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