
chlorure d'hydrogene
ChEBI
cloruro de hidrogeno
ChEBI
hydrochloric acid
ChemIDplus
A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity.
CHEBI:14202
CHEBI:4697
KEGG:C01351
Donor
donor
chebi_ontology
Donator
donneur
CHEBI:17891
donor
Donor
KEGG_COMPOUND
donor
UniProt
Donator
ChEBI
donneur
ChEBI
An aminonucleoside antibiotic, derived from the Streptomyces alboniger bacterium, that causes premature chain termination during translation taking place in the ribosome.
CHEBI:14970
CHEBI:26402
CHEBI:45182
CHEBI:8641
CAS:53-79-2
DrugBank:DB08437
KEGG:C01610
KEGG:D05653
KNApSAcK:C00001507
LINCS:LSM-2788
PMID:13945541
PMID:15843471
PMID:18322149
PMID:323854
Reaxys:70234
Wikipedia:Puromycin
colombos:PUROMYCIN
colombos:PUROMYCIN:+UNKNOWN
3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine
Puromycin
chebi_ontology
(S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine
0
3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine
3'-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-diemthyladenosine
471.223
471.50984
9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine
Achromycin
C22H29N7O5
COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1
InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
RXWNCPJZOCPEPQ-NVWDDTSBSA-N
puromicina
puromycin
puromycine
puromycinum
CHEBI:17939
puromycin
CAS:53-79-2
ChemIDplus
CAS:53-79-2
KEGG COMPOUND
PMID:13945541
Europe PMC
PMID:15843471
Europe PMC
PMID:18322149
Europe PMC
PMID:323854
Europe PMC
Reaxys:70234
Reaxys
3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine
IUPAC
Puromycin
KEGG_COMPOUND
(S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine
ChemIDplus
0
ChEBI
3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine
ChemIDplus
3'-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-diemthyladenosine
ChEBI
471.223
KEGG_COMPOUND
471.50984
ChEBI
9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine
ChEBI
Achromycin
ChemIDplus
C22H29N7O5
KEGG_COMPOUND
COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1
ChEBI
InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
ChEBI
RXWNCPJZOCPEPQ-NVWDDTSBSA-N
ChEBI
puromicina
ChemIDplus
puromycin
ChemIDplus
puromycine
ChemIDplus
puromycinum
ChemIDplus
A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.
CHEBI:13924
CHEBI:22946
Beilstein:3601060
CAS:461-55-2
Gmelin:324289
KEGG:C00246
MetaCyc:BUTYRIC_ACID
PMID:17190852
PMID:7496326
Reaxys:3601060
UM-BBD_compID:c0035
butanoate
butyrate
chebi_ontology
-1
1-butanoate
1-butyrate
1-propanecarboxylate
87.045
87.09718
C4H7O2
CCCC([O-])=O
CH3-[CH2]2-COO(-)
FERIUCNNQQJTOY-UHFFFAOYSA-M
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
butanate
butanoate
butanoic acid, ion(1-)
n-butanoate
n-butyrate
propanecarboxylate
propylformate
CHEBI:17968
butyrate
Beilstein:3601060
Beilstein
CAS:461-55-2
ChemIDplus
Gmelin:324289
Gmelin
KEGG:C00246
ChEBI
PMID:17190852
Europe PMC
PMID:7496326
Europe PMC
Reaxys:3601060
Reaxys
UM-BBD_compID:c0035
ChEBI
butanoate
IUPAC
butyrate
IUPAC
-1
ChEBI
1-butanoate
ChEBI
1-butyrate
ChEBI
1-propanecarboxylate
ChEBI
87.045
ChEBI
87.09718
ChEBI
C4H7O2
ChEBI
CCCC([O-])=O
ChEBI
CH3-[CH2]2-COO(-)
IUPAC
FERIUCNNQQJTOY-UHFFFAOYSA-M
ChEBI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
ChEBI
butanate
ChEBI
butanoate
ChEBI
butanoate
UniProt
butanoic acid, ion(1-)
ChemIDplus
n-butanoate
ChEBI
n-butyrate
ChemIDplus
propanecarboxylate
ChEBI
propylformate
ChEBI
CHEBI:15047
CHEBI:26559
CHEBI:8846
KEGG:C03802
Ribonucleoside triphosphate
chebi_ontology
0
372.949
373.063
C5H12O13P3R
ribonucleoside triphosphates
CHEBI:17972
ribonucleoside triphosphate
Ribonucleoside triphosphate
KEGG_COMPOUND
0
KEGG_COMPOUND
372.949
KEGG_COMPOUND
373.063
KEGG_COMPOUND
C5H12O13P3R
KEGG_COMPOUND
ribonucleoside triphosphates
ChEBI
An acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria.
CHEBI:12685
CHEBI:12710
CHEBI:12724
CHEBI:21938
CHEBI:44568
CHEBI:7668
CAS:5147-00-2
DrugBank:DB01837
HMDB:HMDB03011
KEGG:C00979
KNApSAcK:C00007459
MetaCyc:ACETYLSERINE
PDBeChem:OAS
PMID:23483228
Reaxys:1723791
Wikipedia:O-Acetylserine
O-Acetyl-L-serine
O-acetyl-L-serine
chebi_ontology
0
147.053
147.12930
C5H9NO4
CC(=O)OC[C@H](N)C(O)=O
InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
L-Serine, acetate (ester)
O3-Acetyl-L-serine
O3-acetyl-L-serine
VZXPDPZARILFQX-BYPYZUCNSA-N
CHEBI:17981
O-acetyl-L-serine
CAS:5147-00-2
ChemIDplus
CAS:5147-00-2
KEGG COMPOUND
PMID:23483228
Europe PMC
Reaxys:1723791
Reaxys
O-Acetyl-L-serine
KEGG_COMPOUND
O-acetyl-L-serine
ChEBI
O-acetyl-L-serine
IUPAC
0
ChEBI
147.053
ChEBI
147.12930
ChEBI
C5H9NO4
ChEBI
CC(=O)OC[C@H](N)C(O)=O
ChEBI
InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
ChEBI
L-Serine, acetate (ester)
ChemIDplus
O3-Acetyl-L-serine
KEGG_COMPOUND
O3-acetyl-L-serine
ChEBI
VZXPDPZARILFQX-BYPYZUCNSA-N
ChEBI
A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid.
CHEBI:13727
CHEBI:13802
CHEBI:22223
CHEBI:2455
CAS:9029-97-4
KEGG:C00040
PMID:11264983
PMID:11524729
PMID:16495773
PMID:21514367
PMID:21541677
Acyl-CoA
chebi_ontology
0
794.102
794.53600
Acyl coenzyme A
C22H35N7O17P3SR
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O
CHEBI:17984
acyl-CoA
CAS:9029-97-4
KEGG COMPOUND
PMID:11264983
Europe PMC
PMID:11524729
Europe PMC
PMID:16495773
Europe PMC
PMID:21514367
Europe PMC
PMID:21541677
Europe PMC
Acyl-CoA
KEGG_COMPOUND
0
ChEBI
794.102
ChEBI
794.53600
ChEBI
Acyl coenzyme A
KEGG_COMPOUND
C22H35N7O17P3SR
ChEBI
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O
ChEBI
Sucrose is a disaccharide formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose.
CHEBI:15128
CHEBI:26812
CHEBI:45795
CHEBI:9314
Beilstein:90825
CAS:57-50-1
DrugBank:DB02772
Drug_Central:4610
Gmelin:97695
HMDB:HMDB00258
KEGG:C00089
KEGG:D00025
KEGG:D06533
KEGG:G00370
KNApSAcK:C00001151
MetaCyc:SUCROSE
PDBeChem:SUC
PMID:11021636
PMID:11093712
PMID:11111003
PMID:12065720
PMID:12706980
PMID:13508893
PMID:15291457
PMID:15660210
PMID:15792978
PMID:15845855
PMID:16228482
PMID:16304615
PMID:16313996
PMID:16525719
PMID:16660545
PMID:16663947
PMID:16665852
PMID:17233733
PMID:17439666
PMID:17597061
PMID:18625236
PMID:19199566
PMID:19726178
PMID:21703290
PMID:21972845
PMID:22085755
PMID:22311778
PMID:22404833
PMID:22751876
Reaxys:1435311
Reaxys:90825
Wikipedia:Sucrose
colombos:SUCROSE
SUCROSE
Sucrose
beta-D-fructofuranosyl alpha-D-glucopyranoside
sucrose
chebi_ontology
0
1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside
342.116
342.29650
C12H22O11
CZMRCDWAGMRECN-UGDNZRGBSA-N
Cane sugar
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Saccharose
Sacharose
White sugar
beta-D-Fruf-(2<->1)-alpha-D-Glcp
sacarosa
table sugar
CHEBI:17992
sucrose
Beilstein:90825
Beilstein
CAS:57-50-1
ChemIDplus
CAS:57-50-1
KEGG COMPOUND
CAS:57-50-1
NIST Chemistry WebBook
Drug_Central:4610
DrugCentral
Gmelin:97695
Gmelin
PMID:11021636
Europe PMC
PMID:11093712
Europe PMC
PMID:11111003
Europe PMC
PMID:12065720
Europe PMC
PMID:12706980
Europe PMC
PMID:13508893
Europe PMC
PMID:15291457
Europe PMC
PMID:15660210
Europe PMC
PMID:15792978
Europe PMC
PMID:15845855
Europe PMC
PMID:16228482
Europe PMC
PMID:16304615
Europe PMC
PMID:16313996
Europe PMC
PMID:16525719
Europe PMC
PMID:16660545
Europe PMC
PMID:16663947
Europe PMC
PMID:16665852
Europe PMC
PMID:17233733
Europe PMC
PMID:17439666
Europe PMC
PMID:17597061
Europe PMC
PMID:18625236
Europe PMC
PMID:19199566
Europe PMC
PMID:19726178
Europe PMC
PMID:21703290
Europe PMC
PMID:21972845
Europe PMC
PMID:22085755
Europe PMC
PMID:22311778
Europe PMC
PMID:22404833
Europe PMC
PMID:22751876
Europe PMC
Reaxys:1435311
Reaxys
Reaxys:90825
Reaxys
SUCROSE
PDBeChem
Sucrose
KEGG_COMPOUND
beta-D-fructofuranosyl alpha-D-glucopyranoside
IUPAC
sucrose
UniProt
0
ChEBI
1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside
KEGG_COMPOUND
342.116
KEGG_COMPOUND
342.29650
ChEBI
C12H22O11
KEGG_COMPOUND
CZMRCDWAGMRECN-UGDNZRGBSA-N
ChEBI
Cane sugar
KEGG_COMPOUND
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
ChEBI
OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI
Saccharose
KEGG_COMPOUND
Sacharose
ChEBI
White sugar
HMDB
beta-D-Fruf-(2<->1)-alpha-D-Glcp
JCBN
sacarosa
ChEBI
table sugar
ChemIDplus
A halide anion formed when chlorine picks up an electron to form an an anion.
CHEBI:13291
CHEBI:13970
CHEBI:3616
CHEBI:3731
CHEBI:48804
Beilstein:3587171
CAS:16887-00-6
Gmelin:14910
KEGG:C00115
KEGG:C00698
PDBeChem:CL
UM-BBD_compID:c0884
Chloride
chloride
chloride(1-)
chebi_ontology
-1
34.969
35.45270
CHLORIDE ION
Chloride ion
Chloride(1-)
Chlorine anion
Cl
Cl(-)
Cl-
InChI=1S/ClH/h1H/p-1
VEXZGXHMUGYJMC-UHFFFAOYSA-M
[Cl-]
CHEBI:17996
chloride
Beilstein:3587171
Beilstein
CAS:16887-00-6
ChemIDplus
CAS:16887-00-6
KEGG COMPOUND
CAS:16887-00-6
NIST Chemistry WebBook
Gmelin:14910
Gmelin
UM-BBD_compID:c0884
UM-BBD
Chloride
KEGG_COMPOUND
chloride
IUPAC
chloride
UniProt
chloride(1-)
IUPAC
-1
ChEBI
34.969
KEGG_COMPOUND
35.45270
ChEBI
CHLORIDE ION
PDBeChem
Chloride ion
KEGG_COMPOUND
Chloride(1-)
ChemIDplus
Chlorine anion
NIST_Chemistry_WebBook
Cl
KEGG_COMPOUND
Cl(-)
IUPAC
Cl-
KEGG_COMPOUND
InChI=1S/ClH/h1H/p-1
ChEBI
VEXZGXHMUGYJMC-UHFFFAOYSA-M
ChEBI
[Cl-]
ChEBI
A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.
CHEBI:24124
CHEBI:42743
CHEBI:5190
Beilstein:605763
CAS:110-17-8
Drug_Central:3229
Gmelin:49855
HMDB:HMDB00134
KEGG:C00122
KEGG:D02308
KNApSAcK:C00001183
MetaCyc:FUM
PDBeChem:FUM
PMID:17439666
PMID:21414846
PMID:22113915
PMID:22217732
PMID:22516248
Reaxys:605763
Wikipedia:Fumaric_Acid
(2E)-but-2-enedioic acid
FUMARIC ACID
Fumaric acid
chebi_ontology
(2E)-2-butenedioic acid
(E)-2-butenedioic acid
0
116.011
116.07220
C4H4O4
E297
Fumarsaeure
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
OC(=O)\C=C\C(O)=O
VZCYOOQTPOCHFL-OWOJBTEDSA-N
trans-1,2-ethylenedicarboxylic acid
trans-Butenedioic acid
trans-but-2-enedioic acid
CHEBI:18012
fumaric acid
Beilstein:605763
Beilstein
CAS:110-17-8
ChemIDplus
CAS:110-17-8
KEGG COMPOUND
CAS:110-17-8
NIST Chemistry WebBook
Drug_Central:3229
DrugCentral
Gmelin:49855
Gmelin
PMID:17439666
Europe PMC
PMID:21414846
Europe PMC
PMID:22113915
Europe PMC
PMID:22217732
Europe PMC
PMID:22516248
Europe PMC
Reaxys:605763
Reaxys
(2E)-but-2-enedioic acid
IUPAC
FUMARIC ACID
PDBeChem
Fumaric acid
KEGG_COMPOUND
(2E)-2-butenedioic acid
NIST_Chemistry_WebBook
(E)-2-butenedioic acid
NIST_Chemistry_WebBook
0
ChEBI
116.011
KEGG_COMPOUND
116.07220
ChEBI
C4H4O4
KEGG_COMPOUND
E297
ChEBI
Fumarsaeure
ChEBI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
ChEBI
OC(=O)\C=C\C(O)=O
ChEBI
VZCYOOQTPOCHFL-OWOJBTEDSA-N
ChEBI
trans-1,2-ethylenedicarboxylic acid
ChemIDplus
trans-Butenedioic acid
KEGG_COMPOUND
trans-but-2-enedioic acid
IUPAC
A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.
CHEBI:19320
CHEBI:41901
CHEBI:885
Beilstein:2209117
CAS:303-38-8
DrugBank:DB01672
HMDB:HMDB00397
KEGG:C00196
KNApSAcK:C00002669
PDBeChem:DBH
PMID:17065237
PMID:24171385
PMID:3575393
Reaxys:2209117
Wikipedia:2,3-Dihydroxybenzoic_acid
2,3-Dihydroxybenzoic acid
2,3-dihydroxybenzoic acid
chebi_ontology
0
154.027
154.12010
2,3 DHB
2,3-DIHYDROXY-BENZOIC ACID
2-pyrocatechuic acid
3-hydroxysalicylic acid
C7H6O4
DOBK
GLDQAMYCGOIJDV-UHFFFAOYSA-N
InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
OC(=O)c1cccc(O)c1O
catechol-3-carboxylic acid
o-pyrocatechuic acid
pyrocatechuic acid
CHEBI:18026
2,3-dihydroxybenzoic acid
Beilstein:2209117
Beilstein
CAS:303-38-8
ChemIDplus
CAS:303-38-8
KEGG COMPOUND
CAS:303-38-8
NIST Chemistry WebBook
PMID:17065237
Europe PMC
PMID:24171385
Europe PMC
PMID:3575393
Europe PMC
Reaxys:2209117
Reaxys
2,3-Dihydroxybenzoic acid
KEGG_COMPOUND
2,3-dihydroxybenzoic acid
ChEBI
2,3-dihydroxybenzoic acid
IUPAC
0
ChEBI
154.027
KEGG_COMPOUND
154.12010
ChEBI
2,3 DHB
NIST_Chemistry_WebBook
2,3-DIHYDROXY-BENZOIC ACID
PDBeChem
2-pyrocatechuic acid
ChemIDplus
3-hydroxysalicylic acid
ChemIDplus
C7H6O4
KEGG_COMPOUND
DOBK
NIST_Chemistry_WebBook
GLDQAMYCGOIJDV-UHFFFAOYSA-N
ChEBI
InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
ChEBI
OC(=O)c1cccc(O)c1O
ChEBI
catechol-3-carboxylic acid
NIST_Chemistry_WebBook
o-pyrocatechuic acid
ChemIDplus
pyrocatechuic acid
ChemIDplus
An optically active form of glutamine having L-configuration.
CHEBI:13110
CHEBI:21308
CHEBI:42812
CHEBI:42814
CHEBI:42899
CHEBI:42943
CHEBI:6227
Beilstein:1723797
CAS:56-85-9
DrugBank:DB00130
Drug_Central:1311
ECMDB:ECMDB00641
Gmelin:3509
HMDB:HMDB00641
KEGG:C00064
KEGG:D00015
KNApSAcK:C00001359
LINCS:LSM-4741
MetaCyc:GLN
PDBeChem:GLN
PMID:11139387
PMID:15204730
PMID:22055478
PMID:22206385
PMID:22451274
PMID:22453904
PMID:22575040
PMID:22770225
Reaxys:1723797
Wikipedia:Glutamine
YMDB:YMDB00002
L-Glutamine
L-glutamine
chebi_ontology
(2S)-2,5-diamino-5-oxopentanoic acid
(2S)-2-amino-4-carbamoylbutanoic acid
(S)-2,5-diamino-5-oxopentanoic acid
0
146.069
146.14458
C5H10N2O3
GLUTAMINE
Glutamic acid 5-amide
Glutamic acid amide
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
L-(+)-glutamine
L-2-Aminoglutaramic acid
L-2-aminoglutaramic acid
L-Glutamin
L-Glutaminsaeure-5-amid
L-glutamic acid gamma-amide
Levoglutamide
N[C@@H](CCC(N)=O)C(O)=O
Q
ZDXPYRJPNDTMRX-VKHMYHEASA-N
CHEBI:18050
L-glutamine
Beilstein:1723797
ChemIDplus
CAS:56-85-9
ChemIDplus
CAS:56-85-9
KEGG COMPOUND
CAS:56-85-9
NIST Chemistry WebBook
Drug_Central:1311
DrugCentral
Gmelin:3509
Gmelin
PMID:11139387
Europe PMC
PMID:15204730
Europe PMC
PMID:22055478
Europe PMC
PMID:22206385
Europe PMC
PMID:22451274
Europe PMC
PMID:22453904
Europe PMC
PMID:22575040
Europe PMC
PMID:22770225
Europe PMC
Reaxys:1723797
Reaxys
L-Glutamine
KEGG_COMPOUND
L-glutamine
IUPAC
(2S)-2,5-diamino-5-oxopentanoic acid
IUPAC
(2S)-2-amino-4-carbamoylbutanoic acid
JCBN
(S)-2,5-diamino-5-oxopentanoic acid
ChEBI
0
ChEBI
146.069
KEGG_COMPOUND
146.14458
ChEBI
C5H10N2O3
KEGG_COMPOUND
GLUTAMINE
PDBeChem
Glutamic acid 5-amide
HMDB
Glutamic acid amide
HMDB
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
ChEBI
L-(+)-glutamine
ChemIDplus
L-2-Aminoglutaramic acid
KEGG_COMPOUND
L-2-aminoglutaramic acid
ChEBI
L-2-aminoglutaramic acid
DrugBank
L-Glutamin
ChEBI
L-Glutaminsaeure-5-amid
ChEBI
L-glutamic acid gamma-amide
NIST_Chemistry_WebBook
Levoglutamide
KEGG_DRUG
N[C@@H](CCC(N)=O)C(O)=O
ChEBI
Q
ChEBI
ZDXPYRJPNDTMRX-VKHMYHEASA-N
ChEBI
'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.
CHEBI:14517
CHEBI:25054
CHEBI:6486
KEGG:C01356
Lipid
lipids
chebi_ontology
CHEBI:18059
lipid
Lipid
KEGG_COMPOUND
lipids
IUPAC
A purine nucleoside in which xanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond.
CHEBI:10066
CHEBI:15323
CHEBI:27327
CAS:146-80-5
HMDB:HMDB00299
KEGG:C01762
KNApSAcK:C00007222
MetaCyc:XANTHOSINE
PMID:10879466
PMID:19176874
PMID:21071429
PMID:22698263
PMID:22731949
PMID:22770225
PMID:22932763
Reaxys:625906
Wikipedia:Xanthosine
Xanthosine
xanthosine
chebi_ontology
0
284.076
284.22564
9-beta-D-Ribofuranosylxanthine
9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione
9-beta-D-ribofuranosylxanthine
C10H12N4O6
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
UBORTCNDUKBEOP-UUOKFMHZSA-N
Xanthine riboside
xanthine 9-beta-D-ribofuranoside
CHEBI:18107
xanthosine
CAS:146-80-5
ChemIDplus
CAS:146-80-5
KEGG COMPOUND
PMID:10879466
Europe PMC
PMID:19176874
Europe PMC
PMID:21071429
Europe PMC
PMID:22698263
Europe PMC
PMID:22731949
Europe PMC
PMID:22770225
Europe PMC
PMID:22932763
Europe PMC
Reaxys:625906
Reaxys
Xanthosine
KEGG_COMPOUND
xanthosine
IUPAC
xanthosine
UniProt
0
ChEBI
284.076
KEGG_COMPOUND
284.22564
ChEBI
9-beta-D-Ribofuranosylxanthine
ChemIDplus
9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione
ChEBI
9-beta-D-ribofuranosylxanthine
ChEBI
C10H12N4O6
KEGG_COMPOUND
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
ChEBI
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
ChEBI
UBORTCNDUKBEOP-UUOKFMHZSA-N
ChEBI
Xanthine riboside
ChemIDplus
xanthine 9-beta-D-ribofuranoside
ChEBI
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).
CHEBI:14399
CHEBI:24590
CHEBI:5709
KEGG:C00738
Hexose
hexose
chebi_ontology
hexoses
CHEBI:18133
hexose
Hexose
KEGG_COMPOUND
hexose
UniProt
hexoses
ChEBI
A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group.
CHEBI:15261
CHEBI:27125
CHEBI:27127
CHEBI:9732
Beilstein:956566
CAS:75-50-3
Gmelin:1309
HMDB:HMDB00906
KEGG:C00565
KNApSAcK:C00001433
MetaCyc:TRIMETHYLAMINE
PDBeChem:KEN
PMID:14047118
PMID:15304308
PMID:15752091
PMID:17190852
PMID:1801314
PMID:24591617
PMID:2501587
PMID:5161463
Reaxys:956566
Wikipedia:Trimethylamine
N,N-dimethylmethanamine
Trimethylamine
chebi_ontology
(CH3)3N
0
59.073
59.11030
C3H9N
CN(C)C
GETQZCLCWQTVFV-UHFFFAOYSA-N
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
N(CH3)3
N,N,N-trimethylamine
N,N-Dimethylmethanamine
NMe3
TMA
Trimethylamin
tridimethylaminomethane
CHEBI:18139
trimethylamine
Beilstein:956566
Beilstein
CAS:75-50-3
ChemIDplus
CAS:75-50-3
KEGG COMPOUND
CAS:75-50-3
NIST Chemistry WebBook
Gmelin:1309
Gmelin
PMID:14047118
Europe PMC
PMID:15304308
Europe PMC
PMID:15752091
Europe PMC
PMID:17190852
Europe PMC
PMID:1801314
Europe PMC
PMID:24591617
Europe PMC
PMID:2501587
Europe PMC
PMID:5161463
Europe PMC
Reaxys:956566
Reaxys
N,N-dimethylmethanamine
IUPAC
Trimethylamine
KEGG_COMPOUND
(CH3)3N
KEGG_COMPOUND
0
ChEBI
59.073
KEGG_COMPOUND
59.11030
ChEBI
C3H9N
KEGG_COMPOUND
CN(C)C
ChEBI
GETQZCLCWQTVFV-UHFFFAOYSA-N
ChEBI
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
ChEBI
N(CH3)3
ChEBI
N,N,N-trimethylamine
ChEBI
N,N-Dimethylmethanamine
KEGG_COMPOUND
NMe3
ChEBI
TMA
NIST_Chemistry_WebBook
Trimethylamin
ChEBI
tridimethylaminomethane
ChEBI
CHEBI:13368
CHEBI:37140
CHEBI:5599
hydrogen halide
hydrogen halides
chebi_ontology
0
HX
[F,Cl,Br,I]
hydrogen halides
CHEBI:18140
hydrogen halide
hydrogen halide
IUPAC
hydrogen halides
IUPAC
0
ChEBI
HX
ChEBI
HX
UniProt
[F,Cl,Br,I]
ChEBI
hydrogen halides
ChEBI
A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants.
CHEBI:14636
CHEBI:44341
CHEBI:7053
Beilstein:332331
CAS:529-44-2
DrugBank:DB02375
HMDB:HMDB02755
KEGG:C10107
KNApSAcK:C00001071
LINCS:LSM-2957
LIPID_MAPS_instance:LMPK12110001
MetaCyc:MYRICETIN
PDBeChem:MYC
PMID:19407970
PMID:19778600
PMID:22482362
PMID:23099505
PMID:23232835
PMID:23265454
Reaxys:332331
Wikipedia:Myricetin
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Myricetin
chebi_ontology
0
3,3',4',5,5',7-Hexahydroxyflavone
3,5,7,3',4',5'-Hexahydroxyflavone
318.038
318.23510
C15H10O8
Cannabiscetin
IKMDFBPHZNJCSN-UHFFFAOYSA-N
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
Myricetol
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
CHEBI:18152
myricetin
Beilstein:332331
Beilstein
CAS:529-44-2
ChemIDplus
CAS:529-44-2
KEGG COMPOUND
LIPID_MAPS_instance:LMPK12110001
LIPID MAPS
PMID:19407970
Europe PMC
PMID:19778600
Europe PMC
PMID:22482362
Europe PMC
PMID:23099505
Europe PMC
PMID:23232835
Europe PMC
PMID:23265454
Europe PMC
Reaxys:332331
Reaxys
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
IUPAC
Myricetin
KEGG_COMPOUND
0
ChEBI
3,3',4',5,5',7-Hexahydroxyflavone
ChemIDplus
3,5,7,3',4',5'-Hexahydroxyflavone
KEGG_COMPOUND
318.038
ChEBI
318.23510
ChEBI
C15H10O8
ChEBI
Cannabiscetin
ChemIDplus
IKMDFBPHZNJCSN-UHFFFAOYSA-N
ChEBI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
ChEBI
Myricetol
ChemIDplus
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
ChEBI
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.
CHEBI:14864
CHEBI:26205
CHEBI:8322
KEGG:C00420
Polysaccharide
polysaccharide
polysaccharides
chebi_ontology
Glycan
Glycane
Glykan
Glykane
glycans
polisacarido
polisacaridos
CHEBI:18154
polysaccharide
Polysaccharide
KEGG_COMPOUND
polysaccharide
UniProt
polysaccharides
IUPAC
Glycan
KEGG_COMPOUND
Glycane
ChEBI
Glykan
ChEBI
Glykane
ChEBI
glycans
IUPAC
polisacarido
ChEBI
polisacaridos
IUPAC
An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.
CHEBI:15277
CHEBI:27176
CHEBI:9800
Beilstein:515881
CAS:55520-40-6
CAS:556-03-6
Gmelin:27744
KEGG:C01536
KNApSAcK:C00001397
PMID:17190852
Reaxys:515881
Tyrosine
tyrosine
chebi_ontology
0
181.074
181.18858
2-Amino-3-(p-hydroxyphenyl)propionic acid
2-amino-3-(4-hydroxyphenyl)propanoic acid
3-(p-Hydroxyphenyl)alanine
C9H11NO3
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
NC(Cc1ccc(O)cc1)C(O)=O
OUYCCCASQSFEME-UHFFFAOYSA-N
Tyr
Tyrosin
Y
tirosina
CHEBI:18186
tyrosine
Beilstein:515881
Beilstein
CAS:55520-40-6
ChemIDplus
CAS:556-03-6
KEGG COMPOUND
Gmelin:27744
Gmelin
PMID:17190852
Europe PMC
Reaxys:515881
Reaxys
Tyrosine
KEGG_COMPOUND
tyrosine
IUPAC
tyrosine
UniProt
0
ChEBI
181.074
KEGG_COMPOUND
181.18858
ChEBI
2-Amino-3-(p-hydroxyphenyl)propionic acid
KEGG_COMPOUND
2-amino-3-(4-hydroxyphenyl)propanoic acid
IUPAC
3-(p-Hydroxyphenyl)alanine
KEGG_COMPOUND
C9H11NO3
KEGG_COMPOUND
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
ChEBI
NC(Cc1ccc(O)cc1)C(O)=O
ChEBI
OUYCCCASQSFEME-UHFFFAOYSA-N
ChEBI
Tyr
ChEBI
Tyrosin
ChEBI
Y
ChEBI
tirosina
ChEBI
A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.
CHEBI:14743
CHEBI:25866
CHEBI:45073
CHEBI:7962
Beilstein:44740
CAS:61-33-6
DrugBank:DB01053
Drug_Central:2082
Gmelin:781913
HMDB:HMDB15186
KEGG:C05551
KEGG:D02336
LINCS:LSM-3229
PDBeChem:PNN
PMID:10930630
PMID:11431418
PMID:11906332
PMID:12569987
PMID:12850488
PMID:1384868
PMID:16033609
PMID:1709917
PMID:2083978
PMID:24485692
PMID:24631718
PMID:25998949
PMID:27731424
PMID:6161899
PMID:7602118
PMID:7716788
Patent:US3024169
Reaxys:44740
Wikipedia:Benzylpenicillin
2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
Benzylpenicillin
chebi_ontology
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
0
334.099
334.392
6-(2-phenylacetamido)penicillanic acid
C16H18N2O4S
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
JGSARLDLIJGVTE-MBNYWOFBSA-N
N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O
PCG
PENICILLIN G
PG
Penicillin G
bencilpenicilina
bensylpenicillin
benzyl benicillin
benzylpenicillin
benzylpenicilline
benzylpenicillinic acid
benzylpenicillinum
free penicillin II
CHEBI:18208
benzylpenicillin
Beilstein:44740
Beilstein
CAS:61-33-6
ChemIDplus
CAS:61-33-6
KEGG COMPOUND
Drug_Central:2082
DrugCentral
Gmelin:781913
Gmelin
PMID:10930630
Europe PMC
PMID:11431418
Europe PMC
PMID:11906332
Europe PMC
PMID:12569987
Europe PMC
PMID:12850488
Europe PMC
PMID:1384868
Europe PMC
PMID:16033609
Europe PMC
PMID:1709917
Europe PMC
PMID:2083978
Europe PMC
PMID:24485692
Europe PMC
PMID:24631718
Europe PMC
PMID:25998949
Europe PMC
PMID:27731424
Europe PMC
PMID:6161899
Europe PMC
PMID:7602118
Europe PMC
PMID:7716788
Europe PMC
Reaxys:44740
Reaxys
2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
IUPAC
Benzylpenicillin
KEGG_COMPOUND
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
ChEBI
0
ChEBI
334.099
ChEBI
334.392
ChEBI
6-(2-phenylacetamido)penicillanic acid
ChemIDplus
C16H18N2O4S
ChEBI
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
ChEBI
JGSARLDLIJGVTE-MBNYWOFBSA-N
ChEBI
N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O
ChEBI
PCG
ChEBI
PENICILLIN G
PDBeChem
PG
ChEBI
Penicillin G
KEGG_COMPOUND
bencilpenicilina
ChemIDplus
bensylpenicillin
ChEBI
benzyl benicillin
ChEBI
benzylpenicillin
KEGG_DRUG
benzylpenicilline
ChemIDplus
benzylpenicillinic acid
ChemIDplus
benzylpenicillinum
ChemIDplus
free penicillin II
ChemIDplus
CHEBI:15077
CHEBI:9090
CAS:14124-67-5
Gmelin:100833
KEGG:C05684
UM-BBD_compID:c0741
selenite
trioxidoselenate(2-)
trioxoselenate(2-)
trioxoselenate(IV)
chebi_ontology
-2
126.95820
127.901
InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
MCAHWIHFGHIESP-UHFFFAOYSA-L
O3Se
Selenit
Selenite
[O-][Se]([O-])=O
[SeO3](2-)
selenite
CHEBI:18212
selenite(2-)
CAS:14124-67-5
ChemIDplus
Gmelin:100833
Gmelin
UM-BBD_compID:c0741
UM-BBD
selenite
IUPAC
trioxidoselenate(2-)
IUPAC
trioxoselenate(2-)
IUPAC
trioxoselenate(IV)
IUPAC
-2
ChEBI
126.95820
ChEBI
127.901
KEGG_COMPOUND
InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
ChEBI
MCAHWIHFGHIESP-UHFFFAOYSA-L
ChEBI
O3Se
KEGG_COMPOUND
Selenit
ChEBI
Selenite
KEGG_COMPOUND
[O-][Se]([O-])=O
ChEBI
[SeO3](2-)
IUPAC
selenite
UniProt
An aldopentose, found in the embryos of most edible plants and used in medicine to test for malabsorption by administration in water to the patient.
CHEBI:10085
CHEBI:15332
CHEBI:27348
CHEBI:33944
CHEBI:46500
KEGG:C01394
Wikipedia:Xylose
colombos:XYLOSE
Xylose
xylo-pentose
xylose
chebi_ontology
C5H10O5
DL-xylose
Xyl
CHEBI:18222
xylose
Xylose
KEGG_COMPOUND
xylo-pentose
IUPAC
xylose
IUPAC
xylose
UniProt
C5H10O5
KEGG_COMPOUND
DL-xylose
ChEBI
Xyl
JCBN
A galactosamine phosphate that is D-galactosamine substituted at position 1 by a monophosphate group.
CHEBI:12934
CHEBI:20953
CHEBI:4137
KEGG:C06377
MetaCyc:D-GALACTOSAMINE-6-PHOSPHATE
PMID:15133084
PMID:16630633
PMID:3102459
PMID:8054717
Reaxys:4143677
2-amino-2-deoxy-6-O-phosphono-D-galactopyranose
2-amino-2-deoxy-D-galactopyranose 6-(dihydrogen phosphate)
D-Galactosamine 6-phosphate
chebi_ontology
0
259.046
259.15106
C6H14NO8P
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
XHMJOUIAFHJHBW-GASJEMHNSA-N
CHEBI:18232
D-galactosamine 6-phosphate
PMID:15133084
Europe PMC
PMID:16630633
Europe PMC
PMID:3102459
Europe PMC
PMID:8054717
Europe PMC
Reaxys:4143677
Reaxys
2-amino-2-deoxy-6-O-phosphono-D-galactopyranose
IUPAC
2-amino-2-deoxy-D-galactopyranose 6-(dihydrogen phosphate)
IUPAC
D-Galactosamine 6-phosphate
KEGG_COMPOUND
0
ChEBI
259.046
KEGG_COMPOUND
259.15106
ChEBI
C6H14NO8P
KEGG_COMPOUND
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
ChEBI
N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
ChEBI
XHMJOUIAFHJHBW-GASJEMHNSA-N
ChEBI
An iron group element atom that has atomic number 26.
CHEBI:13322
CHEBI:24872
CHEBI:5974
CAS:7439-89-6
DrugBank:DB01592
HMDB:HMDB15531
KEGG:C00023
Reaxys:4122945
WebElements:Fe
iron
chebi_ontology
0
26Fe
55.84500
55.935
Eisen
Fe
InChI=1S/Fe
Iron
XEEYBQQBJWHFJM-UHFFFAOYSA-N
[Fe]
fer
ferrum
hierro
iron
CHEBI:18248
iron atom
CAS:7439-89-6
ChemIDplus
CAS:7439-89-6
KEGG COMPOUND
CAS:7439-89-6
NIST Chemistry WebBook
Reaxys:4122945
Reaxys
iron
IUPAC
0
ChEBI
26Fe
IUPAC
55.84500
ChEBI
55.935
KEGG_COMPOUND
Eisen
ChEBI
Fe
IUPAC
Fe
KEGG_COMPOUND
InChI=1S/Fe
ChEBI
Iron
KEGG_COMPOUND
XEEYBQQBJWHFJM-UHFFFAOYSA-N
ChEBI
[Fe]
ChEBI
fer
ChEBI
ferrum
IUPAC
hierro
ChEBI
iron
ChEBI
Any nucleoside where the sugar component is D-ribose.
CHEBI:13014
CHEBI:13015
CHEBI:13685
CHEBI:21085
CHEBI:26560
CHEBI:4240
CHEBI:8844
KEGG:C00911
Ribonucleoside
chebi_ontology
0
133.050
C5H9O4R
OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O
a ribonucleoside
ribonucleosides
CHEBI:18254
ribonucleoside
Ribonucleoside
KEGG_COMPOUND
0
ChEBI
133.050
ChEBI
C5H9O4R
ChEBI
OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O
ChEBI
a ribonucleoside
UniProt
ribonucleosides
ChEBI
CHEBI:1083
CHEBI:11394
CHEBI:11567
CHEBI:11568
CHEBI:19259
CHEBI:19560
CHEBI:4421
KEGG:C02269
KEGG:C03216
chebi_ontology
0
117.055
2'-Deoxynucleoside
2'-deoxyribonucleosides
2-Deoxy-D-ribosyl-base
C5H9O3R
Deoxynucleoside
OC[C@H]1O[C@@H]([*])C[C@@H]1O
a 2'-deoxyribonucleoside
CHEBI:18274
2'-deoxyribonucleoside
0
ChEBI
117.055
ChEBI
2'-Deoxynucleoside
KEGG_COMPOUND
2'-deoxyribonucleosides
ChEBI
2-Deoxy-D-ribosyl-base
KEGG_COMPOUND
C5H9O3R
ChEBI
Deoxynucleoside
KEGG_COMPOUND
OC[C@H]1O[C@@H]([*])C[C@@H]1O
ChEBI
a 2'-deoxyribonucleoside
UniProt
That part of DNA or RNA that may be involved in pairing.
CHEBI:13873
CHEBI:25598
CHEBI:2995
KEGG:C00701
Wikipedia:Nucleobase
chebi_ontology
Base
a nucleobase
nucleobases
CHEBI:18282
nucleobase
Base
KEGG_COMPOUND
a nucleobase
UniProt
nucleobases
ChEBI
CHEBI:10201
CHEBI:12285
CHEBI:15252
CHEBI:22364
Beilstein:59815
CAS:4484-88-2
DrugBank:DB02430
KEGG:C00689
KEGG:G09795
KNApSAcK:C00007451
alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside
chebi_ontology
0
422.083
422.27638
C12H23O14P
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
LABSPYBHMPDTEL-LIZSDCNHSA-N
OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Trehalose 6-phosphate
alpha,alpha'-Trehalose 6-phosphate
alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
CHEBI:18283
alpha,alpha-trehalose 6-phosphate
Beilstein:59815
Beilstein
CAS:4484-88-2
ChemIDplus
CAS:4484-88-2
KEGG COMPOUND
alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside
IUPAC
0
ChEBI
422.083
KEGG_COMPOUND
422.27638
ChEBI
C12H23O14P
KEGG_COMPOUND
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
ChEBI
LABSPYBHMPDTEL-LIZSDCNHSA-N
ChEBI
OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI
Trehalose 6-phosphate
KEGG_COMPOUND
alpha,alpha'-Trehalose 6-phosphate
KEGG_COMPOUND
alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
ChemIDplus
Any form of fucose having L configuration.
CHEBI:13102
CHEBI:21293
CAS:2438-80-4
PMID:20877283
6-deoxy-L-galactose
L-fucose
chebi_ontology
(-)-L-fucose
(-)-fucose
0
164.15648
C6H12O5
L-(-)-fucose
L-Fuc
L-galactomethylose
CHEBI:18287
L-fucose
CAS:2438-80-4
ChemIDplus
PMID:20877283
Europe PMC
6-deoxy-L-galactose
IUPAC
L-fucose
IUPAC
(-)-L-fucose
ChemIDplus
(-)-fucose
ChemIDplus
0
ChEBI
164.15648
ChEBI
C6H12O5
ChEBI
L-(-)-fucose
ChemIDplus
L-Fuc
JCBN
L-galactomethylose
ChemIDplus
CHEBI:13382
CHEBI:25153
CHEBI:6681
CAS:7439-96-5
KEGG:C00034
WebElements:Mn
manganese
chebi_ontology
0
25Mn
54.938
54.93805
InChI=1S/Mn
Mangan
Manganese
Mn
PWHULOQIROXLJO-UHFFFAOYSA-N
[Mn]
manganese
manganeso
manganum
CHEBI:18291
manganese atom
CAS:7439-96-5
ChemIDplus
CAS:7439-96-5
KEGG COMPOUND
manganese
IUPAC
0
ChEBI
25Mn
IUPAC
54.938
KEGG_COMPOUND
54.93805
ChEBI
InChI=1S/Mn
ChEBI
Mangan
NIST_Chemistry_WebBook
Manganese
KEGG_COMPOUND
Mn
IUPAC
Mn
KEGG_COMPOUND
PWHULOQIROXLJO-UHFFFAOYSA-N
ChEBI
[Mn]
ChEBI
manganese
ChEBI
manganeso
ChEBI
manganum
ChEBI
A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group.
CHEBI:14401
CHEBI:24596
CHEBI:43187
CHEBI:817
Beilstein:2012
CAS:51-45-6
Drug_Central:1375
Gmelin:2968
HMDB:HMDB00870
KEGG:C00388
KEGG:D08040
KNApSAcK:C00001414
MetaCyc:HISTAMINE
PDBeChem:HSM
PMID:16399866
PMID:19547708
PMID:19843401
PMID:22770225
PMID:24101735
Reaxys:2012
Wikipedia:Histamine
2-(1H-imidazol-4-yl)ethanamine
HISTAMINE
Histamine
chebi_ontology
0
111.080
111.14518
1H-Imidazole-4-ethanamine
2-(4-Imidazolyl)ethylamine
C5H9N3
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
NCCc1c[nH]cn1
NTYJJOPFIAHURM-UHFFFAOYSA-N
CHEBI:18295
histamine
Beilstein:2012
Beilstein
CAS:51-45-6
ChemIDplus
CAS:51-45-6
KEGG COMPOUND
CAS:51-45-6
NIST Chemistry WebBook
Drug_Central:1375
DrugCentral
Gmelin:2968
Gmelin
PMID:16399866
Europe PMC
PMID:19547708
Europe PMC
PMID:19843401
Europe PMC
PMID:22770225
Europe PMC
PMID:24101735
Europe PMC
Reaxys:2012
Reaxys
2-(1H-imidazol-4-yl)ethanamine
IUPAC
HISTAMINE
PDBeChem
Histamine
KEGG_COMPOUND
0
ChEBI
111.080
KEGG_COMPOUND
111.14518
ChEBI
1H-Imidazole-4-ethanamine
KEGG_COMPOUND
2-(4-Imidazolyl)ethylamine
KEGG_COMPOUND
C5H9N3
KEGG_COMPOUND
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
ChEBI
NCCc1c[nH]cn1
ChEBI
NTYJJOPFIAHURM-UHFFFAOYSA-N
ChEBI
A butenedioic acid in which the double bond has cis- (Z)-configuration.
CHEBI:25119
CHEBI:43836
CHEBI:6653
Beilstein:1903639
Beilstein:605762
CAS:110-16-7
DrugBank:DB04299
Gmelin:49854
HMDB:HMDB00176
KEGG:C01384
KNApSAcK:C00007417
MetaCyc:MALEATE
PDBeChem:MAE
PMID:10952545
PMID:11386868
PMID:22770225
PMID:9591280
Reaxys:605762
Wikipedia:Maleic_acid
(2Z)-but-2-enedioic acid
MALEIC ACID
Maleic acid
chebi_ontology
(Z)-2-butenedioic acid
(Z)-butenedioic acid
0
116.011
116.07216
C4H4O4
H2male
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
OC(=O)\C=C/C(O)=O
VZCYOOQTPOCHFL-UPHRSURJSA-N
cis-1,2-ethylenedicarboxylic acid
cis-Butenedioic acid
cis-but-2-enedioic acid
toxilic acid
CHEBI:18300
maleic acid
Beilstein:1903639
Beilstein
Beilstein:605762
Beilstein
CAS:110-16-7
ChemIDplus
CAS:110-16-7
KEGG COMPOUND
CAS:110-16-7
NIST Chemistry WebBook
Gmelin:49854
Gmelin
PMID:10952545
Europe PMC
PMID:11386868
Europe PMC
PMID:22770225
Europe PMC
PMID:9591280
Europe PMC
Reaxys:605762
Reaxys
(2Z)-but-2-enedioic acid
IUPAC
MALEIC ACID
PDBeChem
Maleic acid
KEGG_COMPOUND
(Z)-2-butenedioic acid
NIST_Chemistry_WebBook
(Z)-butenedioic acid
NIST_Chemistry_WebBook
0
ChEBI
116.011
KEGG_COMPOUND
116.07216
ChEBI
C4H4O4
KEGG_COMPOUND
H2male
IUPAC
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
ChEBI
OC(=O)\C=C/C(O)=O
ChEBI
VZCYOOQTPOCHFL-UPHRSURJSA-N
ChEBI
cis-1,2-ethylenedicarboxylic acid
NIST_Chemistry_WebBook
cis-Butenedioic acid
KEGG_COMPOUND
cis-but-2-enedioic acid
IUPAC
toxilic acid
NIST_Chemistry_WebBook
A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.
CHEBI:19766
CHEBI:19768
CHEBI:35853
CHEBI:40714
CHEBI:8487
Beilstein:635743
CAS:79-10-7
DrugBank:DB02579
Gmelin:1817
HMDB:HMDB31647
KEGG:C00511
LIPID_MAPS_instance:LMFA01030193
MetaCyc:MY148411
MetaCyc:MY149879
PDBeChem:AKR
PMID:24650085
PMID:24673501
Reaxys:635743
Wikipedia:Acrylic_acid
ACRYLIC ACID
Acrylic acid
prop-2-enoic acid
chebi_ontology
0
2-Propenoic acid
72.021
72.06266
Acrylate
C3H4O2
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
NIXOWILDQLNWCW-UHFFFAOYSA-N
OC(=O)C=C
Propenoate
Propenoic acid
Vinylformic acid
acroleic acid
ethylenecarboxylic acid
CHEBI:18308
acrylic acid
Beilstein:635743
Beilstein
CAS:79-10-7
ChemIDplus
CAS:79-10-7
KEGG COMPOUND
CAS:79-10-7
NIST Chemistry WebBook
Gmelin:1817
Gmelin
LIPID_MAPS_instance:LMFA01030193
LIPID MAPS
PMID:24650085
Europe PMC
PMID:24673501
Europe PMC
Reaxys:635743
Reaxys
ACRYLIC ACID
PDBeChem
Acrylic acid
KEGG_COMPOUND
prop-2-enoic acid
IUPAC
0
ChEBI
2-Propenoic acid
KEGG_COMPOUND
72.021
KEGG_COMPOUND
72.06266
ChEBI
Acrylate
KEGG_COMPOUND
C3H4O2
KEGG_COMPOUND
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
ChEBI
NIXOWILDQLNWCW-UHFFFAOYSA-N
ChEBI
OC(=O)C=C
ChEBI
Propenoate
KEGG_COMPOUND
Propenoic acid
ChemIDplus
Vinylformic acid
KEGG_COMPOUND
acroleic acid
ChemIDplus
ethylenecarboxylic acid
NIST_Chemistry_WebBook
An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
CHEBI:13435
CHEBI:22317
CHEBI:2576
KEGG:C01371
Alkane
alkane
alkanes
chebi_ontology
0
15.023
Alkan
CH3R
C[*]
RH
alcane
alcanes
alcano
alcanos
an alkane
CHEBI:18310
alkane
Alkane
KEGG_COMPOUND
alkane
IUPAC
alkanes
IUPAC
0
ChEBI
15.023
ChEBI
Alkan
ChEBI
CH3R
ChEBI
C[*]
ChEBI
RH
KEGG_COMPOUND
alcane
IUPAC
alcanes
IUPAC
alcano
IUPAC
alcanos
IUPAC
an alkane
UniProt
A phosphate ion that is the conjugate base of hydrogenphosphate.
CHEBI:14791
CHEBI:45024
CHEBI:7793
Beilstein:3903772
CAS:14265-44-2
Gmelin:1997
KEGG:C00009
PDBeChem:PO4
Reaxys:3903772
phosphate
tetraoxidophosphate(3-)
tetraoxophosphate(3-)
tetraoxophosphate(V)
chebi_ontology
-3
94.953
94.97136
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
NBIIXXVUZAFLBC-UHFFFAOYSA-K
O4P
Orthophosphate
PHOSPHATE ION
PO4(3-)
Phosphate
[O-]P([O-])([O-])=O
[PO4](3-)
CHEBI:18367
phosphate(3-)
Beilstein:3903772
Beilstein
CAS:14265-44-2
ChemIDplus
CAS:14265-44-2
KEGG COMPOUND
Gmelin:1997
Gmelin
PDBeChem:PO4
ChEBI
Reaxys:3903772
Reaxys
phosphate
IUPAC
tetraoxidophosphate(3-)
IUPAC
tetraoxophosphate(3-)
IUPAC
tetraoxophosphate(V)
IUPAC
-3
ChEBI
94.953
ChEBI
94.97136
ChEBI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
ChEBI
NBIIXXVUZAFLBC-UHFFFAOYSA-K
ChEBI
O4P
ChEBI
Orthophosphate
KEGG_COMPOUND
PHOSPHATE ION
PDBeChem
PO4(3-)
IUPAC
Phosphate
KEGG_COMPOUND
[O-]P([O-])([O-])=O
ChEBI
[PO4](3-)
IUPAC
A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate.
CHEBI:1331
CHEBI:14672
CHEBI:19833
chebi_ontology
0
178.003
178.07980
C5H7O5PR2
OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1
nucleoside 3',5'-cyclic phosphates
CHEBI:18375
nucleoside 3',5'-cyclic phosphate
0
ChEBI
178.003
ChEBI
178.07980
ChEBI
C5H7O5PR2
ChEBI
OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1
ChEBI
nucleoside 3',5'-cyclic phosphates
ChEBI
A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.
CHEBI:13212
CHEBI:13426
CHEBI:13660
CHEBI:25547
CHEBI:7584
KEGG:C00726
Nitrile
nitrile
nitriles
chebi_ontology
0
26.003
26.01740
CNR
Nitril
R-CN
[*]C#N
a nitrile
nitrilos
CHEBI:18379
nitrile
Nitrile
KEGG_COMPOUND
nitrile
IUPAC
nitriles
IUPAC
0
ChEBI
26.003
ChEBI
26.01740
ChEBI
CNR
ChEBI
Nitril
ChEBI
R-CN
KEGG_COMPOUND
[*]C#N
ChEBI
a nitrile
UniProt
nitrilos
IUPAC
CHEBI:15227
CHEBI:26941
CHEBI:46393
CHEBI:9530
Beilstein:3595616
DrugBank:DB00152
Drug_Central:2832
Gmelin:334462
KEGG:C00378
KEGG:D08580
KNApSAcK:C00000775
LINCS:LSM-5996
PDBeChem:VIB
Wikipedia:Thiamine
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
chebi_ontology
+1
265.112
265.35574
3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM
Aneurin
Antiberiberi factor
C12H17N4OS
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
JZRWCGZRTZMZEH-UHFFFAOYSA-N
Thiamin
Thiamine
Vitamin B1
thiamine
thiamine(1+) ion
thiaminium
CHEBI:18385
thiamine(1+)
Beilstein:3595616
Beilstein
Drug_Central:2832
DrugCentral
Gmelin:334462
Gmelin
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
IUPAC
+1
ChEBI
265.112
KEGG_COMPOUND
265.35574
ChEBI
3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM
PDBeChem
Aneurin
KEGG_COMPOUND
Antiberiberi factor
KEGG_COMPOUND
C12H17N4OS
KEGG_COMPOUND
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
ChEBI
InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
ChEBI
JZRWCGZRTZMZEH-UHFFFAOYSA-N
ChEBI
Thiamin
KEGG_COMPOUND
Thiamine
KEGG_COMPOUND
Vitamin B1
KEGG_COMPOUND
thiamine
UniProt
thiamine(1+) ion
ChEBI
thiaminium
ChEBI
A gluconate having D-configuration.
CHEBI:12955
CHEBI:20983
CHEBI:20985
Beilstein:3906521
Gmelin:83544
HMDB:HMDB00625
KEGG:C00257
MetaCyc:GLUCONATE
PMID:17439666
Reaxys:3906521
D-gluconate
chebi_ontology
-1
195.050
195.14730
2,3,4,5,6-pentahydroxyhexanoate
C6H11O7
Dextronate
Glycogenate
Glyconate
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3-,4+,5-/m1/s1
Maltonate
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
RGHNJXZEOKUKBD-SQOUGZDYSA-M
CHEBI:18391
D-gluconate
Beilstein:3906521
Beilstein
Gmelin:83544
Gmelin
KEGG:C00257
ChEBI
PMID:17439666
Europe PMC
Reaxys:3906521
Reaxys
D-gluconate
IUPAC
D-gluconate
UniProt
-1
ChEBI
195.050
ChEBI
195.14730
ChEBI
2,3,4,5,6-pentahydroxyhexanoate
HMDB
C6H11O7
ChEBI
Dextronate
HMDB
Glycogenate
HMDB
Glyconate
HMDB
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3-,4+,5-/m1/s1
ChEBI
Maltonate
HMDB
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
ChEBI
RGHNJXZEOKUKBD-SQOUGZDYSA-M
ChEBI
A monocarboxylic acid anion that is the conjugate base of phenylacetic acid.
CHEBI:14779
CHEBI:25975
Beilstein:3539899
Gmelin:327522
MetaCyc:PHENYLACETATE
Reaxys:3539899
UM-BBD_compID:c0211
phenylacetate
chebi_ontology
-1
135.045
135.13998
2-phenylethanoate
C8H7O2
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
WLJVXDMOQOGPHL-UHFFFAOYSA-M
[O-]C(=O)Cc1ccccc1
phenylacetate anion
phenylacetate(1-)
phenylacetic acid anion
CHEBI:18401
phenylacetate
Beilstein:3539899
Beilstein
Gmelin:327522
Gmelin
Reaxys:3539899
Reaxys
UM-BBD_compID:c0211
UM-BBD
phenylacetate
IUPAC
phenylacetate
UniProt
-1
ChEBI
135.045
ChEBI
135.13998
ChEBI
2-phenylethanoate
ChEBI
C8H7O2
ChEBI
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
ChEBI
WLJVXDMOQOGPHL-UHFFFAOYSA-M
ChEBI
[O-]C(=O)Cc1ccccc1
ChEBI
phenylacetate anion
ChEBI
phenylacetate(1-)
ChEBI
phenylacetic acid anion
ChEBI
A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom
CHEBI:13362
CHEBI:5786
CAS:74-90-8
HMDB:HMDB60292
KEGG:C01326
KNApSAcK:C00007569
MetaCyc:HCN
PMID:19849830
PMID:26700190
PMID:26778429
PMID:26823582
PMID:26940198
PMID:27123778
Reaxys:1718793
Wikipedia:Hydrogen_cyanide
Hydrogen cyanide
hydridonitridocarbon
hydrogen cyanide
hydrogen(nitridocarbonate)
methanenitrile
chebi_ontology
0
27.011
27.02530
Blausaeure
C#N
CHN
Cyanwasserstoff
HCN
InChI=1S/CHN/c1-2/h1H
LELOWRISYMNNSU-UHFFFAOYSA-N
[CHN]
formonitrile
hydrocyanic acid
CHEBI:18407
hydrogen cyanide
CAS:74-90-8
ChemIDplus
CAS:74-90-8
KEGG COMPOUND
CAS:74-90-8
NIST Chemistry WebBook
PMID:19849830
Europe PMC
PMID:26700190
Europe PMC
PMID:26778429
Europe PMC
PMID:26823582
Europe PMC
PMID:26940198
Europe PMC
PMID:27123778
Europe PMC
Reaxys:1718793
Reaxys
Hydrogen cyanide
KEGG_COMPOUND
hydridonitridocarbon
IUPAC
hydrogen cyanide
IUPAC
hydrogen cyanide
UniProt
hydrogen(nitridocarbonate)
IUPAC
methanenitrile
IUPAC
0
ChEBI
27.011
KEGG_COMPOUND
27.02530
ChEBI
Blausaeure
ChEBI
C#N
ChEBI
CHN
KEGG_COMPOUND
Cyanwasserstoff
NIST_Chemistry_WebBook
HCN
KEGG_COMPOUND
InChI=1S/CHN/c1-2/h1H
ChEBI
LELOWRISYMNNSU-UHFFFAOYSA-N
ChEBI
[CHN]
IUPAC
formonitrile
IUPAC
hydrocyanic acid
NIST_Chemistry_WebBook
CHEBI:15143
CHEBI:26839
CHEBI:7710
CAS:11062-77-4
Gmelin:487
KEGG:C00704
dioxidanidyl
dioxide(.1-)
superoxide
chebi_ontology
(O2)(.-)
-1
31.990
31.99880
Hyperoxid
InChI=1S/HO2/c1-2/h1H/p-1
O2
O2(-)
O2(.-)
O2-
O2.-
OUUQCZGPVNCOIJ-UHFFFAOYSA-M
Superoxide anion
[O][O-]
dioxide(1-)
hyperoxide
superoxide anion radical
superoxide radical
superoxide radical anion
superoxyde
CHEBI:18421
superoxide
CAS:11062-77-4
ChemIDplus
CAS:11062-77-4
NIST Chemistry WebBook
Gmelin:487
Gmelin
dioxidanidyl
IUPAC
dioxide(.1-)
IUPAC
superoxide
IUPAC
superoxide
UniProt
(O2)(.-)
IUPAC
-1
ChEBI
31.990
KEGG_COMPOUND
31.99880
ChEBI
Hyperoxid
ChEBI
InChI=1S/HO2/c1-2/h1H/p-1
ChEBI
O2
KEGG_COMPOUND
O2(-)
IUPAC
O2(.-)
IUPAC
O2-
KEGG_COMPOUND
O2.-
KEGG_COMPOUND
OUUQCZGPVNCOIJ-UHFFFAOYSA-M
ChEBI
Superoxide anion
KEGG_COMPOUND
[O][O-]
ChEBI
dioxide(1-)
IUPAC
hyperoxide
IUPAC
superoxide anion radical
ChemIDplus
superoxide radical
ChEBI
superoxide radical anion
ChEBI
superoxyde
ChEBI
A tautomer of pyrrole that has the double bonds at positions 2 and 4.
Beilstein:1159
CAS:109-97-7
Gmelin:1705
PMID:1556177
PMID:2917974
1H-pyrrole
chebi_ontology
0
1-aza-2,4-cyclopentadiene
67.042
67.08924
C4H5N
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
KAESVJOAVNADME-UHFFFAOYSA-N
Pyrrol
c1cc[nH]c1
divinyleneimine
divinylenimine
imidole
monopyrrole
pyrrole
CHEBI:19203
1H-pyrrole
Beilstein:1159
Beilstein
CAS:109-97-7
ChemIDplus
CAS:109-97-7
NIST Chemistry WebBook
Gmelin:1705
Gmelin
PMID:1556177
Europe PMC
PMID:2917974
Europe PMC
1H-pyrrole
IUPAC
1H-pyrrole
UniProt
0
ChEBI
1-aza-2,4-cyclopentadiene
ChemIDplus
67.042
ChEBI
67.08924
ChEBI
C4H5N
ChEBI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
ChEBI
KAESVJOAVNADME-UHFFFAOYSA-N
ChEBI
Pyrrol
NIST_Chemistry_WebBook
c1cc[nH]c1
ChEBI
divinyleneimine
ChemIDplus
divinylenimine
NIST_Chemistry_WebBook
imidole
ChemIDplus
monopyrrole
ChemIDplus
pyrrole
ChemIDplus
chebi_ontology
2'-deoxyadenosine 5'-phosphates
CHEBI:19237
2'-deoxyadenosine 5'-phosphate
2'-deoxyadenosine 5'-phosphates
ChEBI
chebi_ontology
2'-deoxyadenosine phosphates
CHEBI:19239
2'-deoxyadenosine phosphate
2'-deoxyadenosine phosphates
ChEBI
chebi_ontology
purine 2'-deoxyribonucleosides
CHEBI:19254
purine 2'-deoxyribonucleoside
purine 2'-deoxyribonucleosides
ChEBI
chebi_ontology
2'-deoxyribonucleotides
CHEBI:19260
2'-deoxyribonucleotide
2'-deoxyribonucleotides
ChEBI
A deoxyaldopentose phosphate in which the deoxyaldopentose is 2-deoxyribose.
CHEBI:60749
chebi_ontology
2-deoxyribose phosphates
deoxyribose phosphate
CHEBI:19569
2-deoxyribose phosphate
2-deoxyribose phosphates
ChEBI
deoxyribose phosphate
ChEBI
chebi_ontology
3',5'-cyclic purine nucleotides
CHEBI:19834
3',5'-cyclic purine nucleotide
3',5'-cyclic purine nucleotides
ChEBI
A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.
CHEBI:112504
CHEBI:3497
CHEBI:41475
Beilstein:1096643
CAS:63527-52-6
DrugBank:DB00493
Drug_Central:546
KEGG:C06885
KEGG:D07647
PDBeChem:CE3
PMID:10866367
PMID:11034276
PMID:11061623
PMID:11677129
PMID:12833570
PMID:1384868
PMID:14512220
PMID:1502708
PMID:15164972
PMID:15361989
PMID:15969234
PMID:1635063
PMID:17006042
PMID:17386217
PMID:18611527
PMID:19741292
PMID:21425867
PMID:24038683
PMID:24211456
PMID:9131470
Patent:DE2556736
Patent:DE2702501
Patent:US4098888
Patent:US4152432
Reaxys:1096643
Wikipedia:Cefotaxime
colombos:CEFOTAXIME
3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
0
455.057
455.46500
C16H17N5O7S2
Cephotaxime
GPRBEKHLDVQUJE-QSWIMTSFSA-N
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
cefotaxima
cefotaxime
cefotaximum
CHEBI:204928
cefotaxime
Beilstein:1096643
Beilstein
CAS:63527-52-6
ChemIDplus
CAS:63527-52-6
DrugBank
CAS:63527-52-6
KEGG COMPOUND
CAS:63527-52-6
KEGG DRUG
Drug_Central:546
DrugCentral
PMID:10866367
ChEMBL
PMID:11034276
Europe PMC
PMID:11061623
Europe PMC
PMID:11677129
ChEMBL
PMID:12833570
Europe PMC
PMID:1384868
Europe PMC
PMID:14512220
Europe PMC
PMID:1502708
Europe PMC
PMID:15164972
Europe PMC
PMID:15361989
Europe PMC
PMID:15969234
Europe PMC
PMID:1635063
ChEMBL
PMID:17006042
Europe PMC
PMID:17386217
Europe PMC
PMID:18611527
Europe PMC
PMID:19741292
Europe PMC
PMID:21425867
Europe PMC
PMID:24038683
Europe PMC
PMID:24211456
Europe PMC
PMID:9131470
Europe PMC
Reaxys:1096643
Reaxys
3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEMBL
(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEMBL
0
ChEBI
455.057
KEGG_COMPOUND
455.46500
ChEBI
C16H17N5O7S2
KEGG_COMPOUND
Cephotaxime
ChemIDplus
GPRBEKHLDVQUJE-QSWIMTSFSA-N
ChEBI
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
ChEBI
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
ChEBI
cefotaxima
ChemIDplus
cefotaxime
KEGG_DRUG
cefotaximum
ChemIDplus
An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19).
chebi_ontology
3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor
3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors
3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor
3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors
3-phosphoshikimate 1-carboxyvinyltransferase inhibitor
3-phosphoshikimate 1-carboxyvinyltransferase inhibitors
5-enolpyruvylshikimate-3-phosphate synthase inhibitor
5-enolpyruvylshikimate-3-phosphate synthase inhibitors
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors
EC 2.5.1.19 inhibitor
EC 2.5.1.19 inhibitors
EPSP synthase inhibitor
EPSP synthase inhibitors
phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor
phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors
CHEBI:20569
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor
3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor
ChEBI
3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors
ChEBI
3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor
ChEBI
3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors
ChEBI
3-phosphoshikimate 1-carboxyvinyltransferase inhibitor
ChEBI
3-phosphoshikimate 1-carboxyvinyltransferase inhibitors
ChEBI
5-enolpyruvylshikimate-3-phosphate synthase inhibitor
ChEBI
5-enolpyruvylshikimate-3-phosphate synthase inhibitors
ChEBI
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors
ChEBI
EC 2.5.1.19 inhibitor
ChEBI
EC 2.5.1.19 inhibitors
ChEBI
EPSP synthase inhibitor
ChEBI
EPSP synthase inhibitors
ChEBI
phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor
ChEBI
phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors
ChEBI
Beilstein:2048472
5beta-cholane
chebi_ontology
0
330.329
330.59028
C24H42
InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
QSHQKIURKJITMZ-OBUPQJQESA-N
[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC
CHEBI:20664
5beta-cholane
Beilstein:2048472
Beilstein
5beta-cholane
IUPAC
0
ChEBI
330.329
ChEBI
330.59028
ChEBI
C24H42
ChEBI
InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
ChEBI
QSHQKIURKJITMZ-OBUPQJQESA-N
ChEBI
[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC
ChEBI
Any aminopurine having the amino substituent at the 2-position.
2-aminopurines
chebi_ontology
CHEBI:20702
2-aminopurines
2-aminopurines
ChEBI
Any compound having 6-aminopurine (adenine) as part of its structure.
PMID:1646334
PMID:18524423
PMID:7342604
6-aminopurines
chebi_ontology
CHEBI:20706
6-aminopurines
PMID:1646334
Europe PMC
PMID:18524423
Europe PMC
PMID:7342604
Europe PMC
6-aminopurines
ChEBI
A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase.
chebi_ontology
CHEBI:20854
ATP synthase inhibitor
D-glucose monophosphate
chebi_ontology
C6H13O9P
D-glucose monophosphates
CHEBI:21006
D-glucose monophosphate
D-glucose monophosphate
ChEBI
C6H13O9P
ChEBI
D-glucose monophosphates
ChEBI
chebi_ontology
glucose phosphates
CHEBI:21008
glucose phosphate
glucose phosphates
ChEBI
aldohexose phosphate
chebi_ontology
aldohexose phosphates
CHEBI:21037
aldohexose phosphate
aldohexose phosphate
ChEBI
aldohexose phosphates
ChEBI
PMID:21885436
Vitamin C
chebi_ontology
vitamina C
vitamine C
vitaminum C
CHEBI:21241
vitamin C
PMID:21885436
Europe PMC
Vitamin C
ChEBI
vitamina C
ChEBI
vitamine C
ChEBI
vitaminum C
ChEBI
The L-enantiomer of idonic acid.
CAS:1114-17-6
ECMDB:ECMDB21376
KEGG:C00770
PMID:1182275
PMID:14973046
Reaxys:1726056
L-idonic acid
chebi_ontology
0
196.058
196.15530
C6H12O7
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5+/m0/s1
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
RGHNJXZEOKUKBD-SKNVOMKLSA-N
CHEBI:21336
L-idonic acid
CAS:1114-17-6
KEGG COMPOUND
PMID:1182275
Europe PMC
PMID:14973046
Europe PMC
Reaxys:1726056
Reaxys
L-idonic acid
IUPAC
0
ChEBI
196.058
ChEBI
196.15530
ChEBI
C6H12O7
ChEBI
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5+/m0/s1
ChEBI
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
ChEBI
RGHNJXZEOKUKBD-SKNVOMKLSA-N
ChEBI
chebi_ontology
C6H12O7
L-idonic acids
CHEBI:21337
idonic acid
C6H12O7
ChEBI
L-idonic acids
ChEBI
An L-amino acid having an N-acetyl substituent.
chebi_ontology
CHEBI:21545
N-acetyl-L-amino acid
An N-acyl-amino acid that has acetyl as the acyl group.
CHEBI:7105
chebi_ontology
N-Acetyl amino acid
N-acetyl-amino acids
CHEBI:21575
N-acetyl-amino acid
N-Acetyl amino acid
KEGG_COMPOUND
N-acetyl-amino acids
ChEBI
Any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine.
N-acetyl-D-hexosamine
chebi_ontology
0
221.090
221.208
C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O
C8H15NO6
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1
N-acetyl-D-hexosamines
N-acetylhexosamine
N-acetylhexosamines
OVRNDRQMDRJTHS-BKJPEWSUSA-N
CHEBI:21601
N-acetyl-D-hexosamine
N-acetyl-D-hexosamine
UniProt
0
ChEBI
221.090
ChEBI
221.208
ChEBI
C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O
ChEBI
C8H15NO6
ChEBI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1
ChEBI
N-acetyl-D-hexosamines
ChEBI
N-acetylhexosamine
ChEBI
N-acetylhexosamines
ChEBI
OVRNDRQMDRJTHS-BKJPEWSUSA-N
ChEBI
chebi_ontology
N-acetylneuraminate
CHEBI:21619
N-acetylneuraminates
N-acetylneuraminate
ChEBI
chebi_ontology
CHEBI:21622
N-acetylneuraminic acids
chebi_ontology
N-acyl-D-glucosamine phosphates
CHEBI:21637
N-acyl-D-glucosamine phosphate
N-acyl-D-glucosamine phosphates
ChEBI
N-acylglucosamine
chebi_ontology
N-acylglucosamines
CHEBI:21638
N-acylglucosamine
N-acylglucosamine
ChEBI
N-acylglucosamines
ChEBI
Any N-acylamino acid having L-configuration.
chebi_ontology
CHEBI:21644
N-acyl-L-amino acid
N-acylgalactosamine
chebi_ontology
N-acylgalactosamines
CHEBI:21655
N-acylgalactosamine
N-acylgalactosamine
ChEBI
N-acylgalactosamines
ChEBI
N-acyl-hexosamine
chebi_ontology
N-acyl-hexosamines
CHEBI:21656
N-acyl-hexosamine
N-acyl-hexosamine
ChEBI
N-acyl-hexosamines
ChEBI
chebi_ontology
N-acylneuraminate
CHEBI:21663
N-acylneuraminates
N-acylneuraminate
ChEBI
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.
glycosylamine
chebi_ontology
N-glycoside
N-glycosides
N-glycosyl compounds
glycosylamines
CHEBI:21731
N-glycosyl compound
glycosylamine
IUPAC
N-glycoside
ChEBI
N-glycosides
ChEBI
N-glycosyl compounds
ChEBI
glycosylamines
IUPAC
An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position
CHEBI:34872
Beilstein:1779490
CAS:70-25-7
KEGG:C14592
1-methyl-3-nitro-1-nitrosoguanidine
N-Methyl-N'-nitro-N-nitrosoguanidine
chebi_ontology
0
1-Methyl-1-nitroso-3-nitroguanidine
1-Methyl-3-nitro-1-nitrosoguanidine
1-Nitroso-3-nitro-1-methylguanidine
147.039
147.09280
C2H5N5O3
CN(N=O)C(=N)N[N+]([O-])=O
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
MNG
MNNG
Methylnitronitrosoguanidine
N'-Nitro-N-nitroso-N-methylguanidine
N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide
N-Methyl-N-nitroso-N'-nitroguanidine
N-Methyl-N-nitrosonitroguanidin
N-Nitroso-N-methyl-N'-nitroguanidine
VZUNGTLZRAYYDE-UHFFFAOYSA-N
CHEBI:21759
N-methyl-N'-nitro-N-nitrosoguanidine
Beilstein:1779490
Beilstein
CAS:70-25-7
ChemIDplus
CAS:70-25-7
KEGG COMPOUND
CAS:70-25-7
NIST Chemistry WebBook
1-methyl-3-nitro-1-nitrosoguanidine
IUPAC
N-Methyl-N'-nitro-N-nitrosoguanidine
KEGG_COMPOUND
0
ChEBI
1-Methyl-1-nitroso-3-nitroguanidine
ChemIDplus
1-Methyl-3-nitro-1-nitrosoguanidine
KEGG_COMPOUND
1-Nitroso-3-nitro-1-methylguanidine
ChemIDplus
147.039
ChEBI
147.09280
ChEBI
C2H5N5O3
ChEBI
CN(N=O)C(=N)N[N+]([O-])=O
ChEBI
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
ChEBI
MNG
ChemIDplus
MNNG
ChemIDplus
MNNG
KEGG_COMPOUND
Methylnitronitrosoguanidine
KEGG_COMPOUND
N'-Nitro-N-nitroso-N-methylguanidine
ChemIDplus
N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide
NIST_Chemistry_WebBook
N-Methyl-N-nitroso-N'-nitroguanidine
ChEBI
N-Methyl-N-nitroso-N'-nitroguanidine
ChemIDplus
N-Methyl-N-nitrosonitroguanidin
ChEBI
N-Nitroso-N-methyl-N'-nitroguanidine
ChemIDplus
VZUNGTLZRAYYDE-UHFFFAOYSA-N
ChEBI
An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).
CHEBI:35813
sulfoxide
chebi_ontology
S-oxides
sulfoxides
CHEBI:22063
sulfoxide
sulfoxide
ChEBI
S-oxides
ChEBI
sulfoxides
ChEBI
Compounds with the general formula RNHC(=O)CH3.
chebi_ontology
CHEBI:22160
acetamides
An acetyl-amino acid in which the amino acid specified is L-serine.
chebi_ontology
acetyl-L-serines
CHEBI:22194
acetyl-L-serine
acetyl-L-serines
ChEBI
Any amino acid derivative that is the N-acetyl or O-acetyl derivative of an amino acid.
chebi_ontology
acetyl-amino acids
CHEBI:22195
acetyl-amino acid
acetyl-amino acids
ChEBI
chebi_ontology
CHEBI:22213
acridines
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.
acyl group
alkanoyl
chebi_ontology
acyl groups
alkanoyl group
groupe acyle
CHEBI:22221
acyl group
acyl group
IUPAC
alkanoyl
IUPAC
acyl groups
ChEBI
alkanoyl group
ChEBI
groupe acyle
IUPAC
chebi_ontology
adenosine bisphosphates
CHEBI:22251
adenosine bisphosphate
adenosine bisphosphates
ChEBI
chebi_ontology
adenosine phosphates
CHEBI:22256
adenosine phosphate
adenosine phosphates
ChEBI
chebi_ontology
CHEBI:22260
adenosines
chebi_ontology
aldarate
aldarates
aldaric acid anions
CHEBI:22289
aldaric acid anion
aldarate
ChEBI
aldarates
ChEBI
aldaric acid anions
ChEBI
Dicarboxylic acids formed from aldoses by replacement of both terminal groups (CHO and CH2OH) by carboxy groups.
aldaric acid
chebi_ontology
aldaric acids
CHEBI:22290
aldaric acid
aldaric acid
ChEBI
aldaric acids
ChEBI
alditol phosphate
chebi_ontology
alditol phosphates
CHEBI:22297
alditol phosphate
alditol phosphate
ChEBI
alditol phosphates
ChEBI
aldonate
chebi_ontology
aldonates
CHEBI:22299
aldonate
aldonate
ChEBI
aldonates
ChEBI
Any carbohydrate acid formed by oxidising the aldehyde functional group of an aldose to a carboxylic acid functional group. Aldonic acids have the general formula HOCH2[CH(OH)]nC(=O)OH.
aldonic acid
chebi_ontology
aldonic acids
CHEBI:22301
aldonic acid
aldonic acid
ChEBI
aldonic acids
ChEBI
alkaline earth metals
chebi_ontology
Erdalkalimetall
Erdalkalimetalle
alkaline earth metal
alkaline-earth metal
alkaline-earth metals
metal alcalino-terreux
metal alcalinoterreo
metales alcalinoterreos
metaux alcalino-terreux
CHEBI:22313
alkaline earth metal atom
alkaline earth metals
IUPAC
Erdalkalimetall
ChEBI
Erdalkalimetalle
ChEBI
alkaline earth metal
ChEBI
alkaline-earth metal
ChEBI
alkaline-earth metals
ChEBI
metal alcalino-terreux
ChEBI
metal alcalinoterreo
ChEBI
metales alcalinoterreos
ChEBI
metaux alcalino-terreux
ChEBI
alkali metals
chebi_ontology
Alkalimetall
Alkalimetalle
alkali metal
metal alcalin
metal alcalino
metales alcalinos
metaux alcalins
CHEBI:22314
alkali metal atom
alkali metals
IUPAC
Alkalimetall
ChEBI
Alkalimetalle
ChEBI
alkali metal
ChEBI
metal alcalin
ChEBI
metal alcalino
ChEBI
metales alcalinos
ChEBI
metaux alcalins
ChEBI
A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom.
alkyl group
alkyl groups
chebi_ontology
groupe alkyle
grupo alquilo
grupos alquilo
CHEBI:22323
alkyl group
alkyl group
IUPAC
alkyl groups
IUPAC
groupe alkyle
IUPAC
grupo alquilo
IUPAC
grupos alquilo
IUPAC
chebi_ontology
alkyl phosphates
CHEBI:22324
alkyl phosphate
alkyl phosphates
ChEBI
Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups.
chebi_ontology
CHEBI:22331
alkylamines
Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
chebi_ontology
CHEBI:22333
alkylating agent
amino cyclitol glycoside
chebi_ontology
amino cyclitol glycosides
CHEBI:22479
amino cyclitol glycoside
amino cyclitol glycoside
ChEBI
amino cyclitol glycosides
ChEBI
A disaccharide derivative that is a disaccharide having one or more substituted or unsubstituted amino groups in place of hydroxy groups at unspecified positions.
chebi_ontology
amino-disaccharides
CHEBI:22480
amino disaccharide
amino-disaccharides
ChEBI
chebi_ontology
amino oligosaccharides
CHEBI:22483
amino oligosaccharide
amino oligosaccharides
ChEBI
chebi_ontology
aminobenzoates
CHEBI:22494
aminobenzoate
aminobenzoates
ChEBI
aminobenzoic acid
chebi_ontology
Aminobenzoesaeure
C7H7NO2
CHEBI:22495
aminobenzoic acid
aminobenzoic acid
IUPAC
Aminobenzoesaeure
ChEBI
C7H7NO2
ChEBI
chebi_ontology
aminoglycoside antibiotics
CHEBI:22507
aminoglycoside antibiotic
aminoglycoside antibiotics
ChEBI
Any purine having at least one amino substituent.
chebi_ontology
aminopurines
CHEBI:22527
aminopurine
aminopurines
ChEBI
amino sugar phosphate
chebi_ontology
amino sugar phosphates
CHEBI:22529
amino sugar phosphate
amino sugar phosphate
ChEBI
amino sugar phosphates
ChEBI
Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives.
chebi_ontology
CHEBI:22562
anilines
A monoatomic or polyatomic species having one or more elementary charges of the electron.
Anion
anion
chebi_ontology
Anionen
aniones
anions
CHEBI:22563
anion
Anion
ChEBI
anion
ChEBI
anion
IUPAC
Anionen
ChEBI
aniones
ChEBI
anions
IUPAC
A class of macrocyclic lactams that consist of an aromatic (phenyl or naphthyl) or quinonoid (benzoquinone or naphthoquinone) moiety that is bridged by an aliphatic chain.
Wikipedia:Ansamycin
chebi_ontology
CHEBI:22565
ansamycin
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
chebi_ontology
antioxidants
antioxydant
antoxidant
CHEBI:22586
antioxidant
antioxidants
ChEBI
antioxydant
ChEBI
antoxidant
ChEBI
A substance that destroys or inhibits replication of viruses.
chebi_ontology
anti-viral agent
anti-viral agents
antiviral
antiviral agents
antivirals
CHEBI:22587
antiviral agent
anti-viral agent
ChEBI
anti-viral agents
ChEBI
antiviral
ChEBI
antiviral agents
ChEBI
antivirals
ChEBI
CHEBI:33943
CAS:147-81-9
HMDB:HMDB29942
Wikipedia:Arabinose
colombos:ARABINOSE
arabino-pentose
arabinose
chebi_ontology
0
150.12990
Ara
C5H10O5
CHEBI:22599
arabinose
CAS:147-81-9
ChemIDplus
arabino-pentose
IUPAC
arabinose
ChEBI
arabinose
IUPAC
0
ChEBI
150.12990
ChEBI
Ara
JCBN
C5H10O5
ChEBI
arsenic molecular entity
chebi_ontology
arsenic compounds
arsenic molecular entities
CHEBI:22632
arsenic molecular entity
arsenic molecular entity
ChEBI
arsenic compounds
ChEBI
arsenic molecular entities
ChEBI
An arsenic oxoanion resulting from the removal of one or more protons from arsenous acid.
chebi_ontology
arsenite anions
arsenite ions
CHEBI:22633
arsenite ion
arsenite anions
ChEBI
arsenite ions
ChEBI
A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system.
chebi_ontology
arenecarboxamides
CHEBI:22645
arenecarboxamide
arenecarboxamides
ChEBI
A ketoaldonate that is the conjugate base of ascorbic acid.
chebi_ontology
CHEBI:22651
ascorbate
chebi_ontology
CHEBI:22652
ascorbic acid
An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.
Beilstein:1723525
CAS:3130-87-8
Gmelin:279043
KEGG:C16438
PMID:22264337
PMID:22770225
Reaxys:1723525
Wikipedia:Asparagine
asparagine
chebi_ontology
0
132.053
132.11800
2,4-diamino-4-oxobutanoic acid
2-amino-3-carbamoylpropanoic acid
ASN
Asn
Asparagin
C4H8N2O3
DCXYFEDJOCDNAF-UHFFFAOYSA-N
DL-Asparagine
Hasp
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
N
NC(CC(N)=O)C(O)=O
asparagina
CHEBI:22653
asparagine
Beilstein:1723525
Beilstein
CAS:3130-87-8
ChemIDplus
Gmelin:279043
Gmelin
PMID:22264337
Europe PMC
PMID:22770225
Europe PMC
Reaxys:1723525
Reaxys
asparagine
IUPAC
0
ChEBI
132.053
ChEBI
132.11800
ChEBI
2,4-diamino-4-oxobutanoic acid
IUPAC
2-amino-3-carbamoylpropanoic acid
JCBN
ASN
ChEBI
Asn
ChEBI
Asparagin
ChEBI
C4H8N2O3
ChEBI
DCXYFEDJOCDNAF-UHFFFAOYSA-N
ChEBI
DL-Asparagine
KEGG_COMPOUND
Hasp
IUPAC
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
ChEBI
N
ChEBI
NC(CC(N)=O)C(O)=O
ChEBI
asparagina
ChEBI
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.
PMID:4386082
PMID:4394351
PMID:4721772
PMID:5016260
PMID:5074276
chebi_ontology
aspartate family amino acids
aspartic acid family amino acid
aspartic acid family amino acids
oxaloacetate family amino acid
oxaloacetate family amino acids
oxaloacetate/aspartate family amino acid
oxaloacetate/aspartate family amino acids
CHEBI:22658
aspartate family amino acid
PMID:4386082
Europe PMC
PMID:4394351
Europe PMC
PMID:4721772
Europe PMC
PMID:5016260
Europe PMC
PMID:5074276
Europe PMC
aspartate family amino acids
ChEBI
aspartic acid family amino acid
ChEBI
aspartic acid family amino acids
ChEBI
oxaloacetate family amino acid
ChEBI
oxaloacetate family amino acids
ChEBI
oxaloacetate/aspartate family amino acid
ChEBI
oxaloacetate/aspartate family amino acids
ChEBI
An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent
Beilstein:774618
CAS:617-45-8
Gmelin:185140
KEGG:C16433
PMID:22264337
Reaxys:774618
Wikipedia:Aspartic_acid
Aspartic acid
aspartic acid
chebi_ontology
(+-)-Aspartic acid
(R,S)-Aspartic acid
0
133.038
133.10272
2-aminobutanedioic acid
Asp
C4H7NO4
CKLJMWTZIZZHCS-UHFFFAOYSA-N
D
DL-Aminosuccinic acid
DL-Asparagic acid
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
NC(CC(O)=O)C(O)=O
CHEBI:22660
aspartic acid
Beilstein:774618
Beilstein
CAS:617-45-8
ChemIDplus
CAS:617-45-8
KEGG COMPOUND
CAS:617-45-8
NIST Chemistry WebBook
Gmelin:185140
Gmelin
PMID:22264337
Europe PMC
Reaxys:774618
Reaxys
Aspartic acid
KEGG_COMPOUND
aspartic acid
IUPAC
(+-)-Aspartic acid
ChemIDplus
(R,S)-Aspartic acid
ChemIDplus
0
ChEBI
133.038
ChEBI
133.10272
ChEBI
2-aminobutanedioic acid
IUPAC
Asp
ChEBI
C4H7NO4
ChEBI
CKLJMWTZIZZHCS-UHFFFAOYSA-N
ChEBI
D
ChEBI
DL-Aminosuccinic acid
ChemIDplus
DL-Asparagic acid
ChemIDplus
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
ChEBI
NC(CC(O)=O)C(O)=O
ChEBI
Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").
Wikipedia:Auxin
chebi_ontology
auxins
CHEBI:22676
auxin
auxins
ChEBI
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).
KEGG:C00701
Base
base
chebi_ontology
Base1
Base2
Basen
Nucleobase
bases
CHEBI:22695
base
Base
ChEBI
base
ChEBI
base
IUPAC
Base1
KEGG_COMPOUND
Base2
KEGG_COMPOUND
Basen
ChEBI
Nucleobase
KEGG_COMPOUND
bases
ChEBI
chebi_ontology
CHEBI:22702
benzamides
Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
chebi_ontology
CHEBI:22712
benzenes
A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid.
chebi_ontology
benzoate anion
CHEBI:22718
benzoates
benzoate anion
ChEBI
Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
chebi_ontology
CHEBI:22723
benzoic acids
Wikipedia:Benzopyran
chebi_ontology
benzopyrans
CHEBI:22727
benzopyran
benzopyrans
ChEBI
chebi_ontology
benzopyrroles
CHEBI:22728
benzopyrrole
benzopyrroles
ChEBI
benzyl
chebi_ontology
0
91.055
91.13048
Bn
C6H5-CH2-
C7H7
phenylalanine side-chain
phenylmethyl
CHEBI:22744
benzyl group
benzyl
IUPAC
0
ChEBI
91.055
ChEBI
91.13048
ChEBI
Bn
ChEBI
C6H5-CH2-
IUPAC
C7H7
ChEBI
phenylalanine side-chain
ChEBI
phenylmethyl
IUPAC
chebi_ontology
beta-alanine derivatives
CHEBI:22823
beta-alanine derivative
beta-alanine derivatives
ChEBI
Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries three methyl substituents.
chebi_ontology
amino acid betaines
amino-acid betaines
betaines
CHEBI:22860
amino-acid betaine
amino acid betaines
ChEBI
amino-acid betaines
ChEBI
betaines
ChEBI
A sodium salt of the conjugate of any bile acid with either glycine or taurine.
KEGG:C01558
chebi_ontology
Bile acid
bile salts
CHEBI:22868
bile salt
Bile acid
KEGG_COMPOUND
bile salts
ChEBI
Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents
chebi_ontology
branched chain amino acids
CHEBI:22918
branched-chain amino acid
branched chain amino acids
ChEBI
chebi_ontology
bromide salts
bromides
CHEBI:22925
bromide salt
bromide salts
ChEBI
bromides
ChEBI
WebElements:Br
bromine
chebi_ontology
0
35Br
78.918
79.90400
Br
Brom
InChI=1S/Br
WKBOTKDWSSQWDR-UHFFFAOYSA-N
[Br]
brome
bromine
bromo
bromum
CHEBI:22927
bromine atom
bromine
IUPAC
0
ChEBI
35Br
IUPAC
78.918
ChEBI
79.90400
ChEBI
Br
ChEBI
Br
ChEBI
Brom
ChEBI
InChI=1S/Br
ChEBI
WKBOTKDWSSQWDR-UHFFFAOYSA-N
ChEBI
[Br]
ChEBI
brome
ChEBI
bromine
ChEBI
bromo
ChEBI
bromum
ChEBI
bromine molecular entity
chebi_ontology
bromine compounds
bromine molecular entities
CHEBI:22928
bromine molecular entity
bromine molecular entity
ChEBI
bromine compounds
ChEBI
bromine molecular entities
ChEBI
Any gamma-lactone having the lactone moiety derived from 4-hydroxybutanoic acid.
chebi_ontology
butan-4-olides
butanolide
CHEBI:22950
butan-4-olide
butan-4-olides
ChEBI
butanolide
ChEBI
Beilstein:8132074
but-2-enedioic acid
chebi_ontology
0
116.011
116.07216
2-butenedioic acid
C4H4O4
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
VZCYOOQTPOCHFL-UHFFFAOYSA-N
[H]C(=C([H])C(O)=O)C(O)=O
CHEBI:22958
butenedioic acid
Beilstein:8132074
Beilstein
but-2-enedioic acid
IUPAC
0
ChEBI
116.011
ChEBI
116.07216
ChEBI
2-butenedioic acid
ChEBI
C4H4O4
ChEBI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
ChEBI
VZCYOOQTPOCHFL-UHFFFAOYSA-N
ChEBI
[H]C(=C([H])C(O)=O)C(O)=O
ChEBI
CAS:7440-43-9
KEGG:C01413
WebElements:Cd
cadmium
chebi_ontology
0
112.41100
113.903
48Cd
BDOSMKKIYDKNTQ-UHFFFAOYSA-N
Cd
InChI=1S/Cd
Kadmium
[Cd]
cadmio
cadmium
CHEBI:22977
cadmium atom
CAS:7440-43-9
ChemIDplus
CAS:7440-43-9
KEGG COMPOUND
CAS:7440-43-9
NIST Chemistry WebBook
KEGG:C01413
ChEBI
cadmium
IUPAC
0
ChEBI
112.41100
ChEBI
113.903
ChEBI
48Cd
IUPAC
BDOSMKKIYDKNTQ-UHFFFAOYSA-N
ChEBI
Cd
ChEBI
Cd
IUPAC
InChI=1S/Cd
ChEBI
Kadmium
NIST_Chemistry_WebBook
[Cd]
ChEBI
cadmio
ChEBI
cadmium
ChEBI
chebi_ontology
cadmium compounds
cadmium molecular entities
CHEBI:22978
cadmium molecular entity
cadmium compounds
ChEBI
cadmium molecular entities
ChEBI
CAS:7440-70-2
DrugBank:DB01373
KEGG:C00076
WebElements:Ca
calcium
chebi_ontology
0
20Ca
39.963
40.07800
Ca
Calcium
InChI=1S/Ca
Kalzium
OYPRJOBELJOOCE-UHFFFAOYSA-N
[Ca]
calcio
calcium
CHEBI:22984
calcium atom
CAS:7440-70-2
ChemIDplus
KEGG:C00076
ChEBI
calcium
IUPAC
0
ChEBI
20Ca
IUPAC
39.963
ChEBI
40.07800
ChEBI
Ca
ChEBI
Ca
IUPAC
Calcium
KEGG_COMPOUND
InChI=1S/Ca
ChEBI
Kalzium
ChEBI
OYPRJOBELJOOCE-UHFFFAOYSA-N
ChEBI
[Ca]
ChEBI
calcio
ChEBI
calcium
ChEBI
calcium molecular entity
chebi_ontology
calcium compounds
calcium molecular entities
CHEBI:22985
calcium molecular entity
calcium molecular entity
ChEBI
calcium compounds
ChEBI
calcium molecular entities
ChEBI
Any ester of carbamic acid or its N-substituted derivatives.
Wikipedia:Carbamate
chebi_ontology
carbamate esters
carbamates
CHEBI:23003
carbamate ester
carbamate esters
ChEBI
carbamates
ChEBI
The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.
PMID:24168430
carbamoyl
chebi_ontology
-C(O)NH2
-CONH2
0
44.014
44.03272
CH2NO
aminocarbonyl
carbamyl
carbamyl group
carboxamide
CHEBI:23004
carbamoyl group
PMID:24168430
Europe PMC
carbamoyl
IUPAC
-C(O)NH2
ChEBI
-CONH2
IUPAC
0
ChEBI
44.014
ChEBI
44.03272
ChEBI
CH2NO
ChEBI
aminocarbonyl
IUPAC
carbamyl
ChEBI
carbamyl group
ChEBI
carboxamide
IUPAC
Any carbohydrate derivative that exhibits antibiotic activity.
chebi_ontology
CHEBI:23007
carbohydrate-containing antibiotic
chebi_ontology
carbon oxides
oxides of carbon
CHEBI:23014
carbon oxide
carbon oxides
ChEBI
oxides of carbon
ChEBI
An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule.
Wikipedia:Carbonic_anhydrase_inhibitor
chebi_ontology
EC 4.2.1.1 (carbonic anhydrase) inhibitors
EC 4.2.1.1 inhibitor
EC 4.2.1.1 inhibitors
anhydrase inhibitor
anhydrase inhibitors
carbonate anhydrase inhibitor
carbonate anhydrase inhibitors
carbonate dehydratase inhibitor
carbonate dehydratase inhibitors
carbonate hydro-lyase (carbon-dioxide-forming) inhibitor
carbonate hydro-lyase (carbon-dioxide-forming) inhibitors
carbonate hydro-lyase inhibitor
carbonate hydro-lyase inhibitors
carbonic acid anhydrase inhibitor
carbonic acid anhydrase inhibitors
carbonic anhydrase (EC 4.2.1.1) inhibitor
carbonic anhydrase (EC 4.2.1.1) inhibitors
carbonic anhydrase A inhibitor
carbonic anhydrase A inhibitors
carbonic anhydrase inhibitor
carbonic anhydrase inhibitors
carboxyanhydrase inhibitor
carboxyanhydrase inhibitors
CHEBI:23018
EC 4.2.1.1 (carbonic anhydrase) inhibitor
EC 4.2.1.1 (carbonic anhydrase) inhibitors
ChEBI
EC 4.2.1.1 inhibitor
ChEBI
EC 4.2.1.1 inhibitors
ChEBI
anhydrase inhibitor
ChEBI
anhydrase inhibitors
ChEBI
carbonate anhydrase inhibitor
ChEBI
carbonate anhydrase inhibitors
ChEBI
carbonate dehydratase inhibitor
ChEBI
carbonate dehydratase inhibitors
ChEBI
carbonate hydro-lyase (carbon-dioxide-forming) inhibitor
ChEBI
carbonate hydro-lyase (carbon-dioxide-forming) inhibitors
ChEBI
carbonate hydro-lyase inhibitor
ChEBI
carbonate hydro-lyase inhibitors
ChEBI
carbonic acid anhydrase inhibitor
ChEBI
carbonic acid anhydrase inhibitors
ChEBI
carbonic anhydrase (EC 4.2.1.1) inhibitor
ChEBI
carbonic anhydrase (EC 4.2.1.1) inhibitors
ChEBI
carbonic anhydrase A inhibitor
ChEBI
carbonic anhydrase A inhibitors
ChEBI
carbonic anhydrase inhibitor
ChEBI
carbonic anhydrase inhibitors
ChEBI
carboxyanhydrase inhibitor
ChEBI
carboxyanhydrase inhibitors
ChEBI
carbonyl
carbonyl group
chebi_ontology
0
27.995
28.01010
>C=O
CO
CHEBI:23019
carbonyl group
carbonyl
IUPAC
carbonyl group
ChEBI
carbonyl group
UniProt
0
ChEBI
27.995
ChEBI
28.01010
ChEBI
>C=O
IUPAC
CO
ChEBI
A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy.
CHEBI:3538
KEGG:C00875
PMID:10069359
PMID:11936371
PMID:12833570
PMID:24269048
PMID:3320614
PMID:6762896
PMID:8426246
Wikipedia:Cephalosporin
Cephalosporin
chebi_ontology
0
182.999
183.18500
C7H5NO3SR2
[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O
cephalosphorin
cephalosphorins
cephalosporins
CHEBI:23066
cephalosporin
PMID:10069359
Europe PMC
PMID:11936371
Europe PMC
PMID:12833570
Europe PMC
PMID:24269048
Europe PMC
PMID:3320614
Europe PMC
PMID:6762896
Europe PMC
PMID:8426246
Europe PMC
Cephalosporin
KEGG_COMPOUND
0
ChEBI
182.999
ChEBI
183.18500
ChEBI
C7H5NO3SR2
ChEBI
[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O
ChEBI
cephalosphorin
ChEBI
cephalosphorins
ChEBI
cephalosporins
ChEBI
Any of the chitobioses acetylated on both amino nitrogens.
chebi_ontology
C16H28N2O11
CHEBI:23101
N,N'-diacetylchitobioses
C16H28N2O11
ChEBI
chebi_ontology
chloride salts
chlorides
CHEBI:23114
chloride salt
chloride salts
ChEBI
chlorides
ChEBI
WebElements:Cl
chlorine
chebi_ontology
0
17Cl
34.969
35.45270
Chlor
Cl
InChI=1S/Cl
ZAMOUSCENKQFHK-UHFFFAOYSA-N
[Cl]
chlore
chlorine
chlorum
cloro
CHEBI:23116
chlorine atom
chlorine
IUPAC
0
ChEBI
17Cl
IUPAC
34.969
ChEBI
35.45270
ChEBI
Chlor
ChEBI
Cl
ChEBI
Cl
IUPAC
InChI=1S/Cl
ChEBI
ZAMOUSCENKQFHK-UHFFFAOYSA-N
ChEBI
[Cl]
ChEBI
chlore
ChEBI
chlorine
ChEBI
chlorum
ChEBI
cloro
ChEBI
A halogen molecular entity containing one or more atoms of chlorine.
chebi_ontology
CHEBI:23117
chlorine molecular entity
A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid.
CAS:14526-03-5
MetaCyc:CHLOROACETIC-ACID
Reaxys:1903575
UM-BBD_compID:c0007
chloroacetate
chebi_ontology
-1
92.974
93.48900
C2H2ClO2
Chloroacetic acid ion(1-)
FOCAUTSVDIKZOP-UHFFFAOYSA-M
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
[O-]C(=O)CCl
chloroacetate anion
chloroacetate(1-)
mono-chloroacetate
monochloroacetate anion
monochloroacetic acid anion
CHEBI:23123
chloroacetate
CAS:14526-03-5
ChemIDplus
Reaxys:1903575
Reaxys
UM-BBD_compID:c0007
UM-BBD
chloroacetate
IUPAC
chloroacetate
UniProt
-1
ChEBI
92.974
ChEBI
93.48900
ChEBI
C2H2ClO2
ChEBI
Chloroacetic acid ion(1-)
ChEBI
FOCAUTSVDIKZOP-UHFFFAOYSA-M
ChEBI
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
ChEBI
[O-]C(=O)CCl
ChEBI
chloroacetate anion
ChEBI
chloroacetate(1-)
ChEBI
mono-chloroacetate
ChEBI
monochloroacetate anion
ChEBI
monochloroacetic acid anion
ChEBI
Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines.
chebi_ontology
CHEBI:23132
chlorobenzenes
An organophosphate oxoanion that is the dianion of glycerol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Beilstein:1873731
Gmelin:602374
Reaxys:1873731
2,3-dihydroxypropyl phosphate
chebi_ontology
-2
169.998
170.05780
AWUCVROLDVIAJX-UHFFFAOYSA-L
C3H7O6P
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2
OCC(O)COP([O-])([O-])=O
glycerol 1-phosphate
glycerol 1-phosphate dianion
CHEBI:231935
glycerol 1-phosphate(2-)
Beilstein:1873731
Beilstein
Gmelin:602374
Gmelin
Reaxys:1873731
Reaxys
2,3-dihydroxypropyl phosphate
IUPAC
-2
ChEBI
169.998
ChEBI
170.05780
ChEBI
AWUCVROLDVIAJX-UHFFFAOYSA-L
ChEBI
C3H7O6P
ChEBI
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2
ChEBI
OCC(O)COP([O-])([O-])=O
ChEBI
glycerol 1-phosphate
UniProt
glycerol 1-phosphate dianion
ChEBI
A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof.
chebi_ontology
CHEBI:23217
cholines
chebi_ontology
CHEBI:23232
chromenes
The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized.
Wikipedia:Chromophore
chromophore
chebi_ontology
chromophores
CHEBI:23240
chromophore
chromophore
IUPAC
chromophores
ChEBI
cobalt cation
chebi_ontology
Co
cobalt cations
CHEBI:23336
cobalt cation
cobalt cation
IUPAC
cobalt cation
UniProt
Co
ChEBI
cobalt cations
ChEBI
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
coenzyme
chebi_ontology
coenzymes
CHEBI:23354
coenzyme
coenzyme
IUPAC
coenzymes
ChEBI
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).
Wikipedia:Cofactor_(biochemistry)
cofactor
cofactors
chebi_ontology
CHEBI:23357
cofactor
cofactor
IUPAC
cofactors
IUPAC
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
molecular entity
chebi_ontology
entidad molecular
entidades moleculares
entite moleculaire
molecular entities
molekulare Entitaet
CHEBI:23367
molecular entity
molecular entity
IUPAC
entidad molecular
IUPAC
entidades moleculares
IUPAC
entite moleculaire
IUPAC
molecular entities
IUPAC
molekulare Entitaet
ChEBI
copper molecular entity
chebi_ontology
copper compounds
copper molecular entities
CHEBI:23377
copper molecular entity
copper molecular entity
ChEBI
copper compounds
ChEBI
copper molecular entities
ChEBI
copper cation
chebi_ontology
Cu
Cu cation
copper cations
CHEBI:23378
copper cation
copper cation
IUPAC
Cu
ChEBI
Cu cation
UniProt
copper cations
ChEBI
chebi_ontology
CHEBI:23403
coumarins
A metal sulfate compound having copper(2+) as the metal ion.
CAS:7758-98-7
Gmelin:8294
KEGG:C18713
PMID:10469300
PMID:8566016
Wikipedia:Copper(II)_sulfate
colombos:CuSO4
Copper(II) sulfate
copper(2+) sulfate
copper(II) sulfate
chebi_ontology
0
158.881
159.60960
ARUVKPQLZAKDPS-UHFFFAOYSA-L
CuO4S
CuSO4
Cupric sulfate
InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
[Cu++].[O-]S([O-])(=O)=O
copper sulfate
cupric sulfate anhydrous
CHEBI:23414
copper(II) sulfate
CAS:7758-98-7
ChemIDplus
CAS:7758-98-7
KEGG COMPOUND
Gmelin:8294
Gmelin
PMID:10469300
Europe PMC
PMID:8566016
Europe PMC
Copper(II) sulfate
KEGG_COMPOUND
copper(2+) sulfate
IUPAC
copper(II) sulfate
IUPAC
0
ChEBI
158.881
ChEBI
159.60960
ChEBI
ARUVKPQLZAKDPS-UHFFFAOYSA-L
ChEBI
CuO4S
ChEBI
CuSO4
IUPAC
Cupric sulfate
ChemIDplus
InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
ChEBI
[Cu++].[O-]S([O-])(=O)=O
ChEBI
copper sulfate
ChemIDplus
cupric sulfate anhydrous
ChemIDplus
pseudohalogen oxoacid
chebi_ontology
pseudohalogen oxoacids
CHEBI:23423
pseudohalogen oxoacid
pseudohalogen oxoacid
ChEBI
pseudohalogen oxoacids
ChEBI
Salts and C-organyl derivatives of hydrogen cyanide, HC#N.
cyanides
chebi_ontology
CHEBI:23424
cyanides
cyanides
IUPAC
CHEBI:3990
cyclic amide
chebi_ontology
cyclic amides
CHEBI:23443
cyclic amide
cyclic amide
ChEBI
cyclic amides
ChEBI
chebi_ontology
cyclic nucleotides
CHEBI:23447
cyclic nucleotide
cyclic nucleotides
ChEBI
chebi_ontology
Cyclopeptid
Zyklopeptid
cyclic peptides
peptide cyclique
peptido ciclico
CHEBI:23449
cyclic peptide
Cyclopeptid
ChEBI
Zyklopeptid
ChEBI
cyclic peptides
ChEBI
peptide cyclique
IUPAC
peptido ciclico
IUPAC
A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom.
cyclitols
chebi_ontology
CHEBI:23451
cyclitol
cyclitols
IUPAC
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.
cysteine derivative
chebi_ontology
CHEBI:23509
cysteine derivative
cysteine derivative
ChEBI
chebi_ontology
cytidine 5'-phosphates
CHEBI:23521
cytidine 5'-phosphate
cytidine 5'-phosphates
ChEBI
chebi_ontology
cytidine phosphates
CHEBI:23523
cytidine phosphate
cytidine phosphates
ChEBI
chebi_ontology
CHEBI:23524
cytidines
chebi_ontology
deoxyadenosine phosphates
CHEBI:23612
deoxyadenosine phosphate
deoxyadenosine phosphates
ChEBI
Beilstein:3629953
Gmelin:1774558
3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
deoxycholate
chebi_ontology
-1
391.285
391.56406
3alpha,12alpha-dihydroxy-5beta-cholanate
C24H39O4
Desoxycholat
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
KXGVEGMKQFWNSR-LLQZFEROSA-M
[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
CHEBI:23614
deoxycholate
Beilstein:3629953
Beilstein
Gmelin:1774558
Gmelin
3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
IUPAC
deoxycholate
UniProt
-1
ChEBI
391.285
ChEBI
391.56406
ChEBI
3alpha,12alpha-dihydroxy-5beta-cholanate
ChEBI
C24H39O4
ChEBI
Desoxycholat
ChEBI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
ChEBI
KXGVEGMKQFWNSR-LLQZFEROSA-M
ChEBI
[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
ChEBI
deoxygalactose
chebi_ontology
deoxygalactoses
CHEBI:23622
deoxygalactose
deoxygalactose
ChEBI
deoxygalactoses
ChEBI
Any C6 deoxy sugar having at least one hydroxy group replaced by hydrogen.
deoxyhexose
chebi_ontology
deoxyhexoses
CHEBI:23628
deoxyhexose
deoxyhexose
ChEBI
deoxyhexoses
ChEBI
chebi_ontology
deoxyaldopentose phosphates
deoxypentose phosphate
CHEBI:23634
deoxyaldopentose phosphate
deoxyaldopentose phosphates
ChEBI
deoxypentose phosphate
ChEBI
chebi_ontology
deoxyribonucleosides
CHEBI:23636
deoxyribonucleoside
deoxyribonucleosides
ChEBI
Any sugar having a hydroxy group replaced with a hydrogen atom.
chebi_ontology
deoxy sugars
deoxysugar
deoxysugars
CHEBI:23639
deoxy sugar
deoxy sugars
ChEBI
deoxysugar
ChEBI
deoxysugars