alaynecuzick
2018-07-09T13:43:00Z
Ontology of species-neutral phenotypes observed in pathogen-host interactions.
Pathogen Host Interactions Phenotype Ontology
https://creativecommons.org/licenses/by/3.0/
2023-11-30
definition
The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
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
textual definition
If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL
is a defining property chain axiom
If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R.
is a defining property chain axiom where second argument is reflexive
http://purl.org/dc/elements/1.1/creator
uberon
dc-creator
true
dc-creator
creator
http://purl.org/dc/elements/1.1/description
uberon
dc-description
true
dc-description
description
http://purl.org/dc/elements/1.1/title
uberon
dc-title
true
dc-title
title
http://purl.org/dc/terms/license
uberon
dcterms-license
true
dcterms-license
license
has_alternative_id
An alternative label for a class or property which has a more general meaning than the preferred name/primary label.
https://github.com/information-artifact-ontology/ontology-metadata/issues/18
has broad synonym
has_broad_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/18
database_cross_reference
An alternative label for a class or property which has the exact same meaning than the preferred name/primary label.
https://github.com/information-artifact-ontology/ontology-metadata/issues/20
has exact synonym
has_exact_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/20
An alternative label for a class or property which has a more specific meaning than the preferred name/primary label.
https://github.com/information-artifact-ontology/ontology-metadata/issues/19
has narrow synonym
has_narrow_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/19
has_obo_namespace
An alternative label for a class or property that has been used synonymously with the primary term name, but the usage is not strictly correct.
https://github.com/information-artifact-ontology/ontology-metadata/issues/21
has related synonym
has_related_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/21
in_subset
is part of
my brain is part of my body (continuant parthood, two material entities)
my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)
this day is part of this year (occurrent parthood)
a core relation that holds between a part and its whole
Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)
A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'.
part_of
BFO:0000050
external
quality
uberon
part_of
part_of
part of
part of
part_of
http://www.obofoundry.org/ro/#OBO_REL:part_of
https://wiki.geneontology.org/Part_of
has part
my body has part my brain (continuant parthood, two material entities)
my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)
this year has part this day (occurrent parthood)
a core relation that holds between a whole and its part
Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)
A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'.
has_part
BFO:0000051
external
quality
uberon
has_part
has_part
has part
has part
has_part
realized in
this disease is realized in this disease course
this fragility is realized in this shattering
this investigator role is realized in this investigation
is realized by
realized_in
[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
realized in
realizes
this disease course realizes this disease
this investigation realizes this investigator role
this shattering realizes this fragility
to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
realizes
preceded by
x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other.
is preceded by
preceded_by
http://www.obofoundry.org/ro/#OBO_REL:preceded_by
http://www.obofoundry.org/ro/#OBO_REL:preceded_by
BFO:0000062
external
uberon
preceded_by
preceded_by
preceded by
preceded by
precedes
x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
BFO:0000063
external
uberon
precedes
precedes
precedes
precedes
occurs in
b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
occurs_in
unfolds in
unfolds_in
BFO:0000066
external
occurs_in
occurs_in
Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant
occurs in
occurs in
https://wiki.geneontology.org/Occurs_in
site of
[copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
BFO:0000067
uberon
contains_process
contains_process
Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant
contains process
contains process
GOREL:0002004
external
results_in_fission_of
results_in_fission_of
results in fission of
results_in_fission_of
results_in
alaynecuzick
2018-10-12T13:24:02Z
Used in FYPO as described in PATO best practices; placeholder relation to indicate normality/abnormality. which namespace? do we need all 3 triplicated again?
qualifier
inheres in
this fragility inheres in this vase
this fragility is a characteristic of this vase
this red color inheres in this apple
this red color is a characteristic of this apple
a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence.
a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence
A dependent inheres in its bearer at all times for which the dependent exists.
inheres_in
Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing.
characteristic of
inheres in
bearer of
this apple is bearer of this red color
this vase is bearer of this fragility
Inverse of characteristic_of
a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence
A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist.
bearer_of
is bearer of
RO:0000053
external
bearer_of
bearer_of
bearer of
bearer of
has characteristic
participates in
this blood clot participates in this blood coagulation
this input material (or this output material) participates in this process
this investigator participates in this investigation
a relation between a continuant and a process, in which the continuant is somehow involved in the process
participates_in
RO:0000056
external
uberon
participates_in
participates_in
participates in
participates in
has participant
this blood coagulation has participant this blood clot
this investigation has participant this investigator
this process has participant this input material (or this output material)
a relation between a process and a continuant, in which the continuant is somehow involved in the process
Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time.
has_participant
http://www.obofoundry.org/ro/#OBO_REL:has_participant
http://www.obofoundry.org/ro/#OBO_REL:has_participant
RO:0000057
external
has_participant
has_participant
has participant
has participant
this catalysis function is a function of this enzyme
a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence
A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists.
function_of
is function of
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
function of
this red color is a quality of this apple
a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence
A quality inheres in its bearer at all times for which the quality exists.
is quality of
quality_of
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
quality of
this investigator role is a role of this person
a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence
A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists.
is role of
role_of
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
role of
this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)
a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence
A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists.
has_function
has function
this apple has quality this red color
a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence
A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist.
has_quality
RO:0000086
uberon
has_quality
has_quality
has quality
has quality
this person has role this investigator role (more colloquially: this person has this role of investigator)
a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence
A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists.
has_role
has role
a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence
has disposition
inverse of has disposition
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
disposition of
A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B.
dos
2017-05-24T09:30:46Z
RO:0002013
external
has_regulatory_component_activity
has_regulatory_component_activity
has regulatory component activity
A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B.
dos
2017-05-24T09:31:01Z
RO:0002014
external
has_negative_regulatory_component_activity
has_negative_regulatory_component_activity
By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'.
has negative regulatory component activity
A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B.
dos
2017-05-24T09:31:17Z
By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'.
has positive regulatory component activity
dos
2017-05-24T09:44:33Z
A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B.
has component activity
w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.
dos
2017-05-24T09:49:21Z
has component process
dos
2017-09-17T13:52:24Z
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
directly regulated by
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
GOC:dos
Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.
dos
2017-09-17T13:52:38Z
directly negatively regulated by
Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.
Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.
GOC:dos
Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1.
dos
2017-09-17T13:52:47Z
directly positively regulated by
Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1.
Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1.
GOC:dos
A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity.
dos
2017-09-22T14:14:36Z
This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations.
has effector activity
A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity.
A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity.
GOC:dos
David Osumi-Sutherland
X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)
ends after
David Osumi-Sutherland
starts_at_end_of
RO:0002087
external
uberon
immediately_preceded_by
immediately_preceded_by
X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
immediately preceded by
immediately preceded by
David Osumi-Sutherland
ends_at_start_of
meets
RO:0002090
external
immediately_precedes
immediately_precedes
X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)
immediately precedes
immediately precedes
RO:0002092
external
happens_during
happens_during
happens during
RO:0002093
external
ends_during
ends_during
ends during
x overlaps y if and only if there exists some z such that x has part z and z part of y
http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)
RO:0002131
external
uberon
overlaps
overlaps
overlaps
overlaps
true
lactation SubClassOf 'only in taxon' some 'Mammalia'
x only in taxon y if and only if x is in taxon y, and there is no other organism z such that y!=z a and x is in taxon z.
The original intent was to treat this as a macro that expands to 'in taxon' only ?Y - however, this is not necessary if we instead have supplemental axioms that state that each pair of sibling tax have a disjointness axiom using the 'in taxon' property - e.g.
'in taxon' some Eukaryota DisjointWith 'in taxon' some Eubacteria
RO:0002160
uberon
only_in_taxon
only_in_taxon
only in taxon
x is in taxon y if an only if y is an organism, and the relationship between x and y is one of: part of (reflexive), developmentally preceded by, derives from, secreted by, expressed.
RO:0002162
uberon
in_taxon
in_taxon
Connects a biological entity to its taxon of origin.
in taxon
w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.
The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity.
For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit.
RO:0002180
external
uberon
has_component
has_component
has component
has component
p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q.
GO
Regulation precludes parthood; the regulatory process may not be within the regulated process.
regulates (processual)
false
RO:0002211
external
regulates
regulates
regulates
regulates
p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q.
negatively regulates (process to process)
RO:0002212
external
negatively_regulates
negatively_regulates
negatively regulates
negatively regulates
p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q.
positively regulates (process to process)
RO:0002213
external
positively_regulates
positively_regulates
positively regulates
positively regulates
mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)
osteoclast SubClassOf 'capable of' some 'bone resorption'
A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process.
has function realized in
For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)".
RO:0002215
external
uberon
capable_of
capable_of
capable of
capable of
c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p.
has function in
RO:0002216
external
uberon
capable_of_part_of
capable_of_part_of
capable of part of
capable of part of
true
Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends.
https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1
A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations.
temporally related to
inverse of starts with
Chris Mungall
Allen
RO:0002223
uberon
starts
starts
starts
starts
Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor
x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
Chris Mungall
started by
RO:0002224
external
uberon
starts_with
starts_with
starts with
starts with
inverse of ends with
Chris Mungall
RO:0002229
uberon
ends
ends
ends
ends
x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
Chris Mungall
finished by
RO:0002230
external
uberon
ends_with
ends_with
ends with
ends with
x 'has starts location' y if and only if there exists some process z such that x 'starts with' z and z 'occurs in' y
starts with process that occurs in
RO:0002231
external
has_start_location
has_start_location
has start location
has start location
x 'has end location' y if and only if there exists some process z such that x 'ends with' z and z 'occurs in' y
ends with process that occurs in
RO:0002232
external
has_end_location
has_end_location
has end location
has end location
p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p.
consumes
RO:0002233
external
has_input
has_input
has input
has input
https://wiki.geneontology.org/Has_input
p has output c iff c is a participant in p, c is present at the end of p, and c is not present in the same state at the beginning of p.
produces
RO:0002234
external
has_output
has_output
has output
has output
A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision.
c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes.
acts upstream of
A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway.
c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process.
affects
acts upstream of or within
https://wiki.geneontology.org/Acts_upstream_of_or_within
p results in the developmental progression of s iff p is a developmental process and s is an anatomical entity and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss).
This property and its subproperties are being used primarily for the definition of GO developmental processes. The property hierarchy mirrors the core GO hierarchy. In future we may be able to make do with a more minimal set of properties, but due to the way GO is currently structured we require highly specific relations to avoid incorrect entailments. To avoid this, the corresponding genus terms in GO should be declared mutually disjoint.
RO:0002295
external
results_in_developmental_progression_of
results_in_developmental_progression_of
results in developmental progression of
results in developmental progression of
an annotation of gene X to anatomical structure formation with results_in_formation_of UBERON:0000007 (pituitary gland) means that at the beginning of the process a pituitary gland does not exist and at the end of the process a pituitary gland exists.
every "endocardial cushion formation" (GO:0003272) results_in_formation_of some "endocardial cushion" (UBERON:0002062)
Chris Mungall
GOC:mtg_berkeley_2013
RO:0002297
external
results_in_formation_of
results_in_formation_of
results in formation of
results in formation of
p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q.
RO:0002304
external
causally_upstream_of,_positive_effect
causally_upstream_of,_positive_effect
holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y
causally upstream of, positive effect
p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q.
RO:0002305
external
causally_upstream_of,_negative_effect
causally_upstream_of,_negative_effect
causally upstream of, negative effect
q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w.
Because part_of is transitive, inheres in is a sub-relation of characteristic of part of
inheres in part of
characteristic of part of
true
A relationship that holds via some environmental process
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving the process of evolution.
evolutionarily related to
A mereological relationship or a topological relationship
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships
mereotopologically related to
A relationship that holds between entities participating in some developmental process (GO:0032502)
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development
developmentally related to
a particular instances of akt-2 enables some instance of protein kinase activity
c enables p iff c is capable of p and c acts to execute p.
catalyzes
executes
has
is catalyzing
is executing
This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized.
enables
https://wiki.geneontology.org/Enables
A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities.
This is a grouping relation that collects relations used for the purpose of connecting structure and function
RO:0002328
uberon
functionally_related_to
functionally_related_to
functionally related to
functionally related to
this relation holds between c and p when c is part of some c', and c' is capable of p.
false
part of structure that is capable of
true
c involved_in p if and only if c enables some process p', and p' is part of p
actively involved in
enables part of
involved in
https://wiki.geneontology.org/Involved_in
inverse of enables
enabled by
https://wiki.geneontology.org/Enabled_by
inverse of regulates
regulated by (processual)
RO:0002334
external
regulated_by
regulated_by
regulated by
regulated by
inverse of negatively regulates
RO:0002335
external
negatively_regulated_by
negatively_regulated_by
negatively regulated by
negatively regulated by
inverse of positively regulates
RO:0002336
external
positively_regulated_by
positively_regulated_by
positively regulated by
positively regulated by
A relationship that holds via some process of localization
Do not use this relation directly. It is a grouping relation.
related via localization to
This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from some initial location l to some destination.
RO:0002338
external
has_target_start_location
has_target_start_location
has target start location
has target start location
This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from a an initial location to some destination l.
RO:0002339
external
has_target_end_location
has_target_end_location
has target end location
has target end location
'mitochondrial transport' results_in_transport_to_from_or_in some mitochondrion (GO:0005739)
RO:0002344
external
results_in_transport_to_from_or_in
results_in_transport_to_from_or_in
results in transport to from or in
results in transport to from or in
inverse of has input
RO:0002352
uberon
input_of
input_of
input of
input of
inverse of has output
RO:0002353
external
uberon
output_of
output_of
output of
output of
formed as result of
inverse of upstream of
RO:0002404
external
causally_downstream_of
causally_downstream_of
causally downstream of
causally downstream of
RO:0002405
external
immediately_causally_downstream_of
immediately_causally_downstream_of
immediately causally downstream of
immediately causally downstream of
p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q.
indirectly activates
indirectly positively regulates
https://wiki.geneontology.org/Indirectly_positively_regulates
p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q.
indirectly inhibits
indirectly negatively regulates
https://wiki.geneontology.org/Indirectly_negatively_regulates
relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause.
This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents.
To define causal relations in an activity-flow type network, we make use of 3 primitives:
* Temporal: how do the intervals of the two occurrents relate?
* Is the causal relation regulatory?
* Is the influence positive or negative?
The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified.
For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule.
For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral.
Each of these 3 primitives can be composed to yield a cross-product of different relation types.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causally related to
relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause.
https://en.wikipedia.org/wiki/Causality
p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q.
RO:0002411
external
causally_upstream_of
causally_upstream_of
causally upstream of
causally upstream of
p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q.
RO:0002412
external
immediately_causally_upstream_of
immediately_causally_upstream_of
immediately causally upstream of
immediately causally upstream of
p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q.
We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2
influences (processual)
RO:0002418
external
affects
causally_upstream_of_or_within
causally_upstream_of_or_within
causally upstream of or within
inverse of causally upstream of or within
RO:0002427
external
causally_downstream_of_or_within
causally_downstream_of_or_within
causally downstream of or within
c involved in regulation of p if c is involved in some p' and p' regulates some p
involved in regulation of
c involved in regulation of p if c is involved in some p' and p' positively regulates some p
involved in positive regulation of
c involved in regulation of p if c is involved in some p' and p' negatively regulates some p
involved in negative regulation of
c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p
OWL does not allow defining object properties via a Union
involved in or reguates
involved in or involved in regulation of
A protein that enables activity in a cytosol.
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
executes activity in
enables activity in
is active in
https://wiki.geneontology.org/Is_active_in
true
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
GOC:cjm
GOC:dos
A relationship that holds between two entities in which the processes executed by the two entities are causally connected.
This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact.
Considering relabeling as 'pairwise interacts with'
Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules.
in pairwise interaction with
interacts with
http://purl.obolibrary.org/obo/ro/docs/interaction-relations/
http://purl.obolibrary.org/obo/MI_0914
An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other.
binds
molecularly binds with
molecularly interacts with
http://purl.obolibrary.org/obo/MI_0915
Axiomatization to GO to be added later
An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y.
phosphorylates
The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B.
A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B.
molecularly controls
directly regulates activity of
The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B.
For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B.
directly inhibits
molecularly decreases activity of
directly negatively regulates activity of
The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B.
For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B.
directly activates
molecularly increases activity of
directly positively regulates activity of
This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning.
helper property (not for use in curation)
p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c.
has part that occurs in
true
is kinase activity
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, typically connecting an anatomical entity to a biological process or developmental stage.
relation between physical entity and a process or stage
x existence ends during or before y if and only if the time point at which x ends is before or equivalent to the time point at which y ends.
RO:0002497
uberon
existence_ends_during_or_before
existence_ends_during_or_before
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence ends during or before
A relationship between a material entity and a process where the material entity has some causal role that influences the process
causal agent in process
p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between processes
depends on
q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2
This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C.
towards
The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between entities
causally influenced by (entity-centric)
causally influenced by
interaction relation helper property
http://purl.obolibrary.org/obo/ro/docs/interaction-relations/
molecular interaction relation helper property
The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size).
causally influences (entity-centric)
causally influences
A relation that holds between an attribute or a qualifier and another attribute.
This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the "modifiers" are.
has modifier
p directly regulates q iff p is immediately causally upstream of q and p regulates q.
directly regulates (processual)
RO:0002578
external
directly_regulates
directly_regulates
directly regulates
gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'
s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p
has part structure that is capable of
p results in breakdown of c if and only if the execution of p leads to c no longer being present at the end of p
results in breakdown of
RO:0002588
external
results_in_assembly_of
results_in_assembly_of
results in assembly of
RO:0002590
external
results_in_disassembly_of
results_in_disassembly_of
results in disassembly of
p results in organization of c iff p results in the assembly, arrangement of constituent parts, or disassembly of c
RO:0002592
external
results_in_organization_of
results_in_organization_of
results in organization of
A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between material entity and a process
pyrethroid -> growth
Holds between c and p if and only if c is capable of some activity a, and a regulates p.
capable of regulating
Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p.
capable of negatively regulating
renin -> arteriolar smooth muscle contraction
Holds between c and p if and only if c is capable of some activity a, and a positively regulates p.
capable of positively regulating
Inverse of 'causal agent in process'
RO:0002608
external
process_has_causal_agent
process_has_causal_agent
process has causal agent
p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q.
directly positively regulates (process to process)
RO:0002629
external
directly_positively_regulates
directly_positively_regulates
directly positively regulates
https://wiki.geneontology.org/Directly_positively_regulates
p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q.
directly negatively regulates (process to process)
RO:0002630
external
directly_negatively_regulates
directly_negatively_regulates
directly negatively regulates
https://wiki.geneontology.org/Directly_negatively_regulates
a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix.
RO:0003000
external
uberon
produces
produces
Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue.
produces
produces
a produced_by b iff some process that occurs_in b has_output a.
RO:0003001
external
uberon
produced_by
produced_by
produced by
produced by
p 'has primary input ot output' c iff either (a) p 'has primary input' c or (b) p 'has primary output' c.
2018-12-13T11:26:17Z
RO:0004007
external
has_primary_input_or_output
has_primary_input_or_output
has primary input or output
p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c.
2018-12-13T11:26:32Z
RO:0004008
external
has_primary_output
has_primary_output
has primary output
p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c.
GOC:cjm
GOC:dph
GOC:kva
GOC:pt
PMID:27812932
p has primary input c if (a) p has input c and (b) the goal of process is to modify, consume, or transform c.
2018-12-13T11:26:56Z
RO:0004009
external
has_primary_input
has_primary_input
has primary input
p has primary input c if (a) p has input c and (b) the goal of process is to modify, consume, or transform c.
GOC:cjm
GOC:dph
GOC:kva
GOC:pt
PMID:27812932
Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P.
2018-01-25T23:20:13Z
enables subfunction
2018-01-26T23:49:30Z
acts upstream of or within, positive effect
https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect
2018-01-26T23:49:51Z
acts upstream of or within, negative effect
https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect
c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive
2018-01-26T23:53:14Z
acts upstream of, positive effect
https://wiki.geneontology.org/Acts_upstream_of,_positive_effect
c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative
2018-01-26T23:53:22Z
acts upstream of, negative effect
https://wiki.geneontology.org/Acts_upstream_of,_negative_effect
2018-03-13T23:55:05Z
causally upstream of or within, negative effect
https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect
2018-03-13T23:55:19Z
causally upstream of or within, positive effect
The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B.
regulates activity of
pg
2021-02-26T07:28:29Z
RO:0012008
external
results_in_fusion_of
results_in_fusion_of
results in fusion of
results in fusion of
p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q.
pg
2022-09-26T06:07:17Z
indirectly causally upstream of
p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q.
pg
2022-09-26T06:08:01Z
indirectly regulates
q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
different in magnitude relative to
q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
https://orcid.org/0000-0002-6601-2165
q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'.
increased in magnitude relative to
q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
https://orcid.org/0000-0002-6601-2165
q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'.
decreased in magnitude relative to
q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
https://orcid.org/0000-0002-6601-2165
has relative magnitude
q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e.
There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality.
reciprocal of
q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e.
https://orcid.org/0000-0002-6601-2165
A diagnostic testing device utilizes a specimen.
X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y.
A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input.
See github ticket https://github.com/oborel/obo-relations/issues/497
2021-11-08T12:00:00Z
2021-11-08T12:00:00Z
utilizes
device utilizes material
A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C.
RO:0019000
gene_ontology
regulates_characteristic
regulates_characteristic
regulates characteristic
A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C.
RO:0019001
gene_ontology
positively_regulates_characteristic
positively_regulates_characteristic
positively regulates characteristic
A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C.
RO:0019002
gene_ontology
negatively_regulates_characteristic
negatively_regulates_characteristic
negatively regulates characteristic
p has anatomical participant c iff p has participant c, and c is an anatomical entity
2018-09-26T01:08:58Z
RO:0040036
external
results_in_changes_to_anatomical_or_cellular_structure
results_in_changes_to_anatomical_or_cellular_structure
results in changes to anatomical or cellular structure
OBSOLETE. q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
RO:0015008
quality
decreased_in_magnitude_relative_to
Refer to https://github.com/pato-ontology/pato/issues/454 for obsoletion reason. This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'.
obsolete decreased_in_magnitude_relative_to
true
OBSOLETE. q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
RO:0015010
quality
has_relative_magnitude
Refer to https://github.com/pato-ontology/pato/issues/454.
obsolete has_relative_magnitude
true
OBSOLETE. q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
RO:0015007
quality
increased_in_magnitude_relative_to
Refer to https://github.com/pato-ontology/pato/issues/454. This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'.
obsolete increased_in_magnitude_relative_to
true
OBSOLETE. q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
RO:0002503
quality
towards
Consider using RO:0002503 instead. See https://github.com/pato-ontology/pato/issues/454
obsolete towards
true
Inverse of part_of.
sequence
has_part
Example: operon has_part gene.
has_part
Inverse of part_of.
http://precedings.nature.com/documents/3495/version/1
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
An entity that has temporal parts and that happens, unfolds or develops through time.
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]
A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
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]
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.
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
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]
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
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
A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances.
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]
quality
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
A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])
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 (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004]
(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]
A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
specifically dependent continuant
b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])
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 (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004]
(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]
A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts.
role
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.
A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time.
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
material
MaterialEntity
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.
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.
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]
A part of a multicellular organism that is either an immaterial entity or a material entity with granularity above the level of a protein complex. Or, a substance produced by a multicellular organism with granularity above the level of a protein complex.
anatomical entity
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.
0
C12H12N2O3
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
232.23530
232.08479
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12
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
VSDB:1880
Wikipedia:Nalidixic_Acid
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
NALIDIXIC ACID
Nalidixic acid
chebi_ontology
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
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
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
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
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
ChemIDplus
acide nalidixique
ChemIDplus
acido nalidixico
ChemIDplus
acidum nalidixicum
ChemIDplus
nalidixic acid
ChemIDplus
A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.
0
C15H20O6
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
LINOMUASTDIRTM-QGRHZQQGSA-N
296.319
296.12599
[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1
CAS:51481-10-8
Chemspider:36584
KEGG:C09747
KNApSAcK:C00003201
LIPID_MAPS_instance:LMPR0103180002
PMID:28780485
PMID:30284112
PMID:30714884
PMID:30760085
PMID:30802751
PMID:30806951
PMID:30841652
PMID:31394401
PMID:31817218
PMID:31867960
PMID:31960350
PMID:32218143
PMID:32260237
PMID:32560237
PMID:32745571
PMID:32805342
PMID:32851525
PMID:32880717
PMID:32930227
Wikipedia:Vomitoxin
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
chebi_ontology
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
4-Deoxynivalenol
4-Desoxynivalenol
DON
Dehydronivalenol
Desoxynivalenol
Vomitoxin
CHEBI:10022
deoxynivalenol
CAS:51481-10-8
ChemIDplus
CAS:51481-10-8
KEGG COMPOUND
LIPID_MAPS_instance:LMPR0103180002
LIPID MAPS
PMID:28780485
Europe PMC
PMID:30284112
Europe PMC
PMID:30714884
Europe PMC
PMID:30760085
Europe PMC
PMID:30802751
Europe PMC
PMID:30806951
Europe PMC
PMID:30841652
Europe PMC
PMID:31394401
Europe PMC
PMID:31817218
Europe PMC
PMID:31867960
Europe PMC
PMID:31960350
Europe PMC
PMID:32218143
Europe PMC
PMID:32260237
Europe PMC
PMID:32560237
Europe PMC
PMID:32745571
Europe PMC
PMID:32805342
Europe PMC
PMID:32851525
Europe PMC
PMID:32880717
Europe PMC
PMID:32930227
Europe PMC
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
IUPAC
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
ChemIDplus
4-Deoxynivalenol
ChemIDplus
4-Desoxynivalenol
ChemIDplus
DON
KEGG_COMPOUND
Dehydronivalenol
ChemIDplus
Desoxynivalenol
ChemIDplus
Vomitoxin
KEGG_COMPOUND
A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.
0
C16H14F3N5O
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
BCEHBSKCWLPMDN-MGPLVRAMSA-N
349.31050
349.11504
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
CHEBI:127308
Beilstein:7694998
CAS:137234-62-9
DrugBank:DB00582
Drug_Central:2846
KEGG:C07622
KEGG:D00578
LINCS:LSM-5244
PMID:12940129
PMID:22718362
PMID:23392902
PMID:23527908
PMID:23766489
PMID:24102553
Patent:EP440372
Patent:US5278175
Wikipedia:Voriconazole
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
voriconazole
chebi_ontology
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
VCZ
Vfend
voriconazol
voriconazole
voriconazolum
CHEBI:10023
voriconazole
Beilstein:7694998
Beilstein
CAS:137234-62-9
ChemIDplus
CAS:137234-62-9
DrugBank
CAS:137234-62-9
KEGG COMPOUND
CAS:137234-62-9
KEGG DRUG
Drug_Central:2846
DrugCentral
PMID:12940129
Europe PMC
PMID:22718362
Europe PMC
PMID:23392902
Europe PMC
PMID:23527908
Europe PMC
PMID:23766489
Europe PMC
PMID:24102553
Europe PMC
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
IUPAC
voriconazole
UniProt
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
ChEBI
(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
ChemIDplus
VCZ
DrugBank
Vfend
ChEBI
voriconazol
WHO_MedNet
voriconazole
ChemIDplus
voriconazole
WHO_MedNet
voriconazolum
WHO_MedNet
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.
0
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
331.34150
331.13322
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
CHEBI:102718
CHEBI:3717
CHEBI:41638
Beilstein:3568352
CAS:85721-33-1
DrugBank:DB00537
Drug_Central:659
HMDB:HMDB0014677
KEGG:C05349
KEGG:D00186
LINCS:LSM-5226
PDBeChem:CPF
PMID:10397494
PMID:10737746
Patent:DE3142854
Patent:US4670444
Reaxys:3568352
VSDB:1763
Wikipedia:Ciprofloxacin
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Ciprofloxacin
ciprofloxacin
chebi_ontology
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
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
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
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.
0
C16H18FN3O3
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)
OGJPXUAPXNRGGI-UHFFFAOYSA-N
319.33080
319.13322
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
CHEBI:7629
Beilstein:567897
CAS:70458-96-7
DrugBank:DB01059
Drug_Central:1967
Gmelin:1576626
HMDB:HMDB0015192
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
VSDB:1831
Wikipedia:Norfloxacin
1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
chebi_ontology
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
NFLX
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
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
NFLX
KEGG_DRUG
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.
0
C11H13N3O3S
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
NHUHCSRWZMLRLA-UHFFFAOYSA-N
267.30400
267.06776
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
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
4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
chebi_ontology
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
N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide
N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide
N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide
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
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
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
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.
-1
0.000548579903
0.0
KEGG:C05359
PMID:21614077
Wikipedia:Electron
electron
chebi_ontology
Elektron
beta
beta(-)
beta-particle
e
e(-)
e-
negatron
CHEBI:10545
electron
PMID:21614077
Europe PMC
electron
ChEBI
electron
IUPAC
electron
KEGG_COMPOUND
Elektron
ChEBI
beta
IUPAC
beta(-)
ChEBI
beta-particle
IUPAC
e
IUPAC
e(-)
UniProt
e-
KEGG_COMPOUND
negatron
IUPAC
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
CDAISMWEOUEBRE-CDRYSYESSA-N
180.15588
180.06339
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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
1,3,5/2,4,6-cyclohexanehexol
Cocositol
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
1,3,5/2,4,6-cyclohexanehexol
IUPAC
Cocositol
NIST_Chemistry_WebBook
Quercinitol
ChemIDplus
Scyllitol
ChemIDplus
An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin.
PMID:26717596
chebi_ontology
CHEBI:130181
calmodulin antagonist
PMID:26717596
Europe PMC
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 carboxylic acid anion resulting from the deprotonation of the carboxy group of a dicarboxylic acid monoester.
chebi_ontology
CHEBI:131605
dicarboxylic acid monoester(1-)
An echinocandin initially isolated as a very minor bioactive fermentation product of Glarea lozoyensis (originally known as Zalerion arboricola). Subsequent random mutagenesis work and optimisation of the fermentation medium permitted the industrial production of pneumocandin B0, which is used as the starting point for the synthesis of the antifungal drug caspofungin.
0
C50H80N8O17
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25-,26+,27+,30+,31-,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1
DQXPFAADCTZLNL-FXDJFZINSA-N
1065.216
1064.56414
[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](O)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CC(N)=O)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H]
CAS:135575-42-7
PMID:24086376
PMID:24270605
PMID:25527531
Reaxys:9316734
Wikipedia:Pneumocandin_Bo
(10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
chebi_ontology
L 688,786
L-688,786
L-688786
pneumocandin B(0)
pneumocardin B(0)
CHEBI:131609
pneumocandin B0
CAS:135575-42-7
ChemIDplus
PMID:24086376
Europe PMC
PMID:24270605
Europe PMC
PMID:25527531
Europe PMC
Reaxys:9316734
Reaxys
(10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
IUPAC
L 688,786
ChemIDplus
L-688,786
ChemIDplus
L-688786
ChemIDplus
pneumocandin B(0)
ChemIDplus
pneumocardin B(0)
ChemIDplus
Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents.
-1
CHO3R
61.017
60.99257
O*C([O-])=O
chebi_ontology
a hydroxy polyunsaturated fatty acid
hydroxy PUFA
hydroxy polyunsaturated fatty acid anions
CHEBI:131871
hydroxy polyunsaturated fatty acid anion
a hydroxy polyunsaturated fatty acid
UniProt
hydroxy PUFA
SUBMITTER
hydroxy polyunsaturated fatty acid 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
Any aromatic amide obtained by acylation of aniline.
0
C7H6NOR
120.12860
120.04494
[*]C(=O)Nc1ccccc1
KEGG:C01402
PMID:23535982
PMID:23968552
PMID:24273122
PMID:6205897
chebi_ontology
N-phenyl amide
N-phenyl amides
an anilide
CHEBI:13248
anilide
PMID:23535982
Europe PMC
PMID:23968552
Europe PMC
PMID:24273122
Europe PMC
PMID:6205897
Europe PMC
N-phenyl amide
ChEBI
N-phenyl amides
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
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of oxytetracycline; major species at pH 7.3.
0
C22H24N2O9
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
IWVCMVBTMGNXQD-PXOLEDIWSA-N
460.435
460.14818
[C@@]12([C@](C(=C3C(C=4C(=CC=CC4[C@@]([C@]3([C@@H]1O)[H])(C)O)O)=O)O)(C(C(C(N)=O)=C([C@H]2[NH+](C)C)[O-])=O)O)[H]
MetaCyc:CPD-19255
(1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
chebi_ontology
oxytetracycline
CHEBI:133011
oxytetracycline zwitterion
(1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
IUPAC
oxytetracycline
UniProt
Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives.
chebi_ontology
chromenochromenes
CHEBI:133135
chromenochromene
chromenochromenes
ChEBI
An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).
-1
C22H22ClN2O8
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p-1/t7-,8-,15-,21-,22-/m0/s1
CYDMQBQPVICBEU-XRNKAMNCSA-M
477.872
477.10702
C1=CC(=C2C(=C1Cl)[C@@]([C@@]3(C(C2=O)=C([C@]4([C@@](C3)([C@@H](C(=C(C4=O)C(N)=O)[O-])[NH+](C)C)[H])O)O)[H])(C)O)[O-]
MetaCyc:CPD-19258
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
chebi_ontology
7-chlorotetracycline
CHEBI:133598
chlortetracycline(1-)
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
IUPAC
7-chlorotetracycline
UniProt
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.
0
C12H12N4O3
InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
CULUWZNBISUWAS-UHFFFAOYSA-N
260.249
260.09094
C1=C(C=CC=C1)CNC(CN2C(=NC=C2)[N+]([O-])=O)=O
Beilstein:551486
CAS:22994-85-0
Drug_Central:322
KEGG:D02489
PMID:26760092
PMID:26760093
PMID:26760094
PMID:26760095
PMID:26974551
PMID:26982179
PMID:27001816
PMID:27067322
PMID:27158908
PMID:27161638
PMID:27223650
PMID:27246447
PMID:27376278
PMID:27487264
PMID:27488437
PMID:27550362
PMID:27619190
PMID:27688600
Reaxys:551486
Wikipedia:Benznidazole
N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide
chebi_ontology
2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide
N-Benzyl-2-nitroimidazol-1-yl-acetamide
N-Benzyl-2-nitroimidazole-1-acetamide
benznidazol
benznidazole
benznidazolum
CHEBI:133833
benznidazole
Beilstein:551486
ChemIDplus
CAS:22994-85-0
ChemIDplus
CAS:22994-85-0
KEGG DRUG
Drug_Central:322
DrugCentral
PMID:26760092
Europe PMC
PMID:26760093
Europe PMC
PMID:26760094
Europe PMC
PMID:26760095
Europe PMC
PMID:26974551
Europe PMC
PMID:26982179
Europe PMC
PMID:27001816
Europe PMC
PMID:27067322
Europe PMC
PMID:27158908
Europe PMC
PMID:27161638
Europe PMC
PMID:27223650
Europe PMC
PMID:27246447
Europe PMC
PMID:27376278
Europe PMC
PMID:27487264
Europe PMC
PMID:27488437
Europe PMC
PMID:27550362
Europe PMC
PMID:27619190
Europe PMC
PMID:27688600
Europe PMC
Reaxys:551486
Reaxys
N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide
IUPAC
2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide
ChemIDplus
N-Benzyl-2-nitroimidazol-1-yl-acetamide
ChemIDplus
N-Benzyl-2-nitroimidazole-1-acetamide
ChemIDplus
benznidazol
ChemIDplus
benznidazole
ChemIDplus
benznidazole
KEGG_DRUG
benznidazolum
ChemIDplus
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
chebi_ontology
VOC
VOCs
volatile organic compounds
CHEBI:134179
volatile organic compound
VOC
ChEBI
VOCs
ChEBI
volatile organic compounds
ChEBI
0
C15H24N4O6S2
InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
AVAACINZEOAHHE-VFZPANTDSA-N
420.507
420.11373
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)CNS(N)(=O)=O)=C(N2C1=O)C(O)=O
CAS:148016-81-3
Drug_Central:4149
HMDB:HMDB0041883
chebi_ontology
doribax
doripenem hydrate
CHEBI:135928
doripenem
CAS:148016-81-3
DrugCentral
Drug_Central:4149
DrugCentral
doribax
DrugCentral
doripenem hydrate
DrugCentral
A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.
glycols
chebi_ontology
Glykol
CHEBI:13643
glycol
glycols
IUPAC
Glykol
ChEBI
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.
0
CHNO2R2
59.024
59.00073
C(*)(=[N+](O)[O-])*
chebi_ontology
aci-nitro compounds
oxime N-oxide
oxime N-oxides
CHEBI:136622
aci-nitro compound
aci-nitro compounds
ChEBI
oxime N-oxide
ChEBI
oxime N-oxides
ChEBI
Any inhibitor of S100 calcium-binding protein B.
Wikipedia:S100B
chebi_ontology
S100 calcium-binding protein B inhibitors
S100B inhibitor
S100B inhibitors
CHEBI:136651
S100 calcium-binding protein B inhibitor
S100 calcium-binding protein B inhibitors
ChEBI
S100B inhibitor
ChEBI
S100B inhibitors
ChEBI
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
An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3.
+1
H2NR2
16.023
16.01872
*[NH+](*)[H]
MetaCyc:Secondary-Amines
chebi_ontology
a secondary amine
secondary amine(1+)
CHEBI:137419
secondary ammonium ion
a secondary amine
UniProt
secondary amine(1+)
ChEBI
An aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3.
-1
C7H6NO3
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)/p-1
WUBBRNOQWQTFEX-UHFFFAOYSA-M
152.128
152.03532
C1=C(N)C=C(O)C(C([O-])=O)=C1
MetaCyc:CPD-8817
PMID:23118010
Reaxys:3906055
chebi_ontology
4-aminosalicylate
CHEBI:137598
4-aminosalicylate(1-)
PMID:23118010
SUBMITTER
Reaxys:3906055
Reaxys
4-aminosalicylate
UniProt
An organic cation obtained by protonation of the amino group of any tertiary amino compound.
+1
HNR3
15.015
15.01090
[NH+](*)(*)*
chebi_ontology
a tertiary amine
tertiary amine(1+)
tertiary ammonium ions
CHEBI:137982
tertiary ammonium ion
a tertiary amine
UniProt
tertiary amine(1+)
ChEBI
tertiary ammonium ions
ChEBI
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
A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water.
Wikipedia:Mineral_acid
chebi_ontology
inorganic acids
mineral acid
mineral acids
CHEBI:138103
inorganic acid
inorganic acids
ChEBI
mineral acid
ChEBI
mineral acids
ChEBI
Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa).
Wikipedia:https://en.wikipedia.org/wiki/Gas
chebi_ontology
gas molecular entities
gaseous molecular entities
gaseous molecular entity
CHEBI:138675
gas molecular entity
gas molecular entities
ChEBI
gaseous molecular entities
ChEBI
gaseous molecular entity
ChEBI
A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry.
0
C13H11NO5
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
KYGZCKSPAKDVKC-UHFFFAOYSA-N
261.23010
261.06372
CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12
CHEBI:44731
CHEBI:7848
Beilstein:620635
CAS:14698-29-4
Drug_Central:2024
Gmelin:2609419
KEGG:C11342
KEGG:D02301
LINCS:LSM-5811
PDBeChem:OXI
PMID:1245092
PMID:1650428
PMID:19596082
PMID:20151406
PMID:22670590
PMID:23353085
PMID:23773949
PMID:23816421
PMID:26678217
PMID:26920300
PMID:29438107
PMID:4616804
Patent:US3287458
Reaxys:620635
VSDB:1879
Wikipedia:Oxolinic_acid
5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
chebi_ontology
1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid
1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid
5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid
OA
acide oxolinique
acido oxolinico
acidum oxolinicum
oxolinic acid
CHEBI:138856
oxolinic acid
Beilstein:620635
Beilstein
CAS:14698-29-4
ChemIDplus
CAS:14698-29-4
KEGG COMPOUND
Drug_Central:2024
DrugCentral
Gmelin:2609419
Gmelin
PMID:1245092
Europe PMC
PMID:1650428
Europe PMC
PMID:19596082
Europe PMC
PMID:20151406
Europe PMC
PMID:22670590
Europe PMC
PMID:23353085
Europe PMC
PMID:23773949
Europe PMC
PMID:23816421
Europe PMC
PMID:26678217
Europe PMC
PMID:26920300
Europe PMC
PMID:29438107
Europe PMC
PMID:4616804
Europe PMC
Reaxys:620635
Reaxys
5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
IUPAC
1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid
ChemIDplus
1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid
ChemIDplus
5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid
ChemIDplus
OA
KEGG_DRUG
acide oxolinique
ChemIDplus
acido oxolinico
WHO_MedNet
acidum oxolinicum
ChemIDplus
oxolinic acid
KEGG_DRUG
oxolinic acid
WHO_MedNet
-1
CH2NO2
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
KXDHJXZQYSOELW-UHFFFAOYSA-M
60.03212
60.00910
NC([O-])=O
Beilstein:3903503
CAS:302-11-4
Gmelin:239604
carbamate
chebi_ontology
Carbamat
Karbamat
carbamate ion
carbamic acid, ion(1-)
CHEBI:13941
carbamate
Beilstein:3903503
Beilstein
CAS:302-11-4
ChemIDplus
Gmelin:239604
Gmelin
carbamate
IUPAC
carbamate
UniProt
Carbamat
ChEBI
Karbamat
ChEBI
carbamate ion
ChemIDplus
carbamic acid, ion(1-)
ChemIDplus
A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound.
chebi_ontology
sensitisers
sensitizer
sensitizers
CHEBI:139492
sensitiser
sensitisers
ChEBI
sensitizer
ChEBI
sensitizers
ChEBI
An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9.
Wikipedia:Enoyl-acyl_carrier_protein_reductase
chebi_ontology
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors
EC 1.3.1.9 inhibitor
EC 1.3.1.9 inhibitors
ENR inhibitor
ENR inhibitors
NADH-enoyl acyl carrier protein reductase inhibitor
NADH-enoyl acyl carrier protein reductase inhibitors
NADH-specific enoyl-ACP reductase inhibitor
NADH-specific enoyl-ACP reductase inhibitors
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors
enoyl-ACP reductase inhibitor
enoyl-ACP reductase inhibitors
enoyl-[acyl carrier protein] reductase inhibitor
enoyl-[acyl carrier protein] reductase inhibitors
CHEBI:139512
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors
ChEBI
EC 1.3.1.9 inhibitor
ChEBI
EC 1.3.1.9 inhibitors
ChEBI
ENR inhibitor
ChEBI
ENR inhibitors
ChEBI
NADH-enoyl acyl carrier protein reductase inhibitor
ChEBI
NADH-enoyl acyl carrier protein reductase inhibitors
ChEBI
NADH-specific enoyl-ACP reductase inhibitor
ChEBI
NADH-specific enoyl-ACP reductase inhibitors
ChEBI
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor
ChEBI
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors
ChEBI
enoyl-ACP reductase inhibitor
ChEBI
enoyl-ACP reductase inhibitors
ChEBI
enoyl-[acyl carrier protein] reductase inhibitor
ChEBI
enoyl-[acyl carrier protein] reductase inhibitors
ChEBI
An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.
PMID:15326516
PMID:19908854
PMID:20382022
PMID:23295224
chebi_ontology
alpha-hydroxy ketones
alpha-hydroxy-ketone
alpha-hydroxy-ketones
alpha-hydroxyketone
alpha-hydroxyketones
CHEBI:139588
alpha-hydroxy ketone
PMID:15326516
Europe PMC
PMID:19908854
Europe PMC
PMID:20382022
Europe PMC
PMID:23295224
Europe PMC
alpha-hydroxy ketones
ChEBI
alpha-hydroxy-ketone
ChEBI
alpha-hydroxy-ketones
ChEBI
alpha-hydroxyketone
ChEBI
alpha-hydroxyketones
ChEBI
An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.
0
C2HO2R3
57.028
56.99765
C(C(=O)*)(O)(*)*
chebi_ontology
tertiary alpha-hydroxy ketones
tertiary alpha-hydroxy-ketone
tertiary alpha-hydroxy-ketones
tertiary alpha-hydroxyketone
tertiary alpha-hydroxyketones
CHEBI:139592
tertiary alpha-hydroxy ketone
tertiary alpha-hydroxy ketones
ChEBI
tertiary alpha-hydroxy-ketone
ChEBI
tertiary alpha-hydroxy-ketones
ChEBI
tertiary alpha-hydroxyketone
ChEBI
tertiary alpha-hydroxyketones
ChEBI
Any antimicrobial agent whose activity is dependent on the presence of calcium ions.
PMID:18489906
PMID:22711659
PMID:29108098
PMID:29434326
chebi_ontology
Ca(2+)-dependent antibiotic
Ca(2+)-dependent antibiotics
Ca-dependent antibiotic
Ca-dependent antibiotics
calcium-dependent antibiotic
CHEBI:140190
calcium-dependent antibiotics
PMID:18489906
Europe PMC
PMID:22711659
Europe PMC
PMID:29108098
Europe PMC
PMID:29434326
Europe PMC
Ca(2+)-dependent antibiotic
ChEBI
Ca(2+)-dependent antibiotics
ChEBI
Ca-dependent antibiotic
ChEBI
Ca-dependent antibiotics
ChEBI
calcium-dependent antibiotic
ChEBI
A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
0
CHNOR2
43.025
43.00581
N(C(*)=O)(*)[H]
chebi_ontology
secondary carboxamides
CHEBI:140325
secondary carboxamide
secondary carboxamides
ChEBI
A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2).
0
CNOR3
42.017
41.99799
N(C(*)=O)(*)*
chebi_ontology
tertiary carboxamides
CHEBI:140326
tertiary carboxamide
tertiary carboxamides
ChEBI
Any polyunsaturated fatty acid carrying one or more hydroxy substituents.
chebi_ontology
CHEBI:140345
hydroxy polyunsaturated fatty acid
Any pathway inhibitor that inhibits the Hedgehog signalling pathway.
Wikipedia:Hedgehog_pathway_inhibitors
chebi_ontology
Hedgehog pathway inhibitor
Hedgehog pathway inhibitors
Hedgehog signaling pathway inhibitors
CHEBI:140921
Hedgehog signaling pathway inhibitor
Hedgehog pathway inhibitor
ChEBI
Hedgehog pathway inhibitors
ChEBI
Hedgehog signaling pathway inhibitors
ChEBI
An inhibitor of any of the glioma-associated oncogene (GLI) proteins.
chebi_ontology
GLI inhibitor
GLI inhibitors
glioma-associated oncogene inhibitors
CHEBI:140922
glioma-associated oncogene inhibitor
GLI inhibitor
ChEBI
GLI inhibitors
ChEBI
glioma-associated oncogene inhibitors
ChEBI
A mitochondrial cytochrome-bc1 complex inhibitor that acts at the Quinone 'outer' (Qo) binding site of the cytochrome-bc1 complex.
Wikipedia:QoI
chebi_ontology
QOI
QOIs
Qo inhibitor
Qo inhibitors
quinone outside inhibitors
CHEBI:141153
quinone outside inhibitor
QOI
ChEBI
QOIs
ChEBI
Qo inhibitor
ChEBI
Qo inhibitors
ChEBI
quinone outside inhibitors
ChEBI
An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers.
0
CNOR5
42.017
41.99799
N(C(O*)(*)*)(*)*
chebi_ontology
alpha-amino ether
alpha-amino ethers
hemiaminal ethers
CHEBI:141498
hemiaminal ether
alpha-amino ether
ChEBI
alpha-amino ethers
ChEBI
hemiaminal ethers
ChEBI
A organic ion resulting from the deprotonation of the hydroxy group of any oxime.
-1
CNO
42.017
41.99799
C(*)(=N[O-])*
oxime anion
chebi_ontology
oximate
oximates
oxime anions
CHEBI:142513
oxime anion
oxime anion
ChEBI
oximate
ChEBI
oximates
ChEBI
oxime anions
ChEBI
An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3.
+1
C29H40N5O8
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+1/t12-,14-,21-,29-/m0/s1
FPZLLRFZJZRHSY-HJYUBDRYSA-O
586.658
586.28714
C1(C(=C([C@H]([C@@]2(C[C@@]3(CC4=C(C=C(C(=C4C(C3=C([C@]12O)O)=O)O)NC(C[NH2+]C(C)(C)C)=O)N(C)C)[H])[H])[NH+](C)C)[O-])C(=O)N)=O
MetaCyc:CPD-19260
PMID:16128584
(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
chebi_ontology
tigecycline
CHEBI:142708
tigecycline(1+)
MetaCyc:CPD-19260
WebElements
PMID:16128584
SUBMITTER
(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
IUPAC
tigecycline
UniProt
0
C21H17N2O7R5
409.370
409.10358
C12=C(C=C(C(=C1C(C=3[C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3O)=O)C(N)=O)[NH+](C)C)[H])*)(C2(*)*)[H])=O)O)*)*
chebi_ontology
a tetracycline
CHEBI:144644
a tetracycline zwitterion
a tetracycline
UniProt
Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature.
chebi_ontology
macropolylides
CHEBI:145555
macropolylide
macropolylides
ChEBI
A macropolylide which contains two ester linkages in one macrocyclic ring.
PMID:17446696
PMID:29624065
PMID:29671776
PMID:31247219
chebi_ontology
macrodiolides
CHEBI:145556
macrodiolide
PMID:17446696
Europe PMC
PMID:29624065
Europe PMC
PMID:29671776
Europe PMC
PMID:31247219
Europe PMC
macrodiolides
ChEBI
A macrolide in which the macrocyclic lactone ring includes an amide group.
PMID:11678663
PMID:12227772
PMID:15248618
PMID:17378533
PMID:31226284
chebi_ontology
macrolide lactams
CHEBI:145565
macrolide lactam
PMID:11678663
Europe PMC
PMID:12227772
Europe PMC
PMID:15248618
Europe PMC
PMID:17378533
Europe PMC
PMID:31226284
Europe PMC
macrolide lactams
ChEBI
A monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3.
-1
C26H43O9
InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
MINDHVHHQZYEEK-HBBNESRFSA-M
499.622
499.29126
[C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O
9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate
chebi_ontology
CHEBI:145790
mupirocin(1-)
9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate
IUPAC
A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups.
+1
C14H25N2O7
InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+1/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
UNFWWIHTNXNPBV-WXKVUWSESA-O
333.360
333.16563
[C@@H]12[C@H](O[C@@]3(O[C@H](C)CC([C@@]3(O1)O)=O)[H])[C@H]([C@H]([NH2+]C)[C@@H]([C@@H]2NC)O)O
chebi_ontology
spectinomycin
CHEBI:146260
spectinomycin(1+)
spectinomycin
UniProt
Any organic heterotricyclic compound whose core skeleton consists of a benzodioxin ring that is ortho-fused to a pyran ring.
chebi_ontology
pyranobenzodioxins
CHEBI:146295
pyranobenzodioxin
pyranobenzodioxins
ChEBI
Any agent that induces nausea and vomiting.
chebi_ontology
emetics
CHEBI:149552
emetic
emetics
ChEBI
Any antiviral agent which inhibits the activity of coronaviruses.
Wikipedia:Coronavirus
anticoronaviral agent
chebi_ontology
anti-coronaviral agent
anti-coronaviral agents
anti-coronavirus agent
anti-coronavirus agents
anticoronaviral agents
anticoronaviral drug
anticoronaviral drugs
anticoronavirus agent
anticoronavirus agents
anticoronviral agent
anticoronviral agents
CHEBI:149553
anticoronaviral agent
anticoronaviral agent
ChEBI
anti-coronaviral agent
ChEBI
anti-coronaviral agents
ChEBI
anti-coronavirus agent
ChEBI
anti-coronavirus agents
ChEBI
anticoronaviral agents
ChEBI
anticoronaviral drug
ChEBI
anticoronaviral drugs
ChEBI
anticoronavirus agent
ChEBI
anticoronavirus agents
ChEBI
anticoronviral agent
ChEBI
anticoronviral agents
ChEBI
Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.
0
C29H39N5O8
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
FPZLLRFZJZRHSY-HJYUBDRYSA-N
585.64870
585.27986
[H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
CHEBI:29696
CHEBI:473970
CAS:220620-09-7
DrugBank:DB00560
Drug_Central:2661
KEGG:C12012
KEGG:D01079
PMID:17194827
PMID:17210772
PMID:17220399
PMID:17307973
PMID:17353238
PMID:17353249
Reaxys:8379453
(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
chebi_ontology
(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
CHEBI:149836
tigecycline
CAS:220620-09-7
ChemIDplus
CAS:220620-09-7
KEGG COMPOUND
Drug_Central:2661
DrugCentral
PMID:17194827
ChEMBL
PMID:17210772
ChEMBL
PMID:17220399
ChEMBL
PMID:17307973
ChEMBL
PMID:17353238
ChEMBL
PMID:17353249
ChEMBL
Reaxys:8379453
Reaxys
(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC
(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
ChemIDplus
A molecular entity that can transfer an electron to another molecular entity.
electron donor
chebi_ontology
Elektronendonator
donneur d'electron
CHEBI:15022
electron donor
electron donor
IUPAC
Elektronendonator
ChEBI
donneur d'electron
IUPAC
A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide.
-2
S
InChI=1S/S/q-2
UCKMPCXJQFINFW-UHFFFAOYSA-N
32.06600
31.97317
[S--]
CAS:18496-25-8
UM-BBD_compID:c0569
sulfanediide
sulfide(2-)
chebi_ontology
S(2-)
Sulfide
sulphide
CHEBI:15138
sulfide(2-)
CAS:18496-25-8
ChemIDplus
UM-BBD_compID:c0569
UM-BBD
sulfanediide
IUPAC
sulfide(2-)
IUPAC
S(2-)
IUPAC
Sulfide
ChemIDplus
sulphide
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
chebi_ontology
A
Akzeptor
Hydrogen-acceptor
Oxidized donor
accepteur
CHEBI:15339
acceptor
Acceptor
KEGG_COMPOUND
A
KEGG_COMPOUND
Akzeptor
ChEBI
Hydrogen-acceptor
KEGG_COMPOUND
Oxidized donor
KEGG_COMPOUND
accepteur
ChEBI
A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
+1
C5H14NO
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
OEYIOHPDSNJKLS-UHFFFAOYSA-N
104.17080
104.10699
C[N+](C)(C)CCO
CHEBI:13985
CHEBI:23212
CHEBI:3665
CHEBI:41524
Beilstein:1736748
CAS:62-49-7
DrugBank:DB00122
Drug_Central:3097
ECMDB:ECMDB00097
Gmelin:324597
HMDB:HMDB0000097
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
Bilineurine
CHOLINE ION
N,N,N-trimethylethanol-ammonium
N-trimethylethanolamine
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
Bilineurine
KEGG_COMPOUND
CHOLINE ION
PDBeChem
N,N,N-trimethylethanol-ammonium
ChEBI
N-trimethylethanolamine
ChEBI
trimethylethanolamine
ChEBI
A simple monocarboxylic acid containing two carbons.
0
C2H4O2
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
QTBSBXVTEAMEQO-UHFFFAOYSA-N
60.05200
60.02113
CC(O)=O
CHEBI:22169
CHEBI:2387
CHEBI:40486
Beilstein:506007
CAS:64-19-7
Drug_Central:4211
Gmelin:1380
HMDB:HMDB0000042
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
PPDB:1333
Reaxys:506007
Wikipedia:Acetic_acid
ACETIC ACID
Acetic acid
acetic acid
chebi_ontology
AcOH
CH3-COOH
CH3CO2H
E 260
E-260
E260
Essigsaeure
Ethanoic acid
Ethylic acid
HOAc
INS No. 260
MeCO2H
MeCOOH
Methanecarboxylic acid
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
AcOH
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
MeCO2H
ChEBI
MeCOOH
ChEBI
Methanecarboxylic acid
ChemIDplus
acide acetique
ChemIDplus
ethoic acid
ChEBI
A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides.
CHEBI:13723
CHEBI:22220
CHEBI:2445
CAS:1402-38-6
KEGG:C01775
Actinomycin
chebi_ontology
actinomycins
CHEBI:15369
actinomycin
CAS:1402-38-6
ChemIDplus
CAS:1402-38-6
KEGG COMPOUND
Actinomycin
KEGG_COMPOUND
actinomycins
ChEBI
Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.
0
C2H4O2(CH2O)n
CHEBI:13755
CHEBI:22305
CHEBI:2561
KEGG:C01370
Wikipedia:Aldose
Aldose
chebi_ontology
aldoses
an aldose
CHEBI:15693
aldose
Aldose
KEGG_COMPOUND
aldoses
ChEBI
an aldose
UniProt
Any alpha-amino acid having L-configuration at the alpha-carbon.
0
C2H4NO2R
74.05870
74.02420
N[C@@H]([*])C(O)=O
CHEBI:13072
CHEBI:13243
CHEBI:13797
CHEBI:21224
CHEBI:6175
KEGG:C00151
L-alpha-amino acid
L-alpha-amino acids
chebi_ontology
L-2-Amino acid
L-Amino acid
L-alpha-amino acids
CHEBI:15705
L-alpha-amino acid
L-alpha-amino acid
IUPAC
L-alpha-amino acids
IUPAC
L-2-Amino acid
KEGG_COMPOUND
L-Amino acid
KEGG_COMPOUND
L-alpha-amino acids
ChEBI
A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.
0
CH3OR
31.034
31.01839
*C(O)([H])[H]
CHEBI:13676
CHEBI:14887
CHEBI:26262
CHEBI:57489
CHEBI:8406
KEGG:C00226
Primary alcohol
chebi_ontology
1-Alcohol
a primary alcohol
primary alcohols
CHEBI:15734
primary alcohol
Primary alcohol
KEGG_COMPOUND
1-Alcohol
KEGG_COMPOUND
a primary alcohol
UniProt
primary alcohols
ChEBI
A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.
-1
CHO2
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
BDAGIHXWWSANSR-UHFFFAOYSA-M
45.01744
44.99820
[H]C([O-])=O
CHEBI:14276
CHEBI:24081
Beilstein:1901205
CAS:71-47-6
Gmelin:1006
HMDB:HMDB0000142
KEGG:C00058
MetaCyc:FORMATE
PMID:17190852
PMID:3946945
Reaxys:1901205
UM-BBD_compID:c0106
Wikipedia:Formate
formate
chebi_ontology
HCO2 anion
aminate
formiate
formic acid, ion(1-)
formylate
hydrogen carboxylate
methanoate
CHEBI:15740
formate
Beilstein:1901205
Beilstein
CAS:71-47-6
ChemIDplus
CAS:71-47-6
NIST Chemistry WebBook
Gmelin:1006
Gmelin
PMID:17190852
Europe PMC
PMID:3946945
Europe PMC
Reaxys:1901205
Reaxys
UM-BBD_compID:c0106
UM-BBD
formate
IUPAC
formate
UniProt
HCO2 anion
NIST_Chemistry_WebBook
aminate
ChEBI
formiate
ChEBI
formic acid, ion(1-)
ChemIDplus
formylate
ChEBI
hydrogen carboxylate
ChEBI
methanoate
ChEBI
A peptide containing ten or more amino acid residues.
C4H6N2O3R2(C2H2NOR)n
CHEBI:14860
CHEBI:8314
KEGG:C00403
Polypeptide
polypeptides
chebi_ontology
Polypeptid
polipeptido
CHEBI:15841
polypeptide
Polypeptide
KEGG_COMPOUND
polypeptides
IUPAC
Polypeptid
ChEBI
polipeptido
ChEBI
A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.
0
C6H5NO2
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
PVNIIMVLHYAWGP-UHFFFAOYSA-N
123.10944
123.03203
OC(=O)c1cccnc1
CHEBI:25538
CHEBI:44319
CHEBI:7559
AGR:IND607088605
Beilstein:109591
CAS:59-67-6
Chemspider:913
DrugBank:DB00627
Drug_Central:2835
FooDB:FDB001014
Gmelin:3340
HMDB:HMDB0001488
KEGG:C00253
KEGG:D00049
KNApSAcK:C00000208
LINCS:LSM-4676
MetaCyc:NIACINE
PDBeChem:NIO
PMID:10540864
PMID:113218
PMID:12563315
PMID:12789870
PMID:135660
PMID:14550884
PMID:15037193
PMID:15183629
PMID:15205990
PMID:15311728
PMID:15627518
PMID:15651982
PMID:16018787
PMID:16172771
PMID:16322787
PMID:16400392
PMID:16449845
PMID:16767301
PMID:16877271
PMID:16945375
PMID:18037924
PMID:182198
PMID:186078
PMID:18993152
PMID:18996527
PMID:19369827
PMID:19592242
PMID:19678716
PMID:19779335
PMID:20979384
PMID:21632263
PMID:22116693
PMID:22155410
PMID:22229411
PMID:22366213
PMID:22458880
PMID:22770225
PMID:24029555
PMID:24568240
PMID:24675661
PMID:24848081
PMID:24975217
PMID:25040591
PMID:25241762
PMID:25429652
PMID:32954525
PMID:33273654
PMID:33932650
PMID:34066686
PMID:34085526
PMID:34117670
PMID:4033386
PMID:4259917
PMID:582105
PMID:699281
PMID:7217784
PMID:7581845
PMID:8306147
PMID:8423912
PMID:8679452
PMID:9107536
Reaxys:109591
Wikipedia:Niacin
NICOTINIC ACID
Nicotinic acid
nicotinic acid
pyridine-3-carboxylic acid
chebi_ontology
3-Pyridylcarboxylic acid
3-carboxylpyridine
3-carboxypyridine
3-pyridinecarboxylic acid
Niacin
Niacor
Niaspan
Nicotinsaure
Nikotinsaeure
P.P. factor
PP factor
acide nicotinique
acido nicotinico
acidum nicotinicum
anti-pellagra vitamin
beta-pyridinecarboxylic acid
m-pyridinecarboxylic acid
nicotinic acid
pellagra preventive factor
pyridine-beta-carboxylic acid
pyridine-carboxylique-3
vitamin B3
CHEBI:15940
nicotinic acid
AGR:IND607088605
Europe PMC
Beilstein:109591
Beilstein
CAS:59-67-6
ChemIDplus
CAS:59-67-6
KEGG COMPOUND
CAS:59-67-6
NIST Chemistry WebBook
Drug_Central:2835
DrugCentral
Gmelin:3340
Gmelin
PMID:10540864
Europe PMC
PMID:113218
Europe PMC
PMID:12563315
Europe PMC
PMID:12789870
Europe PMC
PMID:135660
Europe PMC
PMID:14550884
Europe PMC
PMID:15037193
Europe PMC
PMID:15183629
Europe PMC
PMID:15205990
Europe PMC
PMID:15311728
Europe PMC
PMID:15627518
Europe PMC
PMID:15651982
Europe PMC
PMID:16018787
Europe PMC
PMID:16172771
Europe PMC
PMID:16322787
Europe PMC
PMID:16400392
Europe PMC
PMID:16449845
Europe PMC
PMID:16767301
Europe PMC
PMID:16877271
Europe PMC
PMID:16945375
Europe PMC
PMID:18037924
Europe PMC
PMID:182198
Europe PMC
PMID:186078
Europe PMC
PMID:18993152
Europe PMC
PMID:18996527
Europe PMC
PMID:19369827
Europe PMC
PMID:19592242
Europe PMC
PMID:19678716
Europe PMC
PMID:19779335
Europe PMC
PMID:20979384
Europe PMC
PMID:21632263
Europe PMC
PMID:22116693
Europe PMC
PMID:22155410
Europe PMC
PMID:22229411
Europe PMC
PMID:22366213
Europe PMC
PMID:22458880
Europe PMC
PMID:22770225
Europe PMC
PMID:24029555
Europe PMC
PMID:24568240
Europe PMC
PMID:24675661
Europe PMC
PMID:24848081
Europe PMC
PMID:24975217
Europe PMC
PMID:25040591
Europe PMC
PMID:25241762
Europe PMC
PMID:25429652
Europe PMC
PMID:32954525
Europe PMC
PMID:33273654
Europe PMC
PMID:33932650
Europe PMC
PMID:34066686
Europe PMC
PMID:34085526
Europe PMC
PMID:34117670
Europe PMC
PMID:4033386
Europe PMC
PMID:4259917
Europe PMC
PMID:582105
Europe PMC
PMID:699281
Europe PMC
PMID:7217784
Europe PMC
PMID:7581845
Europe PMC
PMID:8306147
Europe PMC
PMID:8423912
Europe PMC
PMID:8679452
Europe PMC
PMID:9107536
Europe PMC
Reaxys:109591
Reaxys
NICOTINIC ACID
PDBeChem
Nicotinic acid
KEGG_COMPOUND
nicotinic acid
IUPAC
pyridine-3-carboxylic acid
IUPAC
3-Pyridylcarboxylic acid
HMDB
3-carboxylpyridine
ChemIDplus
3-carboxypyridine
NIST_Chemistry_WebBook
3-pyridinecarboxylic acid
KEGG_COMPOUND
Niacin
KEGG_COMPOUND
Niacor
KEGG_DRUG
Niaspan
KEGG_DRUG
Nicotinsaure
ChemIDplus
Nikotinsaeure
ChEBI
P.P. factor
NIST_Chemistry_WebBook
PP factor
NIST_Chemistry_WebBook
acide nicotinique
WHO_MedNet
acido nicotinico
WHO_MedNet
acidum nicotinicum
WHO_MedNet
anti-pellagra vitamin
NIST_Chemistry_WebBook
beta-pyridinecarboxylic acid
ChEBI
m-pyridinecarboxylic acid
NIST_Chemistry_WebBook
nicotinic acid
WHO_MedNet
pellagra preventive factor
NIST_Chemistry_WebBook
pyridine-beta-carboxylic acid
NIST_Chemistry_WebBook
pyridine-carboxylique-3
ChemIDplus
vitamin B3
ChEBI
A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues.
0
(C5H8O6PR)n.C10H17O10PR2
CHEBI:13672
CHEBI:14859
CHEBI:8312
KEGG:C00419
Polynucleotide
chebi_ontology
polynucleotides
CHEBI:15986
polynucleotide
Polynucleotide
KEGG_COMPOUND
polynucleotides
ChEBI
An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4.
0
C4H5N3O
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
OPTASPLRGRRNAP-UHFFFAOYSA-N
111.10212
111.04326
Nc1cc[nH]c(=O)n1
CHEBI:14066
CHEBI:23531
CHEBI:4072
CHEBI:41732
Beilstein:2637
CAS:71-30-7
Gmelin:82472
HMDB:HMDB0000630
KEGG:C00380
KNApSAcK:C00001498
MetaCyc:CYTOSINE
PDBeChem:CYT
PMID:14253484
PMID:22770225
PMID:7877593
Reaxys:2637
Wikipedia:Cytosine
4-aminopyrimidin-2(1H)-one
Cytosine
cytosine
chebi_ontology
4-amino-2(1H)-pyrimidinone
4-amino-2-hydroxypyrimidine
C
Cyt
Cytosin
Zytosin
CHEBI:16040
cytosine
PMID:22770225
Europe PMC
PMID:7877593
Europe PMC
Reaxys:2637
Reaxys
4-aminopyrimidin-2(1H)-one
IUPAC
Cytosine
KEGG_COMPOUND
cytosine
UniProt
4-amino-2(1H)-pyrimidinone
NIST_Chemistry_WebBook
4-amino-2-hydroxypyrimidine
NIST_Chemistry_WebBook
C
ChEBI
Cyt
CBN
Cytosin
ChEBI
Zytosin
ChEBI
Beilstein:2637
Beilstein
CAS:71-30-7
ChemIDplus
CAS:71-30-7
KEGG COMPOUND
CAS:71-30-7
NIST Chemistry WebBook
Gmelin:82472
Gmelin
PMID:14253484
Europe PMC
A monoatomic monoanion resulting from the addition of an electron to any halogen atom.
-1
X
0.0
0.0
[*-]
CHEBI:14384
CHEBI:5605
KEGG:C00462
halide ions
chebi_ontology
HX
Halide
a halide anion
halide anions
halide(1-)
halides
halogen anion
CHEBI:16042
halide anion
halide ions
IUPAC
HX
KEGG_COMPOUND
Halide
KEGG_COMPOUND
a halide anion
UniProt
halide anions
ChEBI
halide(1-)
ChEBI
halides
ChEBI
halogen anion
ChEBI
An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
0
H3N
InChI=1S/H3N/h1H3
QGZKDVFQNNGYKY-UHFFFAOYSA-N
17.03056
17.02655
[H]N([H])[H]
CHEBI:13405
CHEBI:13406
CHEBI:13407
CHEBI:13771
CHEBI:22533
CHEBI:44269
CHEBI:44284
CHEBI:44404
CHEBI:7434
Beilstein:3587154
CAS:7664-41-7
Drug_Central:4625
Gmelin:79
HMDB:HMDB0000051
KEGG:C00014
KEGG:D02916
KNApSAcK:C00007267
MetaCyc:AMMONIA
MolBase:930
PDBeChem:NH3
PMID:110589
PMID:11139349
PMID:11540049
PMID:11746427
PMID:11783653
PMID:13753780
PMID:14663195
PMID:15092448
PMID:15094021
PMID:15554424
PMID:15969015
PMID:16008360
PMID:16050680
PMID:16348008
PMID:16349403
PMID:16614889
PMID:16664306
PMID:16842901
PMID:17025297
PMID:17439666
PMID:17569513
PMID:17737668
PMID:18670398
PMID:22002069
PMID:22081570
PMID:22088435
PMID:22100291
PMID:22130175
PMID:22150211
PMID:22240068
PMID:22290316
PMID:22342082
PMID:22385337
PMID:22443779
PMID:22560242
Reaxys:3587154
Wikipedia:Ammonia
AMMONIA
Ammonia
ammonia
azane
chebi_ontology
Ammoniak
NH3
R-717
[NH3]
ammoniac
amoniaco
spirit of hartshorn
CHEBI:16134
ammonia
Beilstein:3587154
Beilstein
CAS:7664-41-7
ChemIDplus
CAS:7664-41-7
KEGG COMPOUND
CAS:7664-41-7
NIST Chemistry WebBook
Drug_Central:4625
DrugCentral
Gmelin:79
Gmelin
PMID:110589
Europe PMC
PMID:11139349
Europe PMC
PMID:11540049
Europe PMC
PMID:11746427
Europe PMC
PMID:11783653
Europe PMC
PMID:13753780
Europe PMC
PMID:14663195
Europe PMC
PMID:15092448
Europe PMC
PMID:15094021
Europe PMC
PMID:15554424
Europe PMC
PMID:15969015
Europe PMC
PMID:16008360
Europe PMC
PMID:16050680
Europe PMC
PMID:16348008
Europe PMC
PMID:16349403
Europe PMC
PMID:16614889
Europe PMC
PMID:16664306
Europe PMC
PMID:16842901
Europe PMC
PMID:17025297
Europe PMC
PMID:17439666
Europe PMC
PMID:17569513
Europe PMC
PMID:17737668
Europe PMC
PMID:18670398
Europe PMC
PMID:22002069
Europe PMC
PMID:22081570
Europe PMC
PMID:22088435
Europe PMC
PMID:22100291
Europe PMC
PMID:22130175
Europe PMC
PMID:22150211
Europe PMC
PMID:22240068
Europe PMC
PMID:22290316
Europe PMC
PMID:22342082
Europe PMC
PMID:22385337
Europe PMC
PMID:22443779
Europe PMC
PMID:22560242
Europe PMC
Reaxys:3587154
Reaxys
AMMONIA
PDBeChem
Ammonia
KEGG_COMPOUND
ammonia
IUPAC
azane
IUPAC
Ammoniak
ChemIDplus
NH3
IUPAC
NH3
KEGG_COMPOUND
NH3
UniProt
R-717
ChEBI
[NH3]
MolBase
ammoniac
ChEBI
amoniaco
ChEBI
spirit of hartshorn
ChemIDplus
A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.
0
H2S
InChI=1S/H2S/h1H2
RWSOTUBLDIXVET-UHFFFAOYSA-N
34.08188
33.98772
[H]S[H]
CHEBI:13356
CHEBI:14414
CHEBI:24639
CHEBI:43058
CHEBI:45489
CHEBI:5787
Beilstein:3535004
CAS:7783-06-4
Drug_Central:4260
Gmelin:303
KEGG:C00283
KNApSAcK:C00007266
MolBase:1709
PDBeChem:H2S
PMID:11788560
PMID:14654297
PMID:15003943
PMID:15607739
PMID:16446402
PMID:18098324
PMID:18524810
PMID:18948540
PMID:19695225
PMID:22004989
PMID:22378060
PMID:22448627
PMID:22473176
PMID:22486842
PMID:22520971
PMID:22787557
UM-BBD_compID:c0239
Wikipedia:Hydrogen_sulfide
Hydrogen sulfide
dihydridosulfur
dihydrogen(sulfide)
hydrogen sulfide
sulfane
chebi_ontology
H2S
HYDROSULFURIC ACID
Hydrogen-sulfide
Schwefelwasserstoff
Sulfide
[SH2]
acide sulfhydrique
dihydrogen monosulfide
dihydrogen sulfide
hydrogen monosulfide
hydrogen sulphide
hydrogene sulfure
sulfure d'hydrogene
CHEBI:16136
hydrogen sulfide
Beilstein:3535004
Beilstein
CAS:7783-06-4
ChemIDplus
CAS:7783-06-4
KEGG COMPOUND
CAS:7783-06-4
NIST Chemistry WebBook
Drug_Central:4260
DrugCentral
Gmelin:303
Gmelin
PMID:11788560
Europe PMC
PMID:14654297
Europe PMC
PMID:15003943
Europe PMC
PMID:15607739
Europe PMC
PMID:16446402
Europe PMC
PMID:18098324
Europe PMC
PMID:18524810
Europe PMC
PMID:18948540
Europe PMC
PMID:19695225
Europe PMC
PMID:22004989
Europe PMC
PMID:22378060
Europe PMC
PMID:22448627
Europe PMC
PMID:22473176
Europe PMC
PMID:22486842
Europe PMC
PMID:22520971
Europe PMC
PMID:22787557
Europe PMC
UM-BBD_compID:c0239
UM-BBD
Hydrogen sulfide
KEGG_COMPOUND
dihydridosulfur
IUPAC
dihydrogen(sulfide)
IUPAC
hydrogen sulfide
IUPAC
sulfane
IUPAC
H2S
IUPAC
H2S
KEGG_COMPOUND
HYDROSULFURIC ACID
PDBeChem
Hydrogen-sulfide
KEGG_COMPOUND
Schwefelwasserstoff
ChemIDplus
Sulfide
KEGG_COMPOUND
[SH2]
MolBase
acide sulfhydrique
ChemIDplus
dihydrogen monosulfide
NIST_Chemistry_WebBook
dihydrogen sulfide
NIST_Chemistry_WebBook
hydrogen monosulfide
NIST_Chemistry_WebBook
hydrogen sulphide
ChemIDplus
hydrogene sulfure
ChemIDplus
sulfure d'hydrogene
ChEBI
The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.
-1
C7H5O2
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
WPYMKLBDIGXBTP-UHFFFAOYSA-M
121.11340
121.02950
[O-]C(=O)c1ccccc1
CHEBI:13879
CHEBI:22717
Beilstein:1862486
CAS:766-76-7
Gmelin:2945
HMDB:HMDB0001870
KEGG:C00180
MetaCyc:BENZOATE
Reaxys:1862486
UM-BBD_compID:c0121
benzoate
chebi_ontology
Benzenecarboxylate
Benzeneformate
Benzenemethanoate
Phenylcarboxylate
Phenylformate
benzoate anion
benzoic acid, ion(1-)
CHEBI:16150
benzoate
Beilstein:1862486
Beilstein
CAS:766-76-7
ChemIDplus
CAS:766-76-7
NIST Chemistry WebBook
Gmelin:2945
Gmelin
Reaxys:1862486
Reaxys
UM-BBD_compID:c0121
UM-BBD
benzoate
IUPAC
benzoate
UniProt
Benzenecarboxylate
HMDB
Benzeneformate
HMDB
Benzenemethanoate
HMDB
Phenylcarboxylate
HMDB
Phenylformate
HMDB
benzoate anion
NIST_Chemistry_WebBook
benzoic acid, ion(1-)
ChemIDplus
A synthetic monocyclic beta-lactam antibiotic (monobactam), used primarily to treat infections caused by Gram-negative bacteria. It inhibits mucopeptide synthesis in the bacterial cell wall, thereby blocking peptidoglycan crosslinking.
0
C13H17N5O8S2
InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
WZPBZJONDBGPKJ-VEHQQRBSSA-N
435.43300
435.05185
C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc([NH3+])n2)C(=O)N1S([O-])(=O)=O
CHEBI:2960
CHEBI:41008
Beilstein:3577211
CAS:78110-38-0
DrugBank:DB00355
Drug_Central:279
KEGG:C06840
KEGG:D00240
PDBeChem:AZR
PMID:1384868
PMID:15123864
PMID:24119095
PMID:24176390
PMID:24369293
PMID:25049240
PMID:25091537
PMID:25295210
PMID:28543395
PMID:29017833
Patent:NL8100571
Reaxys:3577211
Wikipedia:Aztreonam
(2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate
chebi_ontology
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid
AZT
Azactam
Primbactam
aztreonam
aztreonamum
CHEBI:161680
aztreonam
Beilstein:3577211
Beilstein
CAS:78110-38-0
ChemIDplus
Drug_Central:279
DrugCentral
PMID:1384868
Europe PMC
PMID:15123864
Europe PMC
PMID:24119095
Europe PMC
PMID:24176390
Europe PMC
PMID:24369293
Europe PMC
PMID:25049240
Europe PMC
PMID:25091537
Europe PMC
PMID:25295210
Europe PMC
PMID:28543395
Europe PMC
PMID:29017833
Europe PMC
Reaxys:3577211
Reaxys
(2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate
IUPAC
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid
ChemIDplus
AZT
ChEBI
Azactam
DrugBank
Primbactam
DrugBank
aztreonam
ChEBI
aztreonamum
ChemIDplus
A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.
-2
O4S
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
QAOWNCQODCNURD-UHFFFAOYSA-L
96.06360
95.95283
[O-]S([O-])(=O)=O
CHEBI:15135
CHEBI:45687
CHEBI:9335
Beilstein:3648446
CAS:14808-79-8
Gmelin:2120
HMDB:HMDB0001448
KEGG:C00059
KEGG:D05963
MetaCyc:SULFATE
PDBeChem:SO4
PMID:11200094
PMID:11452993
PMID:11581495
PMID:11798107
PMID:12166931
PMID:12668033
PMID:14597181
PMID:15093386
PMID:15984785
PMID:16186560
PMID:16345535
PMID:16347366
PMID:16348007
PMID:16483812
PMID:16534979
PMID:16656509
PMID:16742508
PMID:16742518
PMID:17120760
PMID:17420092
PMID:17439666
PMID:17709180
PMID:18398178
PMID:18815700
PMID:18846414
PMID:19047345
PMID:19244483
PMID:19544990
PMID:19628332
PMID:19812358
PMID:30398859
Reaxys:3648446
Wikipedia:Sulfate
Sulfate
sulfate
tetraoxidosulfate(2-)
tetraoxosulfate(2-)
tetraoxosulfate(VI)
chebi_ontology
SO4(2-)
SULFATE ION
Sulfate anion(2-)
Sulfate dianion
Sulfate(2-)
Sulfuric acid ion(2-)
[SO4](2-)
sulphate
sulphate ion
CHEBI:16189
sulfate
Beilstein:3648446
Beilstein
CAS:14808-79-8
ChemIDplus
CAS:14808-79-8
NIST Chemistry WebBook
Gmelin:2120
Gmelin
PMID:11200094
Europe PMC
PMID:11452993
Europe PMC
PMID:11581495
Europe PMC
PMID:11798107
Europe PMC
PMID:12166931
Europe PMC
PMID:12668033
Europe PMC
PMID:14597181
Europe PMC
PMID:15093386
Europe PMC
PMID:15984785
Europe PMC
PMID:16186560
Europe PMC
PMID:16345535
Europe PMC
PMID:16347366
Europe PMC
PMID:16348007
Europe PMC
PMID:16483812
Europe PMC
PMID:16534979
Europe PMC
PMID:16656509
Europe PMC
PMID:16742508
Europe PMC
PMID:16742518
Europe PMC
PMID:17120760
Europe PMC
PMID:17420092
Europe PMC
PMID:17439666
Europe PMC
PMID:17709180
Europe PMC
PMID:18398178
Europe PMC
PMID:18815700
Europe PMC
PMID:18846414
Europe PMC
PMID:19047345
Europe PMC
PMID:19244483
Europe PMC
PMID:19544990
Europe PMC
PMID:19628332
Europe PMC
PMID:19812358
Europe PMC
PMID:30398859
Europe PMC
Reaxys:3648446
Reaxys
Sulfate
KEGG_COMPOUND
sulfate
IUPAC
sulfate
UniProt
tetraoxidosulfate(2-)
IUPAC
tetraoxosulfate(2-)
IUPAC
tetraoxosulfate(VI)
IUPAC
SO4(2-)
IUPAC
SULFATE ION
PDBeChem
Sulfate anion(2-)
HMDB
Sulfate dianion
HMDB
Sulfate(2-)
HMDB
Sulfuric acid ion(2-)
HMDB
[SO4](2-)
IUPAC
sulphate
ChEBI
sulphate ion
ChEBI
A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O).
0
CH4N2O
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
XSQUKJJJFZCRTK-UHFFFAOYSA-N
60.05534
60.03236
NC(N)=O
CHEBI:15292
CHEBI:27218
CHEBI:46379
CHEBI:9888
Beilstein:635724
CAS:57-13-6
DrugBank:DB03904
Drug_Central:4264
ECMDB:ECMDB04172
Gmelin:1378
HMDB:HMDB0000294
KEGG:C00086
KEGG:D00023
KNApSAcK:C00007314
MetaCyc:UREA
PDBeChem:URE
PMID:18037357
PMID:22770225
PPDB:1728
Reaxys:635724
UM-BBD_compID:c0165
Wikipedia:Urea
YMDB:YMDB00003
UREA
Urea
urea
chebi_ontology
1728
Carbamide
E927b
H2NC(O)NH2
Harnstoff
Karbamid
carbamide
carbonyldiamide
ur
uree
CHEBI:16199
urea
Beilstein:635724
Beilstein
CAS:57-13-6
ChemIDplus
CAS:57-13-6
KEGG COMPOUND
CAS:57-13-6
NIST Chemistry WebBook
Drug_Central:4264
DrugCentral
Gmelin:1378
Gmelin
PMID:18037357
Europe PMC
PMID:22770225
Europe PMC
Reaxys:635724
Reaxys
UM-BBD_compID:c0165
UM-BBD
UREA
PDBeChem
Urea
KEGG_COMPOUND
urea
IUPAC
urea
UniProt
1728
PPDB
Carbamide
KEGG_COMPOUND
E927b
ChEBI
H2NC(O)NH2
ChEBI
Harnstoff
NIST_Chemistry_WebBook
Karbamid
ChEBI
carbamide
ChEBI
carbonyldiamide
NIST_Chemistry_WebBook
ur
IUPAC
uree
ChEBI
A divalent inorganic anion obtained by removal of both protons from phosphonic acid
-2
HO3P
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
ABLZXFCXXLZCGV-UHFFFAOYSA-L
79.97990
79.96743
[H]P([O-])([O-])=O
CHEBI:14820
CHEBI:39856
CHEBI:8154
Gmelin:1618
KEGG:C06701
MetaCyc:PHOSPHONATE
PDBeChem:2PO
hydridotrioxidophosphate(2-)
hydridotrioxophosphate(2-)
chebi_ontology
PHO3(2-)
PHOSPHONATE
Phosphonate
[PHO3](2-)
phosphonate
CHEBI:16215
phosphonate(2-)
Gmelin:1618
Gmelin
hydridotrioxidophosphate(2-)
IUPAC
hydridotrioxophosphate(2-)
IUPAC
PHO3(2-)
IUPAC
PHOSPHONATE
PDBeChem
Phosphonate
KEGG_COMPOUND
[PHO3](2-)
IUPAC
phosphonate
IUPAC
phosphonate
UniProt
An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond.
0
H2O2
InChI=1S/H2O2/c1-2/h1-2H
MHAJPDPJQMAIIY-UHFFFAOYSA-N
34.01468
34.00548
[H]OO[H]
CHEBI:13354
CHEBI:13355
CHEBI:24637
CHEBI:44812
CHEBI:5586
Beilstein:3587191
CAS:7722-84-1
Drug_Central:3281
Gmelin:509
HMDB:HMDB0003125
KEGG:C00027
KEGG:D00008
MetaCyc:HYDROGEN-PEROXIDE
MolBase:932
PDBeChem:PEO
PMID:10455187
PMID:10557015
PMID:10849784
PMID:11033421
PMID:11105916
PMID:11318558
PMID:11387393
PMID:11809417
PMID:11864786
PMID:11893576
PMID:12867293
PMID:12934880
PMID:14679422
PMID:15028418
PMID:15133946
PMID:15298493
PMID:16337875
PMID:16463018
PMID:16864869
PMID:17020896
PMID:17179007
PMID:17610934
PMID:17948137
PMID:18179203
PMID:18182702
PMID:18306736
PMID:18443210
PMID:18592736
PMID:19107210
PMID:19229032
PMID:19297450
PMID:19509065
PMID:26352695
PMID:26365231
PMID:7548021
PMID:7581816
PMID:8048546
PMID:8375042
PMID:8451754
PMID:9051670
PMID:9100841
PMID:9168257
PMID:9202721
PMID:9558114
PPDB:387
Reaxys:3587191
Wikipedia:Hydrogen_peroxide
HYDROGEN PEROXIDE
Hydrogen peroxide
bis(hydridooxygen)(O--O)
dihydrogen peroxide
dihydrogen(peroxide)
dioxidane
hydrogen peroxide
chebi_ontology
H2O2
HOOH
Oxydol
[OH(OH)]
dihydrogen dioxide
perhydrol
CHEBI:16240
hydrogen peroxide
Beilstein:3587191
Beilstein
CAS:7722-84-1
ChemIDplus
CAS:7722-84-1
KEGG COMPOUND
CAS:7722-84-1
NIST Chemistry WebBook
Drug_Central:3281
DrugCentral
Gmelin:509
Gmelin
PMID:10455187
Europe PMC
PMID:10557015
Europe PMC
PMID:10849784
Europe PMC
PMID:11033421
Europe PMC
PMID:11105916
Europe PMC
PMID:11318558
Europe PMC
PMID:11387393
Europe PMC
PMID:11809417
Europe PMC
PMID:11864786
Europe PMC
PMID:11893576
Europe PMC
PMID:12867293
Europe PMC
PMID:12934880
Europe PMC
PMID:14679422
Europe PMC
PMID:15028418
Europe PMC
PMID:15133946
Europe PMC
PMID:15298493
Europe PMC
PMID:16337875
Europe PMC
PMID:16463018
Europe PMC
PMID:16864869
Europe PMC
PMID:17020896
Europe PMC
PMID:17179007
Europe PMC
PMID:17610934
Europe PMC
PMID:17948137
Europe PMC
PMID:18179203
Europe PMC
PMID:18182702
Europe PMC
PMID:18306736
Europe PMC
PMID:18443210
Europe PMC
PMID:18592736
Europe PMC
PMID:19107210
Europe PMC
PMID:19229032
Europe PMC
PMID:19297450
Europe PMC
PMID:19509065
Europe PMC
PMID:26352695
Europe PMC
PMID:26365231
Europe PMC
PMID:7548021
Europe PMC
PMID:7581816
Europe PMC
PMID:8048546
Europe PMC
PMID:8375042
Europe PMC
PMID:8451754
Europe PMC
PMID:9051670
Europe PMC
PMID:9100841
Europe PMC
PMID:9168257
Europe PMC
PMID:9202721
Europe PMC
PMID:9558114
Europe PMC
Reaxys:3587191
Reaxys
HYDROGEN PEROXIDE
PDBeChem
Hydrogen peroxide
KEGG_COMPOUND
bis(hydridooxygen)(O--O)
IUPAC
dihydrogen peroxide
IUPAC
dihydrogen(peroxide)
IUPAC
dioxidane
IUPAC
hydrogen peroxide
IUPAC
H2O2
KEGG_COMPOUND
H2O2
UniProt
HOOH
IUPAC
Oxydol
KEGG_COMPOUND
[OH(OH)]
MolBase
dihydrogen dioxide
IUPAC
perhydrol
MetaCyc
A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides.
CHEBI:14816
CHEBI:26063
CHEBI:8150
KEGG:C00865
Phospholipid
chebi_ontology
a phospholipid derivative
phospholipids
CHEBI:16247
phospholipid
Phospholipid
KEGG_COMPOUND
a phospholipid derivative
UniProt
phospholipids
ChEBI
The D-enantiomer of proline.
0
C5H9NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
ONIBWKKTOPOVIA-SCSAIBSYSA-N
115.13050
115.06333
OC(=O)[C@H]1CCCN1
CHEBI:13008
CHEBI:21070
CHEBI:42012
CHEBI:42129
CHEBI:42213
CHEBI:4226
CHEBI:45156
Beilstein:80811
CAS:344-25-2
DrugBank:DB02853
Gmelin:833984
HMDB:HMDB0003411
KEGG:C00763
MetaCyc:D-PROLINE
PDBeChem:DPR
PMID:19023642
PMID:20023020
PMID:20959625
PMID:21374575
PMID:21563681
PMID:22475019
PMID:22479580
Reaxys:80811
Wikipedia:D-proline
D-PROLINE
D-Proline
D-proline
chebi_ontology
(2R)-pyrrolidine-2-carboxylic acid
(R)-2-Carboxypyrrolidine
(R)-pyrrolidine-2-carboxylic acid
D-Prolin
DPR
CHEBI:16313
D-proline
Beilstein:80811
Beilstein
CAS:344-25-2
ChemIDplus
CAS:344-25-2
KEGG COMPOUND
Gmelin:833984
Gmelin
PMID:19023642
Europe PMC
PMID:20023020
Europe PMC
PMID:20959625
Europe PMC
PMID:21374575
Europe PMC
PMID:21563681
Europe PMC
PMID:22475019
Europe PMC
PMID:22479580
Europe PMC
Reaxys:80811
Reaxys
D-PROLINE
PDBeChem
D-Proline
KEGG_COMPOUND
D-proline
IUPAC
(2R)-pyrrolidine-2-carboxylic acid
IUPAC
(R)-2-Carboxypyrrolidine
HMDB
(R)-pyrrolidine-2-carboxylic acid
ChEBI
D-Prolin
ChEBI
DPR
PDBeChem
Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers.
0
SR2
32.066
31.97207
CHEBI:13694
CHEBI:26960
CHEBI:9340
KEGG:C00297
sulfides
chebi_ontology
RSR
Sulfide
Thioether
organic sulfides
thioethers
CHEBI:16385
organic sulfide
sulfides
IUPAC
RSR
IUPAC
Sulfide
KEGG_COMPOUND
Thioether
KEGG_COMPOUND
organic sulfides
ChEBI
thioethers
IUPAC
An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes.
0
C12H7Cl3O2
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
XEFQLINVKFYRCS-UHFFFAOYSA-N
289.54200
287.95116
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
CHEBI:29697
CHEBI:47700
Beilstein:2057142
CAS:3380-34-5
DrugBank:DB08604
Drug_Central:3631
KEGG:C12059
KEGG:D06226
LINCS:LSM-2929
PDBeChem:TCL
PMID:11175846
PMID:11418506
PMID:15269185
PMID:17567585
PMID:18837732
PMID:18937596
PMID:19388793
PMID:21094257
PMID:21166831
PMID:21833630
PMID:22105314
PMID:22561896
PMID:22746545
PMID:23146048
PMID:23161706
PMID:23192912
PMID:23282071
PMID:23313217
PMID:23320506
PMID:23368947
PMID:23435526
PMID:23561013
PMID:23592331
PMID:23614034
PMID:23648333
PMID:23791346
PMID:23831729
PMID:23890965
PMID:23927454
PMID:24079913
PMID:25179274
PMID:28236114
PMID:28339349
PMID:28632490
PMID:28741979
PMID:29030459
PMID:29067681
PMID:29100157
PMID:29109308
PMID:29111213
PMID:29111444
PMID:29131715
PMID:29150338
PMID:29154092
PMID:29172042
PMID:29175687
PMID:29197580
PMID:29205483
PMID:29214481
PMID:29232866
PMID:29277667
PMID:29332277
PMID:29340711
PMID:29348637
Patent:NL6401526
Patent:US3506720
Patent:US3629477
Reaxys:2057142
Wikipedia:Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
Triclosan
chebi_ontology
2,4,4'-Trichloro-2'-hydroxydiphenyl ether
5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
triclosan
triclosanum
CHEBI:164200
triclosan
Beilstein:2057142
Beilstein
CAS:3380-34-5
ChemIDplus
CAS:3380-34-5
KEGG COMPOUND
Drug_Central:3631
DrugCentral
PMID:11175846
Europe PMC
PMID:11418506
Europe PMC
PMID:15269185
Europe PMC
PMID:17567585
Europe PMC
PMID:18837732
Europe PMC
PMID:18937596
Europe PMC
PMID:19388793
Europe PMC
PMID:21094257
Europe PMC
PMID:21166831
Europe PMC
PMID:21833630
Europe PMC
PMID:22105314
Europe PMC
PMID:22561896
Europe PMC
PMID:22746545
Europe PMC
PMID:23146048
Europe PMC
PMID:23161706
Europe PMC
PMID:23192912
Europe PMC
PMID:23282071
Europe PMC
PMID:23313217
Europe PMC
PMID:23320506
Europe PMC
PMID:23368947
Europe PMC
PMID:23435526
Europe PMC
PMID:23561013
Europe PMC
PMID:23592331
Europe PMC
PMID:23614034
Europe PMC
PMID:23648333
Europe PMC
PMID:23791346
Europe PMC
PMID:23831729
Europe PMC
PMID:23890965
Europe PMC
PMID:23927454
Europe PMC
PMID:24079913
Europe PMC
PMID:25179274
Europe PMC
PMID:28236114
Europe PMC
PMID:28339349
Europe PMC
PMID:28632490
Europe PMC
PMID:28741979
Europe PMC
PMID:29030459
Europe PMC
PMID:29067681
Europe PMC
PMID:29100157
Europe PMC
PMID:29109308
Europe PMC
PMID:29111213
Europe PMC
PMID:29111444
Europe PMC
PMID:29131715
Europe PMC
PMID:29150338
Europe PMC
PMID:29154092
Europe PMC
PMID:29172042
Europe PMC
PMID:29175687
Europe PMC
PMID:29197580
Europe PMC
PMID:29205483
Europe PMC
PMID:29214481
Europe PMC
PMID:29232866
Europe PMC
PMID:29277667
Europe PMC
PMID:29332277
Europe PMC
PMID:29340711
Europe PMC
PMID:29348637
Europe PMC
Reaxys:2057142
Reaxys
5-chloro-2-(2,4-dichlorophenoxy)phenol
IUPAC
Triclosan
KEGG_COMPOUND
2,4,4'-Trichloro-2'-hydroxydiphenyl ether
ChemIDplus
5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
ChEMBL
triclosan
ChemIDplus
triclosan
WHO_MedNet
triclosanum
ChemIDplus
A naturally occurring polypeptide synthesized at the ribosome.
CHEBI:8526
KEGG:C00017
chebi_ontology
Protein
a protein
polypeptide chain
protein polypeptide chains
CHEBI:16541
protein polypeptide chain
Protein
KEGG_COMPOUND
a protein
UniProt
polypeptide chain
ChEBI
protein polypeptide chains
ChEBI
Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates.
CHEBI:15131
CHEBI:23008
CHEBI:9318
Wikipedia:Carbohydrate
carbohydrate
carbohydrates
chebi_ontology
Kohlenhydrat
Kohlenhydrate
a carbohydrate
carbohidrato
carbohidratos
glucide
glucides
glucido
glucidos
hydrates de carbone
saccharide
saccharides
saccharidum
CHEBI:16646
carbohydrate
carbohydrate
IUPAC
carbohydrates
IUPAC
Kohlenhydrat
ChEBI
Kohlenhydrate
ChEBI
a carbohydrate
UniProt
carbohidrato
IUPAC
carbohidratos
IUPAC
glucide
ChEBI
glucides
ChEBI
glucido
ChEBI
glucidos
ChEBI
hydrates de carbone
ChEBI
saccharide
IUPAC
saccharides
IUPAC
saccharidum
ChEBI
Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
0
(C2H2NOR)nC2H3NOR
CHEBI:14753
CHEBI:25906
CHEBI:7990
KEGG:C00012
Peptide
peptides
chebi_ontology
Peptid
peptido
peptidos
CHEBI:16670
peptide
Peptide
KEGG_COMPOUND
peptides
IUPAC
Peptid
ChEBI
peptido
ChEBI
peptidos
ChEBI
A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond.
0
C9H12N2O6
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
DRTQHJPVMGBUCF-XVFCMESISA-N
244.20146
244.06954
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
CHEBI:15296
CHEBI:27227
CHEBI:46386
CHEBI:46391
CHEBI:46460
CHEBI:9893
Beilstein:754904
CAS:58-96-8
DrugBank:DB02745
ECMDB:ECMDB00296
Gmelin:397474
HMDB:HMDB0000296
KEGG:C00299
KNApSAcK:C00019674
MetaCyc:URIDINE
PDBeChem:URI
PMID:12084455
PMID:15621516
PMID:16839635
PMID:17190852
PMID:22392515
PMID:22770225
Reaxys:754904
Wikipedia:Uridine
YMDB:YMDB00127
URIDINE
Uridine
uridine
chebi_ontology
1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
1-beta-D-ribofuranosyluracil
Urd
Uridin
beta-Uridine
u
CHEBI:16704
uridine
Beilstein:754904
Beilstein
CAS:58-96-8
ChemIDplus
CAS:58-96-8
KEGG COMPOUND
Gmelin:397474
Gmelin
PMID:12084455
Europe PMC
PMID:15621516
Europe PMC
PMID:16839635
Europe PMC
PMID:17190852
Europe PMC
PMID:22392515
Europe PMC
PMID:22770225
Europe PMC
Reaxys:754904
Reaxys
URIDINE
PDBeChem
Uridine
KEGG_COMPOUND
uridine
IUPAC
uridine
UniProt
1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
ChEBI
1-beta-D-ribofuranosyluracil
HMDB
Urd
CBN
Uridin
ChemIDplus
beta-Uridine
HMDB
u
ChEBI
A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.
0
C8H12N2O3S
InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
NGHVIOIJCVXTGV-ALEPSDHESA-N
216.260
216.05686
C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O
CHEBI:20705
CHEBI:2172
Beilstein:15080
Beilstein:959078
CAS:551-16-6
Gmelin:1876702
KEGG:C02954
PDBeChem:X1E
PMID:12569987
PMID:1384868
PMID:14687482
PMID:1701026
PMID:20970923
PMID:21614893
PMID:24293403
PMID:24389703
PMID:24631718
PMID:25057428
PMID:26852849
PMID:26986755
PMID:6166603
Patent:US2941995
Reaxys:15080
Wikipedia:6-APA
6-Aminopenicillanic acid
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
chebi_ontology
(+)-6-aminopenicillanic acid
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-APA
6-Aminopenicillamine acid
6-Aminopenicillanate
6-Apa
6-Aps
6beta-aminopenicillanic acid
Aminopenicillanic acid
Penicin
Penin
Phenacyl 6-aminopenicillinate
CHEBI:16705
6-aminopenicillanic acid
Beilstein:15080
Beilstein
Beilstein:959078
Beilstein
CAS:551-16-6
ChemIDplus
CAS:551-16-6
KEGG COMPOUND
Gmelin:1876702
Gmelin
PMID:12569987
Europe PMC
PMID:1384868
Europe PMC
PMID:14687482
Europe PMC
PMID:1701026
Europe PMC
PMID:20970923
Europe PMC
PMID:21614893
Europe PMC
PMID:24293403
Europe PMC
PMID:24389703
Europe PMC
PMID:24631718
Europe PMC
PMID:25057428
Europe PMC
PMID:26852849
Europe PMC
PMID:26986755
Europe PMC
PMID:6166603
Europe PMC
Reaxys:15080
Reaxys
6-Aminopenicillanic acid
KEGG_COMPOUND
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
(+)-6-aminopenicillanic acid
ChEBI
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
6-APA
ChEBI
6-Aminopenicillamine acid
ChemIDplus
6-Aminopenicillanate
KEGG_COMPOUND
6-Apa
ChemIDplus
6-Aps
ChemIDplus
6beta-aminopenicillanic acid
ChEBI
Aminopenicillanic acid
ChemIDplus
Penicin
ChemIDplus
Penin
ChemIDplus
Phenacyl 6-aminopenicillinate
ChemIDplus
A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.
0
C6H6
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
UHOVQNZJYSORNB-UHFFFAOYSA-N
78.11184
78.04695
c1ccccc1
CHEBI:13876
CHEBI:22703
CHEBI:3025
CHEBI:41187
Beilstein:969212
CAS:71-43-2
Gmelin:1671
HMDB:HMDB0001505
KEGG:C01407
PDBeChem:BNZ
PMID:11684179
PMID:11993966
PMID:12857942
PMID:14677922
PMID:15468289
PMID:15935818
PMID:16161967
PMID:17373369
PMID:18072742
PMID:18407866
PMID:18409691
PMID:18836923
PMID:19228219
PMID:21325737
PMID:23088855
PMID:23222815
PMID:23534829
PMID:6353911
PMID:8124204
Reaxys:969212
UM-BBD_compID:c0142
Wikipedia:Benzene
BENZENE
Benzene
benzene
chebi_ontology
Benzen
Benzine
Benzol
Bicarburet of hydrogen
Coal naphtha
Mineral naphtha
Phene
Pyrobenzol
Pyrobenzole
[6]annulene
benzole
cyclohexatriene
phenyl hydride
CHEBI:16716
benzene
Beilstein:969212
Beilstein
CAS:71-43-2
ChemIDplus
CAS:71-43-2
KEGG COMPOUND
CAS:71-43-2
NIST Chemistry WebBook
Gmelin:1671
Gmelin
PMID:11684179
Europe PMC
PMID:11993966
Europe PMC
PMID:12857942
Europe PMC
PMID:14677922
Europe PMC
PMID:15468289
Europe PMC
PMID:15935818
Europe PMC
PMID:16161967
Europe PMC
PMID:17373369
Europe PMC
PMID:18072742
Europe PMC
PMID:18407866
Europe PMC
PMID:18409691
Europe PMC
PMID:18836923
Europe PMC
PMID:19228219
Europe PMC
PMID:21325737
Europe PMC
PMID:23088855
Europe PMC
PMID:23222815
Europe PMC
PMID:23534829
Europe PMC
PMID:6353911
Europe PMC
PMID:8124204
Europe PMC
Reaxys:969212
Reaxys
UM-BBD_compID:c0142
UM-BBD
BENZENE
PDBeChem
Benzene
KEGG_COMPOUND
benzene
ChEBI
benzene
IUPAC
benzene
UniProt
Benzen
IUPAC
Benzine
UM-BBD
Benzol
ChemIDplus
Bicarburet of hydrogen
ChemIDplus
Coal naphtha
ChemIDplus
Mineral naphtha
ChemIDplus
Phene
ChemIDplus
Pyrobenzol
ChemIDplus
Pyrobenzole
ChemIDplus
[6]annulene
NIST_Chemistry_WebBook
benzole
NIST_Chemistry_WebBook
cyclohexatriene
UM-BBD
phenyl hydride
UM-BBD
A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body.
Wikipedia:Mineral_(nutrient)
mineral nutrient
chebi_ontology
mineral nutrients
nutrient mineral
nutrient minerals
CHEBI:167164
mineral nutrient
mineral nutrient
ChEBI
mineral nutrients
ChEBI
nutrient mineral
ChEBI
nutrient minerals
ChEBI
A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water.
Wikipedia:Piscicide
chebi_ontology
piscicides
CHEBI:167183
piscicide
piscicides
ChEBI
0
C2H4NO2R
74.05870
74.02420
N[C@H]([*])C(O)=O
CHEBI:12909
CHEBI:13625
CHEBI:20906
CHEBI:4097
KEGG:C00405
D-alpha-amino acid
D-alpha-amino acids
chebi_ontology
D-Amino acid
D-alpha-amino acids
CHEBI:16733
D-alpha-amino acid
D-alpha-amino acid
ChEBI
D-alpha-amino acids
IUPAC
D-Amino acid
KEGG_COMPOUND
D-alpha-amino acids
ChEBI
Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001.
chebi_ontology
glycans
CHEBI:167559
glycan
glycans
ChEBI
A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves.
0
C7H6O3
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
YGSDEFSMJLZEOE-UHFFFAOYSA-N
138.12070
138.03169
OC(=O)c1ccccc1O
CHEBI:26597
CHEBI:45521
CHEBI:9006
Beilstein:774890
CAS:69-72-7
DrugBank:DB00936
Drug_Central:2416
Gmelin:3418
HMDB:HMDB0001895
KEGG:C00805
KEGG:D00097
KNApSAcK:C00000206
LINCS:LSM-4763
MetaCyc:CPD-110
PDBeChem:SAL
PMID:11016405
PMID:12865403
PMID:1650428
PMID:19400653
PMID:19816125
PMID:22770225
PMID:29079364
PMID:32807953
PMID:3425858
Reaxys:774890
Wikipedia:Salicylic_Acid
2-hydroxybenzoic acid
Salicylic acid
chebi_ontology
2-HYDROXYBENZOIC ACID
2-carboxyphenol
o-Hydroxybenzoic acid
o-carboxyphenol
o-hydroxybenzoic acid
CHEBI:16914
salicylic acid
Beilstein:774890
Beilstein
CAS:69-72-7
ChemIDplus
CAS:69-72-7
KEGG COMPOUND
CAS:69-72-7
NIST Chemistry WebBook
Drug_Central:2416
DrugCentral
Gmelin:3418
Gmelin
PMID:11016405
Europe PMC
PMID:12865403
Europe PMC
PMID:1650428
Europe PMC
PMID:19400653
Europe PMC
PMID:19816125
Europe PMC
PMID:22770225
Europe PMC
PMID:29079364
Europe PMC
PMID:32807953
Europe PMC
PMID:3425858
Europe PMC
Reaxys:774890
Reaxys
2-hydroxybenzoic acid
IUPAC
Salicylic acid
KEGG_COMPOUND
2-HYDROXYBENZOIC ACID
PDBeChem
2-carboxyphenol
NIST_Chemistry_WebBook
o-Hydroxybenzoic acid
KEGG_COMPOUND
o-carboxyphenol
NIST_Chemistry_WebBook
o-hydroxybenzoic acid
NIST_Chemistry_WebBook
0
C20H37N3O13
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
GRRNUXAQVGOGFE-NZSRVPFOSA-N
527.52010
527.23264
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O
CHEBI:14426
CHEBI:24752
CHEBI:43202
CHEBI:5821
Beilstein:6755837
CAS:31282-04-9
KEGG:C01925
PDBeChem:HYG
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside
HYGROMYCIN B
Hygromycin B
chebi_ontology
Antibiotic A-396-II
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine
CHEBI:16976
hygromycin B
Beilstein:6755837
Beilstein
CAS:31282-04-9
ChemIDplus
CAS:31282-04-9
KEGG COMPOUND
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside
IUPAC
HYGROMYCIN B
PDBeChem
Hygromycin B
KEGG_COMPOUND
Antibiotic A-396-II
KEGG_COMPOUND
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine
ChEBI
An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues.
0
H2O(C8H13NO5)n
CHEBI:13962
CHEBI:23099
CHEBI:3596
CAS:1398-61-4
KEGG:C00461
KEGG:G10483
(1->4)-2-acetamido-2-deoxy-beta-D-glucan
Chitin
chitin
chebi_ontology
[1,4-(N-Acetyl-beta-D-glucosaminyl)]n
[4)-beta-D-GlcpNAc(1->]n
beta-1,4-Poly-N-acetyl-D-glucosamine
CHEBI:17029
chitin
CAS:1398-61-4
KEGG COMPOUND
(1->4)-2-acetamido-2-deoxy-beta-D-glucan
IUPAC
Chitin
KEGG_COMPOUND
chitin
IUPAC
chitin
UniProt
[1,4-(N-Acetyl-beta-D-glucosaminyl)]n
KEGG_COMPOUND
[4)-beta-D-GlcpNAc(1->]n
IUPAC
beta-1,4-Poly-N-acetyl-D-glucosamine
KEGG_COMPOUND
A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class
0
C21H39N7O12
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
UCSJYZPVAKXKNQ-HZYVHMACSA-N
581.57434
581.26567
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
CHEBI:15119
CHEBI:26784
CHEBI:45745
CHEBI:9284
Beilstein:74498
CAS:57-92-1
DrugBank:DB01082
Drug_Central:2481
HMDB:HMDB0015214
KEGG:C00413
KEGG:D08531
MetaCyc:STREPTOMYCIN
PDBeChem:SRY
PMID:11228320
PMID:11905029
PMID:12118520
PMID:13030054
PMID:13116094
PMID:13136149
PMID:13596285
PMID:13691614
PMID:13985260
PMID:13990247
PMID:14623118
PMID:14828344
PMID:14852338
PMID:14939639
PMID:15081082
PMID:15137533
PMID:15207172
PMID:15686853
PMID:15736038
PMID:16904706
PMID:17105735
PMID:17238915
PMID:17429930
PMID:18173084
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