http://dx.doi.org/10.1186/2041-1480-4-30
http://orcid.org/0000-0002-1373-1705
http://orcid.org/0000-0002-7073-9172
https://orcid.org/0000-0001-5948-3092
https://orcid.org/0000-0002-0027-0858
A miscellaneous ontology of terms used for curation in FlyBase, including the DPO.
FlyBase Controlled Vocabulary (FBcv)
https://creativecommons.org/licenses/by/4.0/
02:12:2022 13:39
FlyBase miscellaneous CV
1.2
2022-12-02
editor preferred term
example of usage
definition
definition
textual definition
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
editor note
term editor
alternative term
definition source
curator note
has ontology root term
Ontology annotation property. Relates an ontology to a term that is a designated root term of the ontology. Display tools like OLS can use terms annotated with this property as the starting point for rendering the ontology class hierarchy. There can be more than one root.
Nicolas Matentzoglu
IAO:0000700
uberon
has_ontology_root_term
true
has_ontology_root_term
has ontology root term
term replaced by
Use on obsolete terms, relating the term to another term that can be used as a substitute
Person:Alan Ruttenberg
Person:Alan Ruttenberg
Add as annotation triples in the granting ontology
term replaced by
term replaced by
An assertion that holds between an OWL Object Property and a temporal interpretation that elucidates how OWL Class Axioms that use this property are to be interpreted in a temporal context.
temporal interpretation
https://oborel.github.io/obo-relations/temporal-semantics/
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
part-of is homeomorphic for independent continuants.
R is homemorphic for C iff (1) there exists some x,y such that x R y, and x and y instantiate C and (2) for all x, if x is an instance of C, and there exists some y some such that x R y, then it follows that y is an instance of C.
cjm
2018-10-21T19:46:34Z
R homeomorphic-for C expands to: C SubClassOf R only C. Additionally, for any class D that is disjoint with C, we can also expand to C DisjointWith R some D, D DisjointWith R some C.
is homeomorphic for
pg
2020-09-22T11:05:29Z
valid_for_go_annotation_extension
pg
2020-09-22T11:05:18Z
valid_for_go_gp2term
pg
2020-09-22T11:04:12Z
valid_for_go_ontology
pg
2020-09-22T11:05:45Z
valid_for_gocam
camcur
BrainName official abbreviation
BRAND NAME
EmbDevSlim
FORMULA
FlyTed temp subset for edit tracking purposes
Testis slim
INN
IUPAC NAME
InChI
InChIKey
terms for rd test ontology
SMILES
Abnormal/normal slim
Absent/present slim
Attribute slim
camcur
cell_quality
Terms to summarize typical use of a gene from one organism that is introduced into another organism primarily for use an experimental tool, rather than to study the function of the gene
cur
warning of impending obsoletion
Term not to be used for direct annotation
do not annotate
Term not to be used for direct manual annotation
MGI ribbon terms
fbcvsubset_mgiribbons
larval olfactory system
lethal phase terms
Relational slim: types of quality that require an additional entity in order to exist
Systematic synonym
Value slim
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/contributor
uberon
dc-contributor
true
dc-contributor
contributor
http://purl.org/dc/terms/date
uberon
dcterms-date
true
dcterms-date
date
http://purl.org/dc/terms/license
uberon
dcterms-license
true
dcterms-license
license
subset_property
synonym_type_property
consider
has_alternative_id
has_broad_synonym
database_cross_reference
has_exact_synonym
has_narrow_synonym
has_obo_format_version
has_obo_namespace
has_related_synonym
has_scope
in_subset
shorthand
label
label
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
OBO_REL:part_of
external
quality
relationship
uberon
part_of
part_of
part of
http://www.obofoundry.org/ro/#OBO_REL: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
OBO_REL:has_part
chebi_ontology
external
quality
relationship
uberon
has_part
false
has_part
We use the has_part relation to relate complex qualities to more primitive ones. A complex quality is a collection of qualities. The complex quality cannot exist without the sub-qualities. For example, the quality 'swollen' necessarily comes with the qualities of 'protruding' and 'increased size'.
has part
has part
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
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
has_age
FBdv:00018001
relationship
substage_of
substage_of
Creating this relation as a temporary fix, pending adding the axiom occurrent_part_of subproperty of happens_during to RO.
substage_of
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 dependent inheres in its bearer at all times for which the dependent exists.
inheres_in
RO:0000052
fly_anatomy.ontology
characteristic_of
characteristic_of
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
bearer of
this apple is bearer of this red color
this vase is bearer of this fragility
Inverse of characteristic_of
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
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
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
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
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
RO:0000087
FlyBase miscellaneous CV
chebi_ontology
has_role
false
false
has_role
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
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
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.
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.
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.
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.
GOC:dos
David Osumi-Sutherland
<=
Primitive instance level timing relation between events
before or simultaneous with
David Osumi-Sutherland
t1 before t2 iff:= t1 before_or_simulataneous_with t2 and not (t1 simultaeous_with t2)
before
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
X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
immediately preceded by
David Osumi-Sutherland
ends_at_start_of
meets
X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)
immediately precedes
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)
overlaps
true
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.
has component
x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y
Chris Mungall
David Osumi-Sutherland
Melissa Haendel
Terry Meehan
This is the transitive form of the develops from relation
develops from
inverse of develops from
Chris Mungall
David Osumi-Sutherland
Terry Meehan
develops into
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.
Chris Mungall
David Hill
Tanya Berardini
GO
Regulation precludes parthood; the regulatory process may not be within the regulated process.
regulates (processual)
false
regulates
p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q.
Chris Mungall
negatively regulates (process to process)
negatively regulates
p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q.
Chris Mungall
positively regulates (process to process)
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.
Chris Mungall
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)".
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.
Chris Mungall
has function in
capable of part of
true
Chris Mungall
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
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.
Chris Mungall
consumes
has input
Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong]
x has developmental contribution from y iff x has some part z such that z develops from y
Chris Mungall
has developmental contribution from
inverse of has developmental contribution from
Chris Mungall
developmentally contributes to
Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p
false
Chris Mungall
In general you should not use this relation to make assertions - use one of the more specific relations below this one
This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from
developmentally preceded by
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
Inverse of developmentally preceded by
Chris Mungall
developmentally succeeded by
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.
cjm
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.
cjm
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
Because part_of is transitive, inheres in is a sub-relation of inheres in part of
Chris Mungall
inheres in part of
characteristic of part of
true
A mereological relationship or a topological relationship
Chris Mungall
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)
Chris Mungall
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.
Chris Mungall
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
A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities.
Chris Mungall
This is a grouping relation that collects relations used for the purpose of connecting structure and function
functionally related to
this relation holds between c and p when c is part of some c', and c' is capable of p.
Chris Mungall
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
Chris Mungall
actively involved in
enables part of
involved in
inverse of enables
Chris Mungall
enabled by
inverse of regulates
Chris Mungall
regulated by (processual)
regulated by
inverse of negatively regulates
Chris Mungall
negatively regulated by
inverse of positively regulates
Chris Mungall
positively regulated by
An organism that is a member of a population of organisms
is member of is a mereological relation between a item and a collection.
is member of
member part of
SIO
member of
has member is a mereological relation between a collection and an item.
SIO
RO:0002351
uberon
has_member
has_member
has member
inverse of has input
Chris Mungall
input of
x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction).
Chris Mungall
has developmental potential involving
x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y
Chris Mungall
has potential to developmentally contribute to
x has the potential to develop into y iff x develops into y or if x is capable of developing into y
Chris Mungall
has potential to develop into
x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y
Chris Mungall
has potential to directly develop into
inverse of upstream of
Chris Mungall
causally downstream of
Chris Mungall
immediately causally downstream of
p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q.
Chris Mungall
indirectly activates
indirectly positively regulates
p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q.
Chris Mungall
indirectly inhibits
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.
Chris Mungall
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.
Chris Mungall
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.
Chris Mungall
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
Chris Mungall
influences (processual)
affects
causally upstream of or within
inverse of causally upstream of or within
Chris Mungall
causally downstream of or within
c involved in regulation of p if c is involved in some p' and p' regulates some p
Chris Mungall
involved in regulation of
c involved in regulation of p if c is involved in some p' and p' positively regulates some p
Chris Mungall
involved in positive regulation of
c involved in regulation of p if c is involved in some p' and p' negatively regulates some p
Chris Mungall
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
Chris Mungall
involved in or reguates
involved in or involved in regulation of
A relationship that holds between two entities in which the processes executed by the two entities are causally connected.
Considering relabeling as 'pairwise interacts with'
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.
Chris Mungall
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.
Chris Mungall
binds
molecularly binds with
molecularly interacts with
http://purl.obolibrary.org/obo/MI_0915
Axiomatization to GO to be added later
Chris Mungall
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.
Chris Mungall
Vasundra Touré
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.
Chris Mungall
Vasundra Touré
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.
Chris Mungall
Vasundra Touré
directly activates
molecularly increases activity of
directly positively regulates activity of
Chris Mungall
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)
Chris Mungall
is kinase activity
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.
Chris Mungall
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
Chris Mungall
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.
Chris Mungall
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
Chris Mungall
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
Chris Mungall
causally influenced by (entity-centric)
causally influenced by
Chris Mungall
interaction relation helper property
http://purl.obolibrary.org/obo/ro/docs/interaction-relations/
Chris Mungall
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).
Chris Mungall
Vasundra Touré
causally influences (entity-centric)
causally influences
A relation that holds between an attribute or a qualifier and another attribute.
Chris Mungall
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.
Chris Mungall
directly regulates (processual)
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
Chris Mungall
has part structure that is capable 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.
Chris Mungall
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'
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)
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)
directly negatively regulates
Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P.
cjm
2018-01-25T23:20:13Z
enables subfunction
cjm
2018-01-26T23:49:30Z
acts upstream of or within, positive effect
cjm
2018-01-26T23:49:51Z
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
cjm
2018-01-26T23:53:14Z
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
cjm
2018-01-26T23:53:22Z
acts upstream of, negative effect
cjm
2018-03-13T23:55:05Z
causally upstream of or within, negative effect
cjm
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.
Vasundra Touré
regulates activity 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
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.
https://orcid.org/0000-0001-9625-1899
https://orcid.org/0000-0003-2620-0345
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
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.
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.
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.
negatively regulates characteristic
chebi_ontology
has_functional_parent
false
false
has functional parent
chebi_ontology
has_parent_hydride
false
false
has parent hydride
chebi_ontology
is_conjugate_acid_of
true
false
is conjugate acid of
chebi_ontology
is_conjugate_base_of
true
false
is conjugate base of
chebi_ontology
is_enantiomer_of
true
false
is enantiomer of
chebi_ontology
is_substituent_group_from
false
false
is substituent group from
chebi_ontology
is_tautomer_of
true
is tautomer of
FlyBase miscellaneous CV
conditionality
conditionality
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.
continuant
An entity that has temporal parts and that happens, unfolds or develops through time.
occurrent
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
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
process
disposition
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.
realizable entity
quality
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
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
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.
generically dependent continuant
function
An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time.
material entity
anatomical entity
biological entity
A naphthol carrying a hydroxy group at position 2.
0
C10H8O
InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
JWAZRIHNYRIHIV-UHFFFAOYSA-N
144.173
144.05751
OC1=CC2=CC=CC=C2C=C1
Beilstein:742134
CAS:135-19-3
Drug_Central:3370
FooDB:FDB000877
Gmelin:27395
HMDB:HMDB0012322
KEGG:C11713
MetaCyc:CPD-8131
PDBeChem:03V
PMID:13386410
PMID:14751800
PMID:18515997
PMID:18856458
PMID:20260560
PMID:22069470
PMID:22740618
PMID:23344974
PMID:29987264
PMID:30572877
PMID:30828382
PMID:32206945
PMID:33862438
PMID:34033865
Reaxys:742134
Wikipedia:2-Naphthol
2-Naphthol
2-naphthol
naphthalen-2-ol
chebi_ontology
2-Naftol
2-hydroxynaphthalene
2-naftolo
2-naphthalenol
2-naphtol
Antioxygene BN
Azogen Developer A
C.I. Azoic Coupling Component 1
C.I. Developer 5
Developer A
Developer AMS
Developer BN
Isonaphthol
beta-Naftol
beta-Naphthol
beta-Naphtol
beta-hydroxynaphthalene
beta-naftolo
beta-naphthol
beta-naphthyl alcohol
beta-naphthyl hydroxide
CHEBI:10432
2-naphthol
Beilstein:742134
Beilstein
CAS:135-19-3
ChemIDplus
CAS:135-19-3
KEGG COMPOUND
CAS:135-19-3
NIST Chemistry WebBook
Drug_Central:3370
DrugCentral
Gmelin:27395
Gmelin
PMID:13386410
Europe PMC
PMID:14751800
Europe PMC
PMID:18515997
Europe PMC
PMID:18856458
Europe PMC
PMID:20260560
Europe PMC
PMID:22069470
Europe PMC
PMID:22740618
Europe PMC
PMID:23344974
Europe PMC
PMID:29987264
Europe PMC
PMID:30572877
Europe PMC
PMID:30828382
Europe PMC
PMID:32206945
Europe PMC
PMID:33862438
Europe PMC
PMID:34033865
Europe PMC
Reaxys:742134
Reaxys
2-Naphthol
KEGG_COMPOUND
2-naphthol
UniProt
naphthalen-2-ol
IUPAC
2-Naftol
ChemIDplus
2-hydroxynaphthalene
HMDB
2-naftolo
ChemIDplus
2-naphthalenol
NIST_Chemistry_WebBook
2-naphtol
ChemIDplus
Antioxygene BN
HMDB
Azogen Developer A
HMDB
C.I. Azoic Coupling Component 1
ChemIDplus
C.I. Developer 5
ChemIDplus
Developer A
ChemIDplus
Developer AMS
ChemIDplus
Developer BN
ChemIDplus
Isonaphthol
ChemIDplus
beta-Naftol
ChemIDplus
beta-Naphthol
KEGG_COMPOUND
beta-Naphtol
ChemIDplus
beta-hydroxynaphthalene
ChemIDplus
beta-hydroxynaphthalene
NIST_Chemistry_WebBook
beta-naftolo
ChemIDplus
beta-naphthol
NIST_Chemistry_WebBook
beta-naphthyl alcohol
ChemIDplus
beta-naphthyl hydroxide
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
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 member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives.
0
C6O2R4
104.063
103.98983
O=C1C(*)=C(*)C(=O)C(*)=C1*
chebi_ontology
a quinone
p-benzoquinones
para-benzoquinones
CHEBI:132124
1,4-benzoquinones
a quinone
UniProt
p-benzoquinones
ChEBI
para-benzoquinones
ChEBI
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
An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups.
-1
CH2O3SR
94.091
93.97246
C(S([O-])(=O)=O)*
CHEBI:22318
MetaCyc:Alkanesulfonates
chebi_ontology
alkanesulfonate oxoanions
alkanesulfonates
an alkanesulfonate
CHEBI:134249
alkanesulfonate oxoanion
alkanesulfonate oxoanions
ChEBI
alkanesulfonates
ChEBI
an alkanesulfonate
UniProt
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
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 atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included.
Wikipedia:Metalloid
chebi_ontology
metalloid
metalloids
CHEBI:137980
metalloid atom
metalloid
ChEBI
metalloids
ChEBI
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
Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s).
chebi_ontology
isotopically modified compounds
CHEBI:139358
isotopically modified compound
isotopically modified compounds
ChEBI
Any isotopically modified compound that has one or more hydrogens replaced by tritium.
chebi_ontology
(3)H-labeled compound
(3)H-labeled compounds
(3)H-labelled compound
(3)H-labelled compounds
tritiated compounds
tritium-labeled compound
tritium-labeled compounds
tritium-labelled compound
tritium-labelled compounds
CHEBI:139359
tritiated compound
(3)H-labeled compound
ChEBI
(3)H-labeled compounds
ChEBI
(3)H-labelled compound
ChEBI
(3)H-labelled compounds
ChEBI
tritiated compounds
ChEBI
tritium-labeled compound
ChEBI
tritium-labeled compounds
ChEBI
tritium-labelled compound
ChEBI
tritium-labelled compounds
ChEBI
-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
Any methoxyflavanone having a methoxy substituent located at position 4'.
0
C16H5O3R9
245.210
245.02387
C1(=C(C(=C(C2=C1OC(C(C2=O)*)C3=C(C(=C(C(=C3*)*)OC)*)*)*)*)*)*
MetaCyc:4-Methoxyflavanones
2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
chebi_ontology
a 4'-methoxyflavanone
CHEBI:140332
4'-methoxyflavanones
MetaCyc:4-Methoxyflavanones
SUBMITTER
2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
IUPAC
a 4'-methoxyflavanone
UniProt
An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group
-1
C5H8NO4
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1
WHUUTDBJXJRKMK-UHFFFAOYSA-M
146.12136
146.04588
[NH3+]C(CCC([O-])=O)C([O-])=O
Gmelin:327908
glutamate(1-)
hydrogen glutamate
chebi_ontology
2-ammoniopentanedioate
glutamate
glutamic acid monoanion
CHEBI:14321
glutamate(1-)
Gmelin:327908
Gmelin
glutamate(1-)
JCBN
hydrogen glutamate
IUPAC
2-ammoniopentanedioate
IUPAC
glutamate
UniProt
glutamic acid monoanion
JCBN
Any agent that induces nausea and vomiting.
chebi_ontology
emetics
CHEBI:149552
emetic
emetics
ChEBI
A purine nucleobase found in humans and other organisms.
0
C5H4N4O2
152.111
152.03343
ECMDB:ECMDB00292
KNApSAcK:C00019660
PMID:1557408
PMID:24629268
PMID:9007687
YMDB:YMDB00263
xanthine
chebi_ontology
2,6-dioxopurine
2,6-dioxopurines
xanthines
CHEBI:15318
xanthine
PMID:1557408
Europe PMC
PMID:24629268
Europe PMC
PMID:9007687
Europe PMC
xanthine
ChEBI
2,6-dioxopurine
ChEBI
2,6-dioxopurines
ChEBI
xanthines
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 sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.
0
C3H7NO2S
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
XUJNEKJLAYXESH-UHFFFAOYSA-N
121.15922
121.01975
NC(CS)C(O)=O
CHEBI:14061
CHEBI:23508
CHEBI:4050
Beilstein:1721406
CAS:3374-22-9
Gmelin:2933
KEGG:C00736
KNApSAcK:C00001351
KNApSAcK:C00007323
PMID:17439666
PMID:25181601
Reaxys:1721406
Wikipedia:Cysteine
Cysteine
cysteine
chebi_ontology
2-Amino-3-mercaptopropionic acid
2-amino-3-mercaptopropanoic acid
2-amino-3-sulfanylpropanoic acid
C
Cys
Cystein
Hcys
Zystein
cisteina
CHEBI:15356
cysteine
Beilstein:1721406
Beilstein
CAS:3374-22-9
ChemIDplus
CAS:3374-22-9
KEGG COMPOUND
CAS:3374-22-9
NIST Chemistry WebBook
Gmelin:2933
Gmelin
PMID:17439666
Europe PMC
PMID:25181601
Europe PMC
Reaxys:1721406
Reaxys
Cysteine
KEGG_COMPOUND
cysteine
ChEBI
cysteine
IUPAC
2-Amino-3-mercaptopropionic acid
KEGG_COMPOUND
2-amino-3-mercaptopropanoic acid
JCBN
2-amino-3-sulfanylpropanoic acid
IUPAC
C
ChEBI
Cys
ChEBI
Cystein
ChEBI
Hcys
IUPAC
Zystein
ChEBI
cisteina
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
The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes).
+1
H
InChI=1S/p+1
GPRLSGONYQIRFK-UHFFFAOYSA-N
1.00794
1.008
[H+]
CHEBI:10744
CHEBI:13357
CHEBI:5584
KEGG:C00080
Hydron
hydrogen(1+)
hydron
chebi_ontology
H(+)
H+
CHEBI:15378
hydron
Hydron
KEGG_COMPOUND
hydrogen(1+)
IUPAC
hydron
IUPAC
H(+)
UniProt
H+
KEGG_COMPOUND
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 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
Any N-acyl-amino acid in which the amino acid moiety has D configuration.
0
C3H3NO3R2
101.06080
101.01129
OC(=O)[C@@H]([*])NC([*])=O
CHEBI:12474
CHEBI:21631
CHEBI:7224
chebi_ontology
CHEBI:15778
N-acyl-D-amino acid
An optically active form of glutamic acid having D-configuration.
0
C5H9NO4
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
WHUUTDBJXJRKMK-GSVOUGTGSA-N
147.12930
147.05316
N[C@H](CCC(O)=O)C(O)=O
CHEBI:21023
CHEBI:4183
Beilstein:1723800
CAS:6893-26-1
DrugBank:DB02517
Gmelin:201189
HMDB:HMDB0003339
KEGG:C00217
KNApSAcK:C00019577
MetaCyc:D-GLT
PDBeChem:DGL
Reaxys:1723800
(2R)-2-aminopentanedioic acid
D-Glutamic acid
D-glutamic acid
chebi_ontology
(R)-2-aminopentanedioic acid
D-2-Aminoglutaric acid
D-Glutaminic acid
D-Glutaminsaeure
DGL
glutamic acid D-form
CHEBI:15966
D-glutamic acid
Beilstein:1723800
Beilstein
CAS:6893-26-1
ChemIDplus
CAS:6893-26-1
KEGG COMPOUND
CAS:6893-26-1
NIST Chemistry WebBook
Gmelin:201189
Gmelin
Reaxys:1723800
Reaxys
(2R)-2-aminopentanedioic acid
IUPAC
D-Glutamic acid
KEGG_COMPOUND
D-glutamic acid
IUPAC
(R)-2-aminopentanedioic acid
ChEBI
D-2-Aminoglutaric acid
KEGG_COMPOUND
D-Glutaminic acid
KEGG_COMPOUND
D-Glutaminsaeure
ChEBI
DGL
PDBeChem
glutamic acid D-form
ChemIDplus
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 optically active form of glutamic acid having L-configuration.
0
C5H9NO4
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
WHUUTDBJXJRKMK-VKHMYHEASA-N
147.12930
147.05316
N[C@@H](CCC(O)=O)C(O)=O
CHEBI:21304
CHEBI:42825
CHEBI:6224
BPDB:2297
Beilstein:1723801
CAS:56-86-0
DrugBank:DB00142
Drug_Central:1310
Gmelin:3502
HMDB:HMDB0000148
KEGG:C00025
KEGG:D00007
KNApSAcK:C00001358
LINCS:LSM-36375
MetaCyc:GLT
PDBeChem:GLU_LFOH
PMID:15739367
PMID:15930465
PMID:16719819
PMID:16892196
PMID:19581495
PMID:22219301
PMID:22735334
Reaxys:1723801
Wikipedia:L-Glutamic_Acid
(2S)-2-aminopentanedioic acid
L-Glutamic acid
L-glutamic acid
chebi_ontology
(S)-2-aminopentanedioic acid
(S)-glutamic acid
E
GLUTAMIC ACID
Glu
Glutamate
L-Glu
L-Glutaminic acid
L-Glutaminsaeure
acide glutamique
acido glutamico
acidum glutamicum
glutamic acid
CHEBI:16015
L-glutamic acid
Beilstein:1723801
Beilstein
CAS:56-86-0
ChemIDplus
CAS:56-86-0
KEGG COMPOUND
CAS:56-86-0
NIST Chemistry WebBook
Drug_Central:1310
DrugCentral
Gmelin:3502
Gmelin
PMID:15739367
Europe PMC
PMID:15930465
Europe PMC
PMID:16719819
Europe PMC
PMID:16892196
Europe PMC
PMID:19581495
Europe PMC
PMID:22219301
Europe PMC
PMID:22735334
Europe PMC
Reaxys:1723801
Reaxys
(2S)-2-aminopentanedioic acid
IUPAC
L-Glutamic acid
KEGG_COMPOUND
L-glutamic acid
IUPAC
(S)-2-aminopentanedioic acid
ChEBI
(S)-glutamic acid
NIST_Chemistry_WebBook
E
ChEBI
GLUTAMIC ACID
PDBeChem
Glu
ChEBI
Glutamate
KEGG_COMPOUND
L-Glu
ChEBI
L-Glutaminic acid
KEGG_COMPOUND
L-Glutaminsaeure
ChEBI
acide glutamique
ChEBI
acido glutamico
ChEBI
acidum glutamicum
ChEBI
glutamic acid
ChEBI
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 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 2-aminopurine carrying a 6-oxo substituent.
0
C5H5N5O
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
UYTPUPDQBNUYGX-UHFFFAOYSA-N
151.126
151.04941
C12=C(N=C(NC1=O)N)NC=N2
CHEBI:14371
CHEBI:14372
CHEBI:24443
CHEBI:42948
CHEBI:5563
Beilstein:147911
CAS:73-40-5
DrugBank:DB02377
Gmelin:431879
HMDB:HMDB0000132
KEGG:C00242
KNApSAcK:C00001501
MetaCyc:GUANINE
PDBeChem:GUN
PMID:22770225
PMID:8070089
Reaxys:147911
Wikipedia:Guanine
2-amino-1,9-dihydro-6H-purin-6-one
GUANINE
Guanine
guanine
chebi_ontology
2-Amino-6-hydroxypurine
2-amino-6-oxopurine
G
Gua
CHEBI:16235
guanine
Beilstein:147911
Beilstein
CAS:73-40-5
ChemIDplus
CAS:73-40-5
KEGG COMPOUND
CAS:73-40-5
NIST Chemistry WebBook
Gmelin:431879
Gmelin
PMID:22770225
Europe PMC
PMID:8070089
Europe PMC
Reaxys:147911
Reaxys
2-amino-1,9-dihydro-6H-purin-6-one
IUPAC
GUANINE
PDBeChem
Guanine
KEGG_COMPOUND
guanine
UniProt
2-Amino-6-hydroxypurine
KEGG_COMPOUND
2-amino-6-oxopurine
ChEBI
G
ChEBI
Gua
CBN
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 hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.
0
C10H8
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
UFWIBTONFRDIAS-UHFFFAOYSA-N
128.17052
128.06260
c1ccc2ccccc2c1
CHEBI:14638
CHEBI:25469
CHEBI:44619
CHEBI:7472
Beilstein:1421310
CAS:91-20-3
Gmelin:3347
HMDB:HMDB0029751
KEGG:C00829
KNApSAcK:C00001259
MetaCyc:NAPHTHALENE
PDBeChem:NPY
PMID:10814889
PMID:11202734
PMID:16220979
PMID:16699520
PMID:17850896
PMID:26875834
PMID:26895256
PMID:27439360
PPDB:1312
Reaxys:1421310
UM-BBD_compID:c0333
Wikipedia:Naphthalene
NAPHTHALENE
Naphthalene
naphthalene
chebi_ontology
Naphthalen
Naphthalin
naftaleno
naftalina
naphtalene
naphtaline
CHEBI:16482
naphthalene
Beilstein:1421310
Beilstein
CAS:91-20-3
ChemIDplus
CAS:91-20-3
KEGG COMPOUND
CAS:91-20-3
NIST Chemistry WebBook
Gmelin:3347
Gmelin
PMID:10814889
Europe PMC
PMID:11202734
Europe PMC
PMID:16220979
Europe PMC
PMID:16699520
Europe PMC
PMID:17850896
Europe PMC
PMID:26875834
Europe PMC
PMID:26895256
Europe PMC
PMID:27439360
Europe PMC
Reaxys:1421310
Reaxys
UM-BBD_compID:c0333
UM-BBD
NAPHTHALENE
PDBeChem
Naphthalene
KEGG_COMPOUND
naphthalene
IUPAC
naphthalene
UniProt
Naphthalen
ChEBI
Naphthalin
NIST_Chemistry_WebBook
naftaleno
ChEBI
naftalina
ChEBI
naphtalene
ChEBI
naphtaline
ChEBI
The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.
0
C6H4O2
InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
AZQWKYJCGOJGHM-UHFFFAOYSA-N
108.09480
108.02113
O=C1C=CC(=O)C=C1
CHEBI:12837
CHEBI:15009
CHEBI:18927
CHEBI:49820
CHEBI:8730
Beilstein:773967
CAS:106-51-4
Gmelin:2741
HMDB:HMDB0003364
KEGG:C00472
KEGG:C15602
MetaCyc:P-BENZOQUINONE
PDBeChem:PLQ
PMID:10462055
PMID:11304127
PMID:1395635
PMID:15182198
PMID:15618234
PMID:15920754
PMID:16484134
PMID:24023812
PMID:25057895
PMID:9118901
Reaxys:773967
UM-BBD_compID:c0261
Wikipedia:1,4-Benzoquinone
1,4-Benzoquinone
1,4-benzoquinone
cyclohexa-2,5-diene-1,4-dione
chebi_ontology
1,4-Benzochinon
2,5-Cyclohexadiene-1,4-dione
Quinone
benzo-1,4-quinone
benzoquinone
p-Benzoquinone
p-Chinon
p-quinone
para-benzoquinone
CHEBI:16509
1,4-benzoquinone
Beilstein:773967
Beilstein
CAS:106-51-4
ChemIDplus
CAS:106-51-4
KEGG COMPOUND
CAS:106-51-4
NIST Chemistry WebBook
Gmelin:2741
Gmelin
PMID:10462055
Europe PMC
PMID:11304127
Europe PMC
PMID:1395635
Europe PMC
PMID:15182198
Europe PMC
PMID:15618234
Europe PMC
PMID:15920754
Europe PMC
PMID:16484134
Europe PMC
PMID:24023812
Europe PMC
PMID:25057895
Europe PMC
PMID:9118901
Europe PMC
Reaxys:773967
Reaxys
UM-BBD_compID:c0261
UM-BBD
1,4-Benzoquinone
KEGG_COMPOUND
1,4-benzoquinone
NIST_Chemistry_WebBook
1,4-benzoquinone
UniProt
cyclohexa-2,5-diene-1,4-dione
IUPAC
1,4-Benzochinon
ChEBI
2,5-Cyclohexadiene-1,4-dione
KEGG_COMPOUND
Quinone
KEGG_COMPOUND
benzo-1,4-quinone
NIST_Chemistry_WebBook
benzoquinone
ChemIDplus
p-Benzoquinone
KEGG_COMPOUND
p-Chinon
NIST_Chemistry_WebBook
p-quinone
HMDB
para-benzoquinone
HMDB
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 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
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
An aldehyde resulting from the formal oxidation of methanol.
0
CH2O
InChI=1S/CH2O/c1-2/h1H2
WSFSSNUMVMOOMR-UHFFFAOYSA-N
30.02598
30.01056
[H]C([H])=O
CHEBI:14274
CHEBI:24077
CHEBI:337763
CHEBI:5142
Beilstein:1209228
CAS:50-00-0
DrugBank:DB03843
Drug_Central:3244
Gmelin:445
HMDB:HMDB0001426
KEGG:C00067
KEGG:D00017
MetaCyc:FORMALDEHYDE
PDBeChem:FOR
PMID:110589
PMID:12686735
PMID:15091529
PMID:16423181
PMID:17618393
PMID:18837732
PMID:25042713
PMID:7381846
PMID:7548723
PMID:7689168
PMID:7896413
PMID:9686972
PPDB:359
Reaxys:1209228
UM-BBD_compID:c0122
Wikipedia:Formaldehyde
FORMALDEHYDE
Formaldehyde
formaldehyde
chebi_ontology
FORMALIN
Formaldehyd
Formalin
Methanal
Methylene oxide
Oxomethane
Oxomethylene
CHEBI:16842
formaldehyde
Beilstein:1209228
Beilstein
CAS:50-00-0
ChemIDplus
CAS:50-00-0
KEGG COMPOUND
CAS:50-00-0
NIST Chemistry WebBook
Drug_Central:3244
DrugCentral
Gmelin:445
Gmelin
PMID:110589
Europe PMC
PMID:12686735
Europe PMC
PMID:15091529
Europe PMC
PMID:16423181
Europe PMC
PMID:17618393
Europe PMC
PMID:18837732
Europe PMC
PMID:25042713
Europe PMC
PMID:7381846
ChEMBL
PMID:7548723
Europe PMC
PMID:7689168
Europe PMC
PMID:7896413
Europe PMC
PMID:9686972
Europe PMC
Reaxys:1209228
Reaxys
UM-BBD_compID:c0122
UM-BBD
FORMALDEHYDE
PDBeChem
Formaldehyde
KEGG_COMPOUND
formaldehyde
IUPAC
formaldehyde
UniProt
FORMALIN
ChEMBL
Formaldehyd
NIST_Chemistry_WebBook
Formalin
KEGG_COMPOUND
Methanal
KEGG_COMPOUND
Methylene oxide
KEGG_COMPOUND
Oxomethane
KEGG_COMPOUND
Oxomethylene
KEGG_COMPOUND
High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms.
CHEBI:13302
CHEBI:21123
CHEBI:33698
CHEBI:4291
CAS:9007-49-2
KEGG:C00039
Deoxyribonucleic acid
deoxyribonucleic acids
chebi_ontology
(Deoxyribonucleotide)m
(Deoxyribonucleotide)n
(Deoxyribonucleotide)n+m
DNA
DNAn
DNAn+1
DNS
Desoxyribonukleinsaeure
deoxyribonucleic acids
desoxyribose nucleic acid
thymus nucleic acid
CHEBI:16991
deoxyribonucleic acid
CAS:9007-49-2
ChemIDplus
CAS:9007-49-2
KEGG COMPOUND
Deoxyribonucleic acid
KEGG_COMPOUND
deoxyribonucleic acids
IUPAC
(Deoxyribonucleotide)m
KEGG_COMPOUND
(Deoxyribonucleotide)n
KEGG_COMPOUND
(Deoxyribonucleotide)n+m
KEGG_COMPOUND
DNA
IUPAC
DNA
KEGG_COMPOUND
DNA
UniProt
DNAn
KEGG_COMPOUND
DNAn+1
KEGG_COMPOUND
DNS
ChEBI
Desoxyribonukleinsaeure
ChEBI
deoxyribonucleic acids
ChEBI
desoxyribose nucleic acid
ChemIDplus
thymus nucleic acid
ChEBI
The D-enantiomer of phenylalanine.
0
C9H11NO2
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
COLNVLDHVKWLRT-MRVPVSSYSA-N
165.18918
165.07898
N[C@H](Cc1ccccc1)C(O)=O
CHEBI:13007
CHEBI:21067
CHEBI:42207
CHEBI:4224
Beilstein:2804068
CAS:673-06-3
DrugBank:DB02556
ECMDB:ECMDB20144
Gmelin:83219
KEGG:C02265
MetaCyc:CPD-216
PDBeChem:DPN
PMID:22382026
PMID:22397264
PMID:24464217
PMID:7114516
Reaxys:2804068
YMDB:YMDB00995
(2R)-2-amino-3-phenylpropanoic acid
D-PHENYLALANINE
D-Phenylalanine
D-phenylalanine
chebi_ontology
D-Phe
D-alpha-Amino-beta-phenylpropionic acid
DPN
phenylalanine D-form
CHEBI:16998
D-phenylalanine
Beilstein:2804068
Beilstein
CAS:673-06-3
ChemIDplus
CAS:673-06-3
KEGG COMPOUND
Gmelin:83219
Gmelin
PMID:22382026
Europe PMC
PMID:22397264
Europe PMC
PMID:24464217
Europe PMC
PMID:7114516
Europe PMC
Reaxys:2804068
Reaxys
(2R)-2-amino-3-phenylpropanoic acid
IUPAC
D-PHENYLALANINE
PDBeChem
D-Phenylalanine
KEGG_COMPOUND
D-phenylalanine
IUPAC
D-Phe
ChEBI
D-alpha-Amino-beta-phenylpropionic acid
KEGG_COMPOUND
DPN
PDBeChem
phenylalanine D-form
ChemIDplus
-1
F
InChI=1S/FH/h1H/p-1
KRHYYFGTRYWZRS-UHFFFAOYSA-M
18.99840
18.99895
[F-]
CHEBI:14271
CHEBI:49593
CHEBI:5113
CAS:16984-48-8
Gmelin:14905
KEGG:C00742
PDBeChem:F
Fluoride
fluoride
fluoride(1-)
chebi_ontology
F(-)
F-
FLUORIDE ION
Fluoride ion
Fluorine anion
CHEBI:17051
fluoride
CAS:16984-48-8
ChemIDplus
CAS:16984-48-8
NIST Chemistry WebBook
Gmelin:14905
Gmelin
Fluoride
KEGG_COMPOUND
fluoride
IUPAC
fluoride
UniProt
fluoride(1-)
IUPAC
F(-)
IUPAC
F-
KEGG_COMPOUND
FLUORIDE ION
PDBeChem
Fluoride ion
KEGG_COMPOUND
Fluorine anion
NIST_Chemistry_WebBook
A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
0
COR2
28.010
27.99491
[*]C([*])=O
CHEBI:13427
CHEBI:13646
CHEBI:24974
CHEBI:6127
CHEBI:8742
KEGG:C01450
Wikipedia:Ketone
Ketone
ketones
chebi_ontology
Keton
R-CO-R'
a ketone
cetone
ketones
CHEBI:17087
ketone
Ketone
KEGG_COMPOUND
ketones
IUPAC
Keton
ChEBI
R-CO-R'
KEGG_COMPOUND
a ketone
UniProt
cetone
ChEBI
ketones
ChEBI
A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2).
CHEBI:14827
CHEBI:26076
CHEBI:8162
chebi_ontology
phosphamide
phosphamides
phosphoramides
CHEBI:17102
phosphoramide
phosphamide
ChEBI
phosphamides
ChEBI
phosphoramides
ChEBI
-1
HO3S
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
LSNNMFCWUKXFEE-UHFFFAOYSA-M
81.07214
80.96519
OS([O-])=O
CHEBI:13367
CHEBI:5598
CAS:15181-46-1
Gmelin:1455
KEGG:C11481
PDBeChem:SO3
hydrogen(trioxidosulfate)(1-)
hydrogensulfite(1-)
hydrogentrioxosulfate(1-)
hydrogentrioxosulfate(IV)
hydroxidodioxidosulfate(1-)
monohydrogentrioxosulfate
chebi_ontology
Bisulfite
HSO3(-)
HSO3-
Hydrogen sulfite
[SO2(OH)](-)
bisulfite
bisulphite
hydrogen sulfite(1-)
hydrosulfite anion
CHEBI:17137
hydrogensulfite
CAS:15181-46-1
ChemIDplus
CAS:15181-46-1
KEGG COMPOUND
Gmelin:1455
Gmelin
hydrogen(trioxidosulfate)(1-)
IUPAC
hydrogensulfite(1-)
IUPAC
hydrogentrioxosulfate(1-)
IUPAC
hydrogentrioxosulfate(IV)
IUPAC
hydroxidodioxidosulfate(1-)
IUPAC
monohydrogentrioxosulfate
IUPAC
Bisulfite
KEGG_COMPOUND
HSO3(-)
IUPAC
HSO3-
KEGG_COMPOUND
Hydrogen sulfite
KEGG_COMPOUND
[SO2(OH)](-)
IUPAC
bisulfite
ChemIDplus
bisulphite
ChemIDplus
hydrogen sulfite(1-)
ChemIDplus
hydrosulfite anion
ChemIDplus
A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics.
PMID:28650840
PMID:29536623
PMID:30471335
PMID:31518935
PMID:32172156
Wikipedia:Glycol_ethers
chebi_ontology
glycol ethers
CHEBI:172390
glycol ether
PMID:28650840
Europe PMC
PMID:29536623
Europe PMC
PMID:30471335
Europe PMC
PMID:31518935
Europe PMC
PMID:32172156
Europe PMC
glycol ethers
ChEBI
The 7H-tautomer of purine.
0
C5H4N4
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
KDCGOANMDULRCW-UHFFFAOYSA-N
120.11222
120.04360
c1ncc2[nH]cnc2n1
CHEBI:14968
CHEBI:8639
Beilstein:3200
Gmelin:601779
HMDB:HMDB0001366
KEGG:C15587
Reaxys:3200
7H-purine
chebi_ontology
Purine
Purine base
CHEBI:17258
7H-purine
Beilstein:3200
Beilstein
Gmelin:601779
Gmelin
Reaxys:3200
Reaxys
7H-purine
IUPAC
Purine
KEGG_COMPOUND
Purine base
KEGG_COMPOUND
The L-enantiomer of phenylalanine.
0
C9H11NO2
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
COLNVLDHVKWLRT-QMMMGPOBSA-N
165.18918
165.07898
N[C@@H](Cc1ccccc1)C(O)=O
CHEBI:13151
CHEBI:21370
CHEBI:44851
CHEBI:44885
CHEBI:45079
CHEBI:6282
Beilstein:1910408
CAS:63-91-2
DrugBank:DB00120
Drug_Central:2144
ECMDB:ECMDB00159
Gmelin:50837
HMDB:HMDB0000159
KEGG:C00079
KEGG:D00021
KNApSAcK:C00001386
MetaCyc:PHE
PDBeChem:PHE
PMID:13945318
PMID:16893175
PMID:17784858
PMID:21203787
PMID:21956539
PMID:22081386
PMID:22112574
PMID:22143120
PMID:22209218
PMID:22494897
PMID:23836015
PMID:24464217
PMID:24733517
PMID:24966042
Reaxys:1910408
Wikipedia:Phenylalanine
YMDB:YMDB00304
(2S)-2-amino-3-phenylpropanoic acid
L-Phenylalanine
L-phenylalanine
chebi_ontology
(S)-2-Amino-3-phenylpropionic acid
(S)-alpha-Amino-beta-phenylpropionic acid
3-phenyl-L-alanine
F
PHENYLALANINE
Phe
beta-phenyl-L-alanine
CHEBI:17295
L-phenylalanine
Beilstein:1910408
Beilstein
CAS:63-91-2
ChemIDplus
CAS:63-91-2
KEGG COMPOUND
CAS:63-91-2
NIST Chemistry WebBook
Drug_Central:2144
DrugCentral
Gmelin:50837
Gmelin
PMID:13945318
Europe PMC
PMID:16893175
Europe PMC
PMID:17784858
Europe PMC
PMID:21203787
Europe PMC
PMID:21956539
Europe PMC
PMID:22081386
Europe PMC
PMID:22112574
Europe PMC
PMID:22143120
Europe PMC
PMID:22209218
Europe PMC
PMID:22494897
Europe PMC
PMID:23836015
Europe PMC
PMID:24464217
Europe PMC
PMID:24733517
Europe PMC
PMID:24966042
Europe PMC
Reaxys:1910408
Reaxys
(2S)-2-amino-3-phenylpropanoic acid
IUPAC
L-Phenylalanine
KEGG_COMPOUND
L-phenylalanine
IUPAC
(S)-2-Amino-3-phenylpropionic acid
HMDB
(S)-alpha-Amino-beta-phenylpropionic acid
KEGG_COMPOUND
3-phenyl-L-alanine
NIST_Chemistry_WebBook
F
ChEBI
PHENYLALANINE
PDBeChem
Phe
ChEBI
beta-phenyl-L-alanine
NIST_Chemistry_WebBook
Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
PMID:31899616
PMID:32015325
PMID:33167414
PMID:34012798
Wikipedia:Ferroptosis
chebi_ontology
ferroptosis inducers
CHEBI:173085
ferroptosis inducer
PMID:31899616
Europe PMC
PMID:32015325
SUBMITTER
PMID:33167414
Europe PMC
PMID:34012798
Europe PMC
ferroptosis inducers
ChEBI
A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).
-2
O3S
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
LSNNMFCWUKXFEE-UHFFFAOYSA-L
80.06420
79.95791
[O-]S([O-])=O
CHEBI:15139
CHEBI:45548
CAS:14265-45-3
Gmelin:1449
PDBeChem:SO3
sulfite
trioxidosulfate(2-)
trioxosulfate(2-)
trioxosulfate(IV)
chebi_ontology
SO3
SO3(2-)
SULFITE ION
[SO3](2-)
sulphite
CHEBI:17359
sulfite
CAS:14265-45-3
ChemIDplus
Gmelin:1449
Gmelin
sulfite
IUPAC
sulfite
UniProt
trioxidosulfate(2-)
IUPAC
trioxosulfate(2-)
IUPAC
trioxosulfate(IV)
IUPAC
SO3
ChEBI
SO3(2-)
IUPAC
SULFITE ION
PDBeChem
[SO3](2-)
IUPAC
sulphite
ChEBI
A straight-chain saturated fatty acid containing five carbon atoms.
0
C5H10O2
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
102.13170
102.06808
CCCCC(O)=O
CHEBI:113448
CHEBI:27263
CHEBI:27264
CHEBI:43606
CHEBI:44803
CHEBI:7980
Beilstein:969454
CAS:109-52-4
DrugBank:DB02406
Gmelin:26714
HMDB:HMDB0000892
KEGG:C00803
KNApSAcK:C00001208
LIPID_MAPS_instance:LMFA01010005
PDBeChem:LEA
PMID:20507156
PPDB:3130
Reaxys:969454
Wikipedia:Valeric_acid
Valeric acid
pentanoic acid
chebi_ontology
1-butanecarboxylic acid
CH3-[CH2]3-COOH
PENTANOIC ACID
Pentanoate
Pentanoic acid
Valerate
Valerianic acid
Valeriansaeure
n-BuCOOH
n-Pentanoate
n-Valeric acid
n-pentanoic acid
n-valeric acid
pentoic acid
propylacetic acid
valeric acid, normal
CHEBI:17418
valeric acid
Beilstein:969454
Beilstein
CAS:109-52-4
ChemIDplus
CAS:109-52-4
KEGG COMPOUND
CAS:109-52-4
NIST Chemistry WebBook
Gmelin:26714
Gmelin
LIPID_MAPS_instance:LMFA01010005
LIPID MAPS
PMID:20507156
Europe PMC
Reaxys:969454
Reaxys
Valeric acid
KEGG_COMPOUND
pentanoic acid
IUPAC
1-butanecarboxylic acid
ChemIDplus
1-butanecarboxylic acid
NIST_Chemistry_WebBook
CH3-[CH2]3-COOH
IUPAC
PENTANOIC ACID
PDBeChem
Pentanoate
KEGG_COMPOUND
Pentanoic acid
KEGG_COMPOUND
Valerate
KEGG_COMPOUND
Valerianic acid
KEGG_COMPOUND
Valeriansaeure
ChEBI
n-BuCOOH
ChEBI
n-Pentanoate
KEGG_COMPOUND
n-Valeric acid
KEGG_COMPOUND
n-pentanoic acid
ChemIDplus
n-valeric acid
ChemIDplus
pentoic acid
ChEBI
propylacetic acid
ChemIDplus
valeric acid, normal
ChemIDplus
A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.
0
CHOR
29.01800
29.00274
[H]C([*])=O
CHEBI:13432
CHEBI:13753
CHEBI:13805
CHEBI:13806
CHEBI:22291
CHEBI:2554
CHEBI:8750
KEGG:C00071
Aldehyde
aldehyde
aldehydes
chebi_ontology
Aldehyd
RC(=O)H
RCHO
aldehido
aldehidos
aldehydes
aldehydum
an aldehyde
CHEBI:17478
aldehyde
Aldehyde
KEGG_COMPOUND
aldehyde
ChEBI
aldehyde
IUPAC
aldehydes
IUPAC
Aldehyd
ChEBI
RC(=O)H
IUPAC
RCHO
KEGG_COMPOUND
aldehido
ChEBI
aldehidos
ChEBI
aldehydes
ChEBI
aldehydum
ChEBI
an aldehyde
UniProt
The carbon oxoanion resulting from the removal of a proton from carbonic acid.
-1
CHO3
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
BVKZGUZCCUSVTD-UHFFFAOYSA-M
61.01684
60.99312
OC([O-])=O
CHEBI:13363
CHEBI:22863
CHEBI:40961
CHEBI:5589
Beilstein:3903504
CAS:71-52-3
Gmelin:49249
HMDB:HMDB0000595
KEGG:C00288
MetaCyc:HCO3
PDBeChem:BCT
PMID:17215880
PMID:17505962
PMID:18439416
PMID:28732801
PMID:29150416
PMID:29460248
PMID:29466234
PMID:4208463
Wikipedia:Bicarbonate
Hydrogencarbonate
hydrogen(trioxidocarbonate)(1-)
hydrogencarbonate
hydrogencarbonate(1-)
hydrogentrioxocarbonate(1-)
hydrogentrioxocarbonate(IV)
hydroxidodioxidocarbonate(1-)
chebi_ontology
Acid carbonate
BICARBONATE ION
Bicarbonate
HCO3(-)
HCO3-
[CO2(OH)](-)
hydrogen carbonate
CHEBI:17544
hydrogencarbonate
PMID:29150416
Europe PMC
PMID:29460248
Europe PMC
PMID:29466234
Europe PMC
PMID:4208463
Europe PMC
Hydrogencarbonate
KEGG_COMPOUND
hydrogen(trioxidocarbonate)(1-)
IUPAC
hydrogencarbonate
IUPAC
hydrogencarbonate
UniProt
hydrogencarbonate(1-)
IUPAC
hydrogentrioxocarbonate(1-)
IUPAC
hydrogentrioxocarbonate(IV)
IUPAC
hydroxidodioxidocarbonate(1-)
IUPAC
Acid carbonate
KEGG_COMPOUND
BICARBONATE ION
PDBeChem
Bicarbonate
KEGG_COMPOUND
HCO3(-)
IUPAC
HCO3-
KEGG_COMPOUND
[CO2(OH)](-)
IUPAC
hydrogen carbonate
PDBeChem
Beilstein:3903504
Beilstein
CAS:71-52-3
ChemIDplus
Gmelin:49249
Gmelin
PMID:17215880
Europe PMC
PMID:17505962
Europe PMC
PMID:18439416
Europe PMC
PMID:28732801
Europe PMC
A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription.
0
C4H4N2O2
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
ISAKRJDGNUQOIC-UHFFFAOYSA-N
112.08684
112.02728
O=c1cc[nH]c(=O)[nH]1
CHEBI:15288
CHEBI:27210
CHEBI:46375
CHEBI:9882
Beilstein:606623
CAS:66-22-8
DrugBank:DB03419
Gmelin:2896
HMDB:HMDB0000300
KEGG:C00106
KEGG:D00027
KNApSAcK:C00001513
MetaCyc:URACIL
PDBeChem:URA
PMID:11279060
PMID:12855717
PMID:15274295
PMID:16834123
PMID:17439666
PMID:18533995
PMID:18815805
PMID:19175333
PMID:22020693
PMID:22074393
PMID:22120518
PMID:22171528
PMID:22237209
PMID:22299724
PMID:22356544
PMID:22447672
PMID:22483865
PMID:22567906
PMID:22685418
PMID:3654008
Reaxys:606623
Wikipedia:Uracil
URACIL
Uracil
pyrimidine-2,4(1H,3H)-dione
uracil
chebi_ontology
2,4(1H,3H)-pyrimidinedione
2,4-Dioxopyrimidine
2,4-Pyrimidinedione
U
Ura
Urazil
CHEBI:17568
uracil
Beilstein:606623
Beilstein
CAS:66-22-8
ChemIDplus
CAS:66-22-8
KEGG COMPOUND
CAS:66-22-8
NIST Chemistry WebBook
Gmelin:2896
Gmelin
PMID:11279060
Europe PMC
PMID:12855717
Europe PMC
PMID:15274295
Europe PMC
PMID:16834123
Europe PMC
PMID:17439666
Europe PMC
PMID:18533995
Europe PMC
PMID:18815805
Europe PMC
PMID:19175333
Europe PMC
PMID:22020693
Europe PMC
PMID:22074393
Europe PMC
PMID:22120518
Europe PMC
PMID:22171528
Europe PMC
PMID:22237209
Europe PMC
PMID:22299724
Europe PMC
PMID:22356544
Europe PMC
PMID:22447672
Europe PMC
PMID:22483865
Europe PMC
PMID:22567906
Europe PMC
PMID:22685418
Europe PMC
PMID:3654008
Europe PMC
Reaxys:606623
Reaxys
URACIL
PDBeChem
Uracil
KEGG_COMPOUND
pyrimidine-2,4(1H,3H)-dione
IUPAC
uracil
UniProt
2,4(1H,3H)-pyrimidinedione
NIST_Chemistry_WebBook
2,4-Dioxopyrimidine
HMDB
2,4-Pyrimidinedione
HMDB
U
ChEBI
Ura
CBN
Urazil
ChEBI
The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
0
C7H8
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
YXFVVABEGXRONW-UHFFFAOYSA-N
92.13842
92.06260
Cc1ccccc1
CHEBI:15248
CHEBI:27022
CHEBI:44023
CHEBI:9624
Beilstein:635760
CAS:108-88-3
DrugBank:DB01900
Gmelin:2456
KEGG:C01455
PDBeChem:MBN
PMID:11182169
PMID:11314682
PMID:11846266
PMID:11991009
PMID:12062755
PMID:12213539
PMID:12237258
PMID:12784113
PMID:12876426
PMID:14512097
PMID:14559343
PMID:14605898
PMID:15015825
PMID:15019953
PMID:15119846
PMID:15193425
PMID:15542760
PMID:15567510
PMID:15695158
PMID:15796064
PMID:16316648
PMID:16348226
PMID:16601996
PMID:17145141
PMID:17175136
PMID:17497535
PMID:17725881
PMID:18397809
PMID:18832024
PMID:19261054
PMID:19384711
PMID:19429395
PMID:19635754
PMID:19765629
PMID:19825861
PMID:19928203
PMID:19969016
PMID:20347282
PMID:20837561
PMID:21430649
PMID:21655021
PMID:21731073
PMID:21802510
PMID:21840036
Reaxys:635760
UM-BBD_compID:c0114
Wikipedia:Toluene
TOLUENE
Toluene
toluene
chebi_ontology
Toluen
Toluol
methylbenzene
phenylmethane
CHEBI:17578
toluene
Beilstein:635760
Beilstein
CAS:108-88-3
ChemIDplus
CAS:108-88-3
KEGG COMPOUND
CAS:108-88-3
NIST Chemistry WebBook
Gmelin:2456
Gmelin
PMID:11182169
Europe PMC
PMID:11314682
Europe PMC
PMID:11846266
Europe PMC
PMID:11991009
Europe PMC
PMID:12062755
Europe PMC
PMID:12213539
Europe PMC
PMID:12237258
Europe PMC
PMID:12784113
Europe PMC
PMID:12876426
Europe PMC
PMID:14512097
Europe PMC
PMID:14559343
Europe PMC
PMID:14605898
Europe PMC
PMID:15015825
Europe PMC
PMID:15019953
Europe PMC
PMID:15119846
Europe PMC
PMID:15193425
Europe PMC
PMID:15542760
Europe PMC
PMID:15567510
Europe PMC
PMID:15695158
Europe PMC
PMID:15796064
Europe PMC
PMID:16316648
Europe PMC
PMID:16348226
Europe PMC
PMID:16601996
Europe PMC
PMID:17145141
Europe PMC
PMID:17175136
Europe PMC
PMID:17497535
Europe PMC
PMID:17725881
Europe PMC
PMID:18397809
Europe PMC
PMID:18832024
Europe PMC
PMID:19261054
Europe PMC
PMID:19384711
Europe PMC
PMID:19429395
Europe PMC
PMID:19635754
Europe PMC
PMID:19765629
Europe PMC
PMID:19825861
Europe PMC
PMID:19928203
Europe PMC
PMID:19969016
Europe PMC
PMID:20347282
Europe PMC
PMID:20837561
Europe PMC
PMID:21430649
Europe PMC
PMID:21655021
Europe PMC
PMID:21731073
Europe PMC
PMID:21802510
Europe PMC
PMID:21840036
Europe PMC
Reaxys:635760
Reaxys
UM-BBD_compID:c0114
UM-BBD
TOLUENE
PDBeChem
Toluene
KEGG_COMPOUND
toluene
ChEBI
toluene
IUPAC
toluene
UniProt
Toluen
NIST_Chemistry_WebBook
Toluol
NIST_Chemistry_WebBook
methylbenzene
PDBeChem
phenylmethane
ChemIDplus
A straight chain alkane composed of 8 carbon atoms.
0
C8H18
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
TVMXDCGIABBOFY-UHFFFAOYSA-N
114.22852
114.14085
CCCCCCCC
CHEBI:14680
CHEBI:25465
CHEBI:25645
CHEBI:44621
CHEBI:7723
Beilstein:1696875
CAS:111-65-9
DrugBank:DB02440
Gmelin:82412
HMDB:HMDB0001485
KEGG:C01387
LIPID_MAPS_instance:LMFA11000002
MetaCyc:CPD-148
PDBeChem:OCT
PMID:11255151
PMID:24354334
Reaxys:1696875
UM-BBD_compID:c0044
Wikipedia:Octane
Octane
octane
chebi_ontology
CH3-[CH2]6-CH3
N-OCTANE
Oktan
n-Octane
n-Oktan
CHEBI:17590
octane
Beilstein:1696875
Beilstein
CAS:111-65-9
ChemIDplus
CAS:111-65-9
KEGG COMPOUND
CAS:111-65-9
NIST Chemistry WebBook
Gmelin:82412
Gmelin
LIPID_MAPS_instance:LMFA11000002
LIPID MAPS
PMID:11255151
Europe PMC
PMID:24354334
Europe PMC
Reaxys:1696875
Reaxys
UM-BBD_compID:c0044
UM-BBD
Octane
KEGG_COMPOUND
octane
IUPAC
octane
UniProt
CH3-[CH2]6-CH3
IUPAC
N-OCTANE
PDBeChem
Oktan
NIST_Chemistry_WebBook
n-Octane
KEGG_COMPOUND
n-Oktan
ChEBI
A benzenediol comprising benzene core carrying two hydroxy substituents para to each other.
0
C6H6O2
InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
110.11064
110.03678
Oc1ccc(O)cc1
CHEBI:14416
CHEBI:24645
CHEBI:5793
Beilstein:605970
CAS:123-31-9
Drug_Central:3282
Gmelin:2742
HMDB:HMDB0002434
KEGG:C00530
KEGG:C15603
KEGG:D00073
KNApSAcK:C00002656
MetaCyc:HYDROQUINONE
PMID:11170505
PMID:12213471
PMID:1395635
PMID:15618234
PMID:15894107
PMID:1899343
PMID:19148301
PMID:24407054
PMID:24858384
PMID:25586344
PPDB:1503
Reaxys:605970
UM-BBD_compID:c0091
Wikipedia:Hydroquinone
Hydroquinone
benzene-1,4-diol
hydroquinone
chebi_ontology
1,4-Benzenediol
1,4-Dihydroxybenzene
4-Hydroxyphenol
Benzene-1,4-diol
Eldoquin
Quinol
p-Benzenediol
p-Hydroquinone
p-hydroxyphenol
CHEBI:17594
hydroquinone
Beilstein:605970
Beilstein
CAS:123-31-9
ChemIDplus
CAS:123-31-9
KEGG COMPOUND
CAS:123-31-9
NIST Chemistry WebBook
Drug_Central:3282
DrugCentral
Gmelin:2742
Gmelin
PMID:11170505
Europe PMC
PMID:12213471
Europe PMC
PMID:1395635
Europe PMC
PMID:15618234
Europe PMC
PMID:15894107
Europe PMC
PMID:1899343
Europe PMC
PMID:19148301
Europe PMC
PMID:24407054
Europe PMC
PMID:24858384
Europe PMC
PMID:25586344
Europe PMC
Reaxys:605970
Reaxys
UM-BBD_compID:c0091
UM-BBD
Hydroquinone
KEGG_COMPOUND
benzene-1,4-diol
IUPAC
hydroquinone
UniProt
1,4-Benzenediol
KEGG_COMPOUND
1,4-Dihydroxybenzene
KEGG_COMPOUND
4-Hydroxyphenol
KEGG_COMPOUND
Benzene-1,4-diol
KEGG_COMPOUND
Eldoquin
ChemIDplus
Quinol
KEGG_COMPOUND
p-Benzenediol
KEGG_COMPOUND
p-Hydroquinone
KEGG_COMPOUND
p-hydroxyphenol
NIST_Chemistry_WebBook
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
PMID:23372317
PMID:28580190
PMID:30885572
PMID:33144142
PMID:33973253
PMID:34606237
Wikipedia:Geroprotector
chebi_ontology
anti-aging agent
anti-aging agents
anti-aging drug
anti-aging drugs
geroprotective agent
geroprotective agents
geroprotectors
CHEBI:176497
geroprotector
PMID:23372317
Europe PMC
PMID:28580190
Europe PMC
PMID:30885572
Europe PMC
PMID:33144142
Europe PMC
PMID:33973253
Europe PMC
PMID:34606237
Europe PMC
anti-aging agent
ChEBI
anti-aging agents
ChEBI
anti-aging drug
ChEBI
anti-aging drugs
ChEBI
geroprotective agent
ChEBI
geroprotective agents
ChEBI
geroprotectors
ChEBI
Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.
vitamin B9
chebi_ontology
folate vitamer
folate vitamers
vitamin B-9
vitamin B9 vitamer
vitamin B9 vitamers
vitamins B9
CHEBI:176842
vitamin B9
vitamin B9
ChEBI
folate vitamer
ChEBI
folate vitamers
ChEBI
vitamin B-9
ChEBI
vitamin B9 vitamer
ChEBI
vitamin B9 vitamers
ChEBI
vitamins B9
ChEBI
0
C6H6O2
110.111
110.03678
CHEBI:13878
CHEBI:3027
CAS:12385-08-9
KEGG:C01785
Benzenediol
benzenediol
chebi_ontology
dihydroxybenzene
CHEBI:17701
benzenediol
CAS:12385-08-9
ChemIDplus
CAS:12385-08-9
KEGG COMPOUND
Benzenediol
KEGG_COMPOUND
benzenediol
IUPAC
dihydroxybenzene
ChEBI
A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase.
0
C10H14N2O5
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
IQFYYKKMVGJFEH-XLPZGREQSA-N
242.22860
242.09027
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
CHEBI:15244
CHEBI:19273
CHEBI:45782
CHEBI:45834
CHEBI:45917
CHEBI:9579
Beilstein:89285
CAS:50-89-5
DrugBank:DB04485
Gmelin:282610
HMDB:HMDB0000273
KEGG:C00214
KNApSAcK:C00019698
MetaCyc:THYMIDINE
PDBeChem:THM
PMID:22770225
PMID:2559771
Reaxys:89285
Wikipedia:Thymidine
THYMIDINE
Thymidine
thymidine
chebi_ontology
1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
2'-deoxy-5-methyluridine
2'-deoxythymidine
2'-thymidine
5-methyl-2'-deoxyuridine
Deoxythymidine
T
dThd
thymine 2'-deoxyriboside
CHEBI:17748
thymidine
Beilstein:89285
Beilstein
CAS:50-89-5
ChemIDplus
CAS:50-89-5
KEGG COMPOUND
Gmelin:282610
Gmelin
PMID:22770225
Europe PMC
PMID:2559771
Europe PMC
Reaxys:89285
Reaxys
THYMIDINE
PDBeChem
Thymidine
KEGG_COMPOUND
thymidine
IUPAC
thymidine
UniProt
1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
ChEBI
2'-deoxy-5-methyluridine
ChemIDplus
2'-deoxythymidine
ChemIDplus
2'-thymidine
ChEBI
5-methyl-2'-deoxyuridine
ChemIDplus
Deoxythymidine
KEGG_COMPOUND
T
ChEBI
dThd
CBN
thymine 2'-deoxyriboside
ChEBI
A compound containing at least one carbon-halogen bond (where X is a halogen atom).
0
RX
**
CHEBI:13444
CHEBI:36684
CHEBI:8767
KEGG:C01322
MetaCyc:Organohalogen-Compounds
chebi_ontology
RX
organic halide
organic halides
organohalogen compounds
CHEBI:17792
organohalogen compound
RX
KEGG_COMPOUND
RX
UniProt
organic halide
KEGG_COMPOUND
organic halides
ChEBI
organohalogen compounds
ChEBI
A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.
0
C5H6N2O2
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
RWQNBRDOKXIBIV-UHFFFAOYSA-N
126.11342
126.04293
Cc1c[nH]c(=O)[nH]c1=O
CHEBI:15247
CHEBI:27004
CHEBI:46017
CHEBI:9580
Beilstein:607626
CAS:65-71-4
DrugBank:DB03462
Gmelin:278790
KEGG:C00178
KNApSAcK:C00001511
PDBeChem:TDR
PMID:23237383
Wikipedia:Thymine
THYMINE
Thymine
thymine
chebi_ontology
2,4-dihydroxy-5-methylpyrimidine
5-Methyluracil
5-methyl-2,4(1H,3H)-pyrimidinedione
5-methylpyrimidine-2,4(1H,3H)-dione
5-methyluracil
T
Thy
Thymin
CHEBI:17821
thymine
Beilstein:607626
Beilstein
CAS:65-71-4
ChemIDplus
CAS:65-71-4
KEGG COMPOUND
CAS:65-71-4
NIST Chemistry WebBook
Gmelin:278790
Gmelin
PMID:23237383
Europe PMC
THYMINE
PDBeChem
Thymine
KEGG_COMPOUND
thymine
IUPAC
thymine
UniProt
2,4-dihydroxy-5-methylpyrimidine
NIST_Chemistry_WebBook
5-Methyluracil
KEGG_COMPOUND
5-methyl-2,4(1H,3H)-pyrimidinedione
NIST_Chemistry_WebBook
5-methylpyrimidine-2,4(1H,3H)-dione
IUPAC
5-methyluracil
NIST_Chemistry_WebBook
T
ChEBI
Thy
CBN
Thymin
ChemIDplus
A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.
0
ClH
HCl
InChI=1S/ClH/h1H
VEXZGXHMUGYJMC-UHFFFAOYSA-N
36.46064
35.97668
Cl[H]
CHEBI:13364
CHEBI:24635
CHEBI:5590
CAS:7647-01-0
Drug_Central:4568
Gmelin:322
HMDB:HMDB0002306
KEGG:C01327
KEGG:D02057
MetaCyc:HCL
PMID:15823700
PMID:17492841
PMID:22804993
Reaxys:1098214
Wikipedia:HCl
Wikipedia:Hydrochloric_acid
Hydrogen chloride
chlorane
chloridohydrogen
hydrogen chloride
chebi_ontology
Chlorwasserstoff
HCl
Hydrochloride
Hydrogenchlorid
Wasserstoffchlorid
[HCl]
chlorure d'hydrogene
cloruro de hidrogeno
hydrochloric acid
CHEBI:17883
hydrogen chloride
CAS:7647-01-0
ChemIDplus
CAS:7647-01-0
KEGG COMPOUND
CAS:7647-01-0
NIST Chemistry WebBook
Drug_Central:4568
DrugCentral
Gmelin:322
Gmelin
PMID:15823700
Europe PMC
PMID:17492841
Europe PMC
PMID:22804993
Europe PMC
Reaxys:1098214
Reaxys
Hydrogen chloride
KEGG_COMPOUND
chlorane
IUPAC
chloridohydrogen
IUPAC
hydrogen chloride
IUPAC
Chlorwasserstoff
ChEBI
HCl
KEGG_COMPOUND
Hydrochloride
KEGG_COMPOUND
Hydrogenchlorid
ChEBI
Wasserstoffchlorid
ChEBI
[HCl]
IUPAC
chlorure d'hydrogene
ChEBI
cloruro de hidrogeno
ChEBI
hydrochloric acid
ChemIDplus
A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity.
CHEBI:14202
CHEBI:4697
KEGG:C01351
Donor
chebi_ontology
Donator
donneur
CHEBI:17891
donor
Donor
KEGG_COMPOUND
Donator
ChEBI
donneur
ChEBI
A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages.
0
C3H7NO2
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
JOYRKODLDBILNP-UHFFFAOYSA-N
89.09322
89.04768
CCOC(N)=O
CHEBI:15295
CHEBI:27225
CHEBI:9892
CAS:51-79-6
DrugBank:DB04827
HMDB:HMDB0031219
KEGG:C01537
LINCS:LSM-37020
PMID:15790490
PMID:24386880
Reaxys:635810
Wikipedia:Ethyl_carbamate
Urethane
ethyl carbamate
urethane
chebi_ontology
Ethyl carbamate
carbamic acid ethyl ester
CHEBI:17967
urethane
CAS:51-79-6
KEGG COMPOUND
PMID:15790490
Europe PMC
PMID:24386880
Europe PMC
Reaxys:635810
Reaxys
Urethane
KEGG_COMPOUND
ethyl carbamate
IUPAC
urethane
UniProt
Ethyl carbamate
KEGG_COMPOUND
carbamic acid ethyl ester
ChEBI
A halide anion formed when chlorine picks up an electron to form an an anion.
-1
Cl
InChI=1S/ClH/h1H/p-1
VEXZGXHMUGYJMC-UHFFFAOYSA-M
35.45270
34.96940
[Cl-]
CHEBI:13291
CHEBI:13970
CHEBI:3616
CHEBI:3731
CHEBI:48804
Beilstein:3587171
CAS:16887-00-6
Gmelin:14910
KEGG:C00115
KEGG:C00698
PDBeChem:CL
UM-BBD_compID:c0884
Chloride
chloride
chloride(1-)
chebi_ontology
CHLORIDE ION
Chloride ion
Chloride(1-)
Chlorine anion
Cl(-)
Cl-
CHEBI:17996
chloride
Beilstein:3587171
Beilstein
CAS:16887-00-6
ChemIDplus
CAS:16887-00-6
KEGG COMPOUND
CAS:16887-00-6
NIST Chemistry WebBook
Gmelin:14910
Gmelin
UM-BBD_compID:c0884
UM-BBD
Chloride
KEGG_COMPOUND
chloride
IUPAC
chloride
UniProt
chloride(1-)
IUPAC
CHLORIDE ION
PDBeChem
Chloride ion
KEGG_COMPOUND
Chloride(1-)
ChemIDplus
Chlorine anion
NIST_Chemistry_WebBook
Cl(-)
IUPAC
Cl-
KEGG_COMPOUND
'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids.
CHEBI:14517
CHEBI:25054
CHEBI:6486
KEGG:C01356
Lipid
lipids
chebi_ontology
CHEBI:18059
lipid
Lipid
KEGG_COMPOUND
lipids
IUPAC
0
HX
1.008
1.00783
[F,Cl,Br,I]
CHEBI:13368
CHEBI:37140
CHEBI:5599
hydrogen halide
hydrogen halides
chebi_ontology
HX
hydrogen halides
CHEBI:18140
hydrogen halide
hydrogen halide
IUPAC
hydrogen halides
IUPAC
HX
UniProt
hydrogen halides
ChEBI
An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.
0
C5H9NO4
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
WHUUTDBJXJRKMK-UHFFFAOYSA-N
147.12930
147.05316
NC(CCC(O)=O)C(O)=O
CHEBI:24314
CHEBI:5431
Beilstein:1723799
CAS:617-65-2
Gmelin:101971
KEGG:C00302
KEGG:D04341
KNApSAcK:C00001358
KNApSAcK:C00019577
PMID:15739367
PMID:17190852
PMID:24616376
PMID:24984001
Reaxys:1723799
Wikipedia:Glutamic_acid
2-aminopentanedioic acid
Glutamic acid
glutamic acid
chebi_ontology
2-Aminoglutaric acid
DL-Glutamic acid
DL-Glutaminic acid
E
Glu
Glutamate
Glutaminic acid
Glutaminsaeure
CHEBI:18237
glutamic acid
Beilstein:1723799
Beilstein
CAS:617-65-2
ChemIDplus
CAS:617-65-2
KEGG COMPOUND
CAS:617-65-2
NIST Chemistry WebBook
Gmelin:101971
Gmelin
PMID:15739367
Europe PMC
PMID:17190852
Europe PMC
PMID:24616376
Europe PMC
PMID:24984001
Europe PMC
Reaxys:1723799
Reaxys
2-aminopentanedioic acid
IUPAC
Glutamic acid
KEGG_COMPOUND
glutamic acid
IUPAC
2-Aminoglutaric acid
KEGG_COMPOUND
DL-Glutamic acid
KEGG_DRUG
DL-Glutaminic acid
KEGG_COMPOUND
E
ChEBI
Glu
ChEBI
Glutamate
KEGG_COMPOUND
Glutaminic acid
KEGG_COMPOUND
Glutaminsaeure
ChEBI
Any nucleoside where the sugar component is D-ribose.
0
C5H9O4R
133.123
133.05008
OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O
CHEBI:13014
CHEBI:13015
CHEBI:13685
CHEBI:21085
CHEBI:26560
CHEBI:4240
CHEBI:8844
KEGG:C00911
Ribonucleoside
chebi_ontology
a ribonucleoside
ribonucleosides
CHEBI:18254
ribonucleoside
Ribonucleoside
KEGG_COMPOUND
a ribonucleoside
UniProt
ribonucleosides
ChEBI
0
C5H9O3R
117.123
117.05517
OC[C@H]1O[C@@H]([*])C[C@@H]1O
CHEBI:1083
CHEBI:11394
CHEBI:11567
CHEBI:11568
CHEBI:19259
CHEBI:19560
CHEBI:4421
KEGG:C02269
KEGG:C03216
chebi_ontology
2'-Deoxynucleoside
2'-deoxyribonucleosides
2-Deoxy-D-ribosyl-base
Deoxynucleoside
a 2'-deoxyribonucleoside
CHEBI:18274
2'-deoxyribonucleoside
2'-Deoxynucleoside
KEGG_COMPOUND
2'-deoxyribonucleosides
ChEBI
2-Deoxy-D-ribosyl-base
KEGG_COMPOUND
Deoxynucleoside
KEGG_COMPOUND
a 2'-deoxyribonucleoside
UniProt
That part of DNA or RNA that may be involved in pairing.
CHEBI:13873
CHEBI:25598
CHEBI:2995
KEGG:C00701
Wikipedia:Nucleobase
chebi_ontology
Base
nucleobases
CHEBI:18282
nucleobase
Base
KEGG_COMPOUND
nucleobases
ChEBI
An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
0
CH3R
15.035
15.02348
C[*]
CHEBI:13435
CHEBI:22317
CHEBI:2576
KEGG:C01371
Alkane
alkane
alkanes
chebi_ontology
Alkan
RH
alcane
alcanes
alcano
alcanos
an alkane
CHEBI:18310
alkane
Alkane
KEGG_COMPOUND
alkane
IUPAC
alkanes
IUPAC
Alkan
ChEBI
RH
KEGG_COMPOUND
alcane
IUPAC
alcanes
IUPAC
alcano
IUPAC
alcanos
IUPAC
an alkane
UniProt
A phosphate ion that is the conjugate base of hydrogenphosphate.
-3
O4P
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
NBIIXXVUZAFLBC-UHFFFAOYSA-K
94.97136
94.95507
[O-]P([O-])([O-])=O
CHEBI:14791
CHEBI:45024
CHEBI:7793
Beilstein:3903772
CAS:14265-44-2
Gmelin:1997
KEGG:C00009
PDBeChem:PO4
Reaxys:3903772
phosphate
tetraoxidophosphate(3-)
tetraoxophosphate(3-)
tetraoxophosphate(V)
chebi_ontology
Orthophosphate
PHOSPHATE ION
PO4(3-)
Phosphate
[PO4](3-)
CHEBI:18367
phosphate(3-)
Beilstein:3903772
Beilstein
CAS:14265-44-2
ChemIDplus
CAS:14265-44-2
KEGG COMPOUND
Gmelin:1997
Gmelin
PDBeChem:PO4
ChEBI
Reaxys:3903772
Reaxys
phosphate
IUPAC
tetraoxidophosphate(3-)
IUPAC
tetraoxophosphate(3-)
IUPAC
tetraoxophosphate(V)
IUPAC
Orthophosphate
KEGG_COMPOUND
PHOSPHATE ION
PDBeChem
PO4(3-)
IUPAC
Phosphate
KEGG_COMPOUND
[PO4](3-)
IUPAC
0
C10H9NO4S
InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
RXCMFQDTWCCLBL-UHFFFAOYSA-N
239.24880
239.02523
Nc1c(O)cc(c2ccccc12)S(O)(=O)=O
Beilstein:2697469
CAS:116-63-2
Gmelin:241697
4-amino-3-hydroxynaphthalene-1-sulfonic acid
chebi_ontology
1-amino-2-naphthol-4-sulfonic acid
1-amino-4-sulfo-2-naphthol
4-amino-3-hydroxynaphthalene-1-sulphonic acid
CHEBI:19024
4-amino-3-hydroxynaphthalene-1-sulfonic acid
Beilstein:2697469
Beilstein
CAS:116-63-2
ChemIDplus
CAS:116-63-2
NIST Chemistry WebBook
Gmelin:241697
Gmelin
4-amino-3-hydroxynaphthalene-1-sulfonic acid
IUPAC
1-amino-2-naphthol-4-sulfonic acid
ChemIDplus
1-amino-4-sulfo-2-naphthol
ChemIDplus
4-amino-3-hydroxynaphthalene-1-sulphonic acid
ChemIDplus
A haloalkane that is bromoethane substituted by chlorine at position 2.
0
C2H4BrCl
InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
IBYHHJPAARCAIE-UHFFFAOYSA-N
143.40986
141.91849
ClCCBr
Beilstein:605265
CAS:107-04-0
Gmelin:984479
PMID:6357525
PMID:8200089
Reaxys:605265
1-bromo-2-chloroethane
chebi_ontology
1,2-bromochloroethane
1,2-chlorobromoethane
2-bromo-1-chloroethane
2-bromoethyl chloride
2-chloroethyl bromide
beta-chloroethyl bromide
ethylene chlorobromide
CHEBI:19032
1-bromo-2-chloroethane
Beilstein:605265
Beilstein
CAS:107-04-0
ChemIDplus
CAS:107-04-0
NIST Chemistry WebBook
Gmelin:984479
Gmelin
PMID:6357525
Europe PMC
PMID:8200089
Europe PMC
Reaxys:605265
Reaxys
1-bromo-2-chloroethane
IUPAC
1,2-bromochloroethane
NIST_Chemistry_WebBook
1,2-chlorobromoethane
ChemIDplus
2-bromo-1-chloroethane
ChemIDplus
2-bromoethyl chloride
NIST_Chemistry_WebBook
2-chloroethyl bromide
NIST_Chemistry_WebBook
beta-chloroethyl bromide
NIST_Chemistry_WebBook
ethylene chlorobromide
ChemIDplus
chebi_ontology
pyrimidine 2'-deoxyribonucleosides
CHEBI:19255
pyrimidine 2'-deoxyribonucleoside
pyrimidine 2'-deoxyribonucleosides
ChEBI
A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups.
0
C10H10N2O2
InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2
RCWJMKCTHJPXJV-UHFFFAOYSA-N
190.19868
190.07423
O=C1C=C(N2CC2)C(=O)C=C1N1CC1
Beilstein:169182
CAS:526-62-5
PMID:10373575
PMID:10978162
PMID:11211879
PMID:13415397
PMID:17094478
PMID:1751490
PMID:8137269
PMID:8461296
PMID:9690517
Reaxys:169182
2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
chebi_ontology
2,5,-bis(ethyleneimine)-1,4-benzoquinone
2,5,-bisethylene-imine-1,4-benzoquinone
2,5-Bisaethyleniminobenzochinon-1,4
2,5-bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione
2,5-bis(1-aziridinyl)-p-benzoquinone
2,5-bis(1-aziridynyl)benzoquinone
2,5-bis(aziridino)-1,4-benzoquinone
2,5-bis(aziridino)benzoquinone
2,5-bis(ethyleneimino)-1,4-benzoquinone
2,5-bis-ethyleniminobenzoquinone
2,5-bisethyleneiminebenzoquinone
2,5-di(ethyleneimino)-1,4-benzoquinone
2,5-diaziridinyl-1,4-benzoquinone
3,6-diaziridinyl-1,4-benzoquinone
DZQ
TW 13
ethylenimine quinone
CHEBI:19363
2,5-bis(aziridin-1-yl)-1,4-benzoquinone
Beilstein:169182
Beilstein
CAS:526-62-5
ChemIDplus
PMID:10373575
Europe PMC
PMID:10978162
Europe PMC
PMID:11211879
Europe PMC
PMID:13415397
Europe PMC
PMID:17094478
Europe PMC
PMID:1751490
Europe PMC
PMID:8137269
Europe PMC
PMID:8461296
Europe PMC
PMID:9690517
Europe PMC
Reaxys:169182
Reaxys
2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
IUPAC
2,5,-bis(ethyleneimine)-1,4-benzoquinone
ChEBI
2,5,-bisethylene-imine-1,4-benzoquinone
ChEBI
2,5-Bisaethyleniminobenzochinon-1,4
ChEBI
2,5-bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione
ChemIDplus
2,5-bis(1-aziridinyl)-p-benzoquinone
ChemIDplus
2,5-bis(1-aziridynyl)benzoquinone
ChemIDplus
2,5-bis(aziridino)-1,4-benzoquinone
ChemIDplus
2,5-bis(aziridino)benzoquinone
ChemIDplus
2,5-bis(ethyleneimino)-1,4-benzoquinone
ChemIDplus
2,5-bis-ethyleniminobenzoquinone
ChemIDplus
2,5-bisethyleneiminebenzoquinone
ChemIDplus
2,5-di(ethyleneimino)-1,4-benzoquinone
ChemIDplus
2,5-diaziridinyl-1,4-benzoquinone
ChemIDplus
3,6-diaziridinyl-1,4-benzoquinone
ChEBI
DZQ
ChEBI
TW 13
ChemIDplus
ethylenimine quinone
ChemIDplus
-1
C15H17N4O5
InChI=1S/C15H17N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/q-1/t7-,13-,15+/m0/s1
TWSVZLVCDAGJHJ-QWPQFENESA-N
333.325
333.12044
C=12C(C(=C(C(C1N3[C@@]([C-]2COC(N)=O)([C@@]4([C@](C3)(N4)[H])[H])OC)=O)C)N)=O
PMID:17461583
chebi_ontology
mitomycin C
CHEBI:194095
mitomycin C(1-)
PMID:17461583
SUBMITTER
mitomycin C
UniProt
chebi_ontology
CHEBI:19508
2-chloroethyl methanesulfonate
chebi_ontology
CHEBI:19579
2-fluoroethyl methanesulfonate
A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.
0
C4H3BrN2O2
InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
LQLQRFGHAALLLE-UHFFFAOYSA-N
190.98300
189.93779
Brc1c[nH]c(=O)[nH]c1=O
Beilstein:127176
CAS:51-20-7
Gmelin:486432
PMID:14522043
PMID:28166217
PMID:28320905
PMID:3950402
5-bromopyrimidine-2,4(1H,3H)-dione
chebi_ontology
1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione
5-BU
5-BrU
5-bromo-2,4(1H,3H)-pyrimidinedione
bromouracil
CHEBI:20552
5-bromouracil
Beilstein:127176
Beilstein
CAS:51-20-7
ChemIDplus
CAS:51-20-7
NIST Chemistry WebBook
Gmelin:486432
Gmelin
PMID:14522043
Europe PMC
PMID:28166217
Europe PMC
PMID:28320905
Europe PMC
PMID:3950402
Europe PMC
5-bromopyrimidine-2,4(1H,3H)-dione
IUPAC
1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione
NIST_Chemistry_WebBook
5-BU
ChemIDplus
5-BrU
ChemIDplus
5-bromo-2,4(1H,3H)-pyrimidinedione
NIST_Chemistry_WebBook
bromouracil
ChemIDplus
A uridine having a bromo substituent at the 5-position.
0
C9H11BrN2O6
InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
AGFIRQJZCNVMCW-UAKXSSHOSA-N
323.09752
321.98005
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
Beilstein:33664
CAS:957-75-5
Gmelin:723432
PMID:3950402
5-bromouridine
chebi_ontology
1-beta-ribofuranosyl-5-bromo-uracil
5-bromo-1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
BrU
CHEBI:20553
5-bromouridine
Beilstein:33664
Beilstein
CAS:957-75-5
ChemIDplus
Gmelin:723432
Gmelin
PMID:3950402
Europe PMC
5-bromouridine
ChEBI
5-bromouridine
IUPAC
5-bromouridine
UniProt
1-beta-ribofuranosyl-5-bromo-uracil
ChemIDplus
5-bromo-1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
ChEBI
BrU
ChEBI
Any aminopurine having the amino substituent at the 2-position.
2-aminopurines
chebi_ontology
CHEBI:20702
2-aminopurines
2-aminopurines
ChEBI
A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively.
0
C20H15Br
InChI=1S/C20H15Br/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3
IBWBDNBSIFGSLW-UHFFFAOYSA-N
335.23710
334.03571
Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12
Beilstein:2056479
CAS:16238-56-5
PMID:10838135
PMID:3114533
PMID:8625451
Reaxys:2056479
7-(bromomethyl)-12-methyltetraphene
chebi_ontology
7-BrMe-12-MeBA
7-bromomethyl-12-methylbenz[a]anthracene
7-bromomethyl-12-methylbenzanthracene
CHEBI:20787
7-bromomethyl-12-methyltetraphene
Beilstein:2056479
Beilstein
CAS:16238-56-5
ChemIDplus
PMID:10838135
Europe PMC
PMID:3114533
Europe PMC
PMID:8625451
Europe PMC
Reaxys:2056479
Reaxys
7-(bromomethyl)-12-methyltetraphene
IUPAC
7-BrMe-12-MeBA
ChEBI
7-bromomethyl-12-methylbenz[a]anthracene
ChemIDplus
7-bromomethyl-12-methylbenzanthracene
ChemIDplus
0
C21H27Cl4N3O
InChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H
PWGOWIIEVDAYTC-UHFFFAOYSA-N
479.26950
477.09082
Cl[H].Cl[H].CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
CAS:146-59-8
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride
chebi_ontology
ICR 170
N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-1,3-propanediamine dihydrochloride
acridine mustard
CHEBI:21183
ICR-170
CAS:146-59-8
ChemIDplus
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride
IUPAC
ICR 170
ChemIDplus
N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-1,3-propanediamine dihydrochloride
ChemIDplus
acridine mustard
ChemIDplus
0
C30H31ClN6
InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1
XXACTDWGHQXLGW-UHFFFAOYSA-M
511.06028
510.22987
[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\N=N\c1ccc(cc1)N(C)C
Beilstein:9748061
CAS:2869-83-2
Patent:US2882209
3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride
chebi_ontology
3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride
3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride
Janus Green B
Janus Green V
CHEBI:21184
Janus Green B chloride
Beilstein:9748061
Beilstein
CAS:2869-83-2
ChemIDplus
3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride
IUPAC
3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride
ChemIDplus
3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride
ChemIDplus
Janus Green B
ChemIDplus
Janus Green V
ChemIDplus
Any N-acylamino acid having L-configuration.
chebi_ontology
CHEBI:21644
N-acyl-L-amino acid
A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond.
glycosylamine
chebi_ontology
N-glycoside
N-glycosides
N-glycosyl compounds
glycosylamines
CHEBI:21731
N-glycosyl compound
glycosylamine
IUPAC
N-glycoside
ChEBI
N-glycosides
ChEBI
N-glycosyl compounds
ChEBI
glycosylamines
IUPAC
An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position
0
C2H5N5O3
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
VZUNGTLZRAYYDE-UHFFFAOYSA-N
147.09280
147.03924
CN(N=O)C(=N)N[N+]([O-])=O
CHEBI:34872
Beilstein:1779490
CAS:70-25-7
KEGG:C14592
1-methyl-3-nitro-1-nitrosoguanidine
N-Methyl-N'-nitro-N-nitrosoguanidine
chebi_ontology
1-Methyl-1-nitroso-3-nitroguanidine
1-Methyl-3-nitro-1-nitrosoguanidine
1-Nitroso-3-nitro-1-methylguanidine
MNG
MNNG
Methylnitronitrosoguanidine
N'-Nitro-N-nitroso-N-methylguanidine
N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide
N-Methyl-N-nitroso-N'-nitroguanidine
N-Methyl-N-nitrosonitroguanidin
N-Nitroso-N-methyl-N'-nitroguanidine
CHEBI:21759
N-methyl-N'-nitro-N-nitrosoguanidine
Beilstein:1779490
Beilstein
CAS:70-25-7
ChemIDplus
CAS:70-25-7
KEGG COMPOUND
CAS:70-25-7
NIST Chemistry WebBook
1-methyl-3-nitro-1-nitrosoguanidine
IUPAC
N-Methyl-N'-nitro-N-nitrosoguanidine
KEGG_COMPOUND
1-Methyl-1-nitroso-3-nitroguanidine
ChemIDplus
1-Methyl-3-nitro-1-nitrosoguanidine
KEGG_COMPOUND
1-Nitroso-3-nitro-1-methylguanidine
ChemIDplus
MNG
ChemIDplus
MNNG
ChemIDplus
MNNG
KEGG_COMPOUND
Methylnitronitrosoguanidine
KEGG_COMPOUND
N'-Nitro-N-nitroso-N-methylguanidine
ChemIDplus
N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide
NIST_Chemistry_WebBook
N-Methyl-N-nitroso-N'-nitroguanidine
ChEBI
N-Methyl-N-nitroso-N'-nitroguanidine
ChemIDplus
N-Methyl-N-nitrosonitroguanidin
ChEBI
N-Nitroso-N-methyl-N'-nitroguanidine
ChemIDplus
chebi_ontology
CHEBI:22025
S-2-chloroethylcysteine
An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).
CHEBI:35813
sulfoxide
chebi_ontology
S-oxides
sulfoxides
CHEBI:22063
sulfoxide
sulfoxide
ChEBI
S-oxides
ChEBI
sulfoxides
ChEBI
Compounds with the general formula RNHC(=O)CH3.
chebi_ontology
CHEBI:22160
acetamides
chebi_ontology
CHEBI:22213
acridines
An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids.
acyl group
alkanoyl
chebi_ontology
acyl groups
alkanoyl group
groupe acyle
CHEBI:22221
acyl group
acyl group
IUPAC
alkanoyl
IUPAC
acyl groups
ChEBI
alkanoyl group
ChEBI
groupe acyle
IUPAC
alkali metals
chebi_ontology
Alkalimetall
Alkalimetalle
alkali metal
metal alcalin
metal alcalino
metales alcalinos
metaux alcalins
CHEBI:22314
alkali metal atom
alkali metals
IUPAC
Alkalimetall
ChEBI
Alkalimetalle
ChEBI
alkali metal
ChEBI
metal alcalin
ChEBI
metal alcalino
ChEBI
metales alcalinos
ChEBI
metaux alcalins
ChEBI
Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids.
Wikipedia:Alkaloid
Alkaloid
alkaloids
chebi_ontology
Alkaloide
alcaloide
alcaloides
CHEBI:22315
alkaloid
Alkaloid
ChEBI
alkaloids
IUPAC
Alkaloide
ChEBI
alcaloide
ChEBI
alcaloides
ChEBI
A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom.
alkyl group
alkyl groups
chebi_ontology
groupe alkyle
grupo alquilo
grupos alquilo
CHEBI:22323
alkyl group
alkyl group
IUPAC
alkyl groups
IUPAC
groupe alkyle
IUPAC
grupo alquilo
IUPAC
grupos alquilo
IUPAC
chebi_ontology
aliphatic thioether
aliphatic thioethers
CHEBI:22327
aliphatic sulfide
aliphatic thioether
ChEBI
aliphatic thioethers
ChEBI
Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
chebi_ontology
CHEBI:22333
alkylating agent
chebi_ontology
aminobenzoates
CHEBI:22494
aminobenzoate
aminobenzoates
ChEBI
0
C7H7NO2
137.136
137.04768
aminobenzoic acid
chebi_ontology
Aminobenzoesaeure
CHEBI:22495
aminobenzoic acid
aminobenzoic acid
IUPAC
Aminobenzoesaeure
ChEBI
0
C19H20N8O5
InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
TVZGACDUOSZQKY-LBPRGKRZSA-N
440.41302
440.15567
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
Beilstein:69045
CAS:54-62-6
Drug_Central:21
PMID:18789931
4-aminofolic acid
N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
chebi_ontology
4-amino-PGA
4-aminopteroylglutamic acid
N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid
aminopterin
CHEBI:22526
4-aminofolic acid
Beilstein:69045
Beilstein
CAS:54-62-6
ChemIDplus
Drug_Central:21
DrugCentral
PMID:18789931
Europe PMC
4-aminofolic acid
ChemIDplus
N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
IUPAC
4-amino-PGA
ChemIDplus
4-aminopteroylglutamic acid
ChemIDplus
N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid
ChemIDplus
aminopterin
ChemIDplus
Any purine having at least one amino substituent.
chebi_ontology
aminopurines
CHEBI:22527
aminopurine
aminopurines
ChEBI
A monoatomic or polyatomic species having one or more elementary charges of the electron.
Anion
anion
chebi_ontology
Anionen
aniones
anions
CHEBI:22563
anion
Anion
ChEBI
anion
ChEBI
anion
IUPAC
Anionen
ChEBI
aniones
ChEBI
anions
IUPAC
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
chebi_ontology
antioxidants
antioxydant
antoxidant
CHEBI:22586
antioxidant
antioxidants
ChEBI
antioxydant
ChEBI
antoxidant
ChEBI
A substance that destroys or inhibits replication of viruses.
chebi_ontology
anti-viral agent
anti-viral agents
antiviral
antiviral agents
antivirals
CHEBI:22587
antiviral agent
anti-viral agent
ChEBI
anti-viral agents
ChEBI
antiviral
ChEBI
antiviral agents
ChEBI
antivirals
ChEBI
chebi_ontology
CHEBI:22681
aziridines
A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base).
KEGG:C00701
Base
base
chebi_ontology
Base1
Base2
Basen
Nucleobase
bases
CHEBI:22695
base
Base
ChEBI
base
ChEBI
base
IUPAC
Base1
KEGG_COMPOUND
Base2
KEGG_COMPOUND
Basen
ChEBI
Nucleobase
KEGG_COMPOUND
bases
ChEBI
Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
chebi_ontology
CHEBI:22712
benzenes
chebi_ontology
arenesulfonates
CHEBI:22713
arenesulfonate oxoanion
arenesulfonates
ChEBI
A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid.
chebi_ontology
benzoate anion
CHEBI:22718
benzoates
benzoate anion
ChEBI
Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
chebi_ontology
CHEBI:22723
benzoic acids
Wikipedia:Benzopyran
chebi_ontology
benzopyrans
CHEBI:22727
benzopyran
benzopyrans
ChEBI
Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives.
chebi_ontology
CHEBI:22729
benzoquinones
0
C7H7
91.13048
91.05478
C1=C(C=CC=C1)C*
benzyl
chebi_ontology
Bn
C6H5-CH2-
phenylalanine side-chain
phenylmethyl
CHEBI:22744
benzyl group
benzyl
IUPAC
Bn
ChEBI
C6H5-CH2-
IUPAC
phenylalanine side-chain
ChEBI
phenylmethyl
IUPAC
-3
BO3
InChI=1S/BO3/c2-1(3)4/q-3
BTBUEUYNUDRHOZ-UHFFFAOYSA-N
58.80920
58.99569
[O-]B([O-])[O-]
Gmelin:164057
borate
trioxidoborate(3-)
chebi_ontology
(BO3)3-
BO3(3-)
[BO3](3-)
borate ion
trioxoborate(3-) ion
trioxoborate(III) anion
CHEBI:22908
borate
Gmelin:164057
Gmelin
borate
IUPAC
trioxidoborate(3-)
IUPAC
(BO3)3-
ChEBI
BO3(3-)
IUPAC
[BO3](3-)
IUPAC
borate ion
ChEBI
trioxoborate(3-) ion
ChEBI
trioxoborate(III) anion
ChEBI
Any inorganic anion that is formally derived from boric acid. The term includes polymeric anions containing chains of BO3 structural units sharing one oxygen atom (e.g. di-, tri-, and tetraborates) as well as chains or rings sharing two oxygen atoms (e.g. metaborates).
Wikipedia:Borate
borate ion
chebi_ontology
borate anions
borate ions
CHEBI:22909
borate ion
borate ion
ChEBI
borate anions
ChEBI
borate ions
ChEBI
boron molecular entity
chebi_ontology
boron compounds
boron molecular entities
CHEBI:22916
boron molecular entity
boron molecular entity
ChEBI
boron compounds
ChEBI
boron molecular entities
ChEBI
A compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom.
chebi_ontology
brominated hydrocarbons
bromohydrocarbons
CHEBI:22926
bromohydrocarbon
brominated hydrocarbons
ChEBI
bromohydrocarbons
ChEBI
0
Br
InChI=1S/Br
WKBOTKDWSSQWDR-UHFFFAOYSA-N
79.90400
78.91834
[Br]
WebElements:Br
bromine
chebi_ontology
35Br
Br
Brom
brome
bromine
bromo
bromum
CHEBI:22927
bromine atom
bromine
IUPAC
35Br
IUPAC
Br
ChEBI
Brom
ChEBI
brome
ChEBI
bromine
ChEBI
bromo
ChEBI
bromum
ChEBI
bromine molecular entity
chebi_ontology
bromine compounds
bromine molecular entities
CHEBI:22928
bromine molecular entity
bromine molecular entity
ChEBI
bromine compounds
ChEBI
bromine molecular entities
ChEBI
Any haloalkane that consists of an alkane substituted by at least one bromine atom.
chebi_ontology
alkyl bromide
alkyl bromides
bromoalkanes
CHEBI:22929
bromoalkane
alkyl bromide
ChEBI
alkyl bromides
ChEBI
bromoalkanes
ChEBI
A diol that is a butanediol or a derivative of a butanediol.
chebi_ontology
CHEBI:22944
butanediols
Any ester of carbamic acid or its N-substituted derivatives.
Wikipedia:Carbamate
chebi_ontology
carbamate esters
carbamates
CHEBI:23003
carbamate ester
carbamate esters
ChEBI
carbamates
ChEBI
The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.
0
CH2NO
44.03272
44.01364
*C(N)=O
PMID:24168430
carbamoyl
chebi_ontology
-C(O)NH2
-CONH2
aminocarbonyl
carbamyl
carbamyl group
carboxamide
CHEBI:23004
carbamoyl group
PMID:24168430
Europe PMC
carbamoyl
IUPAC
-C(O)NH2
ChEBI
-CONH2
IUPAC
aminocarbonyl
IUPAC
carbamyl
ChEBI
carbamyl group
ChEBI
carboxamide
IUPAC
0
CO
28.01010
27.99491
O=C(*)*
carbonyl
carbonyl group
chebi_ontology
>C=O
CHEBI:23019
carbonyl group
carbonyl
IUPAC
carbonyl group
ChEBI
carbonyl group
UniProt
>C=O
IUPAC
A substance intended to sterilize any organism.
Wikipedia:Chemosterilant
chebi_ontology
chemosterilants
CHEBI:23092
chemosterilant
chemosterilants
ChEBI
chebi_ontology
chloride salts
chlorides
CHEBI:23114
chloride salt
chloride salts
ChEBI
chlorides
ChEBI
0
Cl
InChI=1S/Cl
ZAMOUSCENKQFHK-UHFFFAOYSA-N
35.45270
34.96885
[Cl]
WebElements:Cl
chlorine
chebi_ontology
17Cl
Chlor
Cl
chlore
chlorine
chlorum
cloro
CHEBI:23116
chlorine atom
chlorine
IUPAC
17Cl
IUPAC
Chlor
ChEBI
Cl
IUPAC
chlore
ChEBI
chlorine
ChEBI
chlorum
ChEBI
cloro
ChEBI
A halogen molecular entity containing one or more atoms of chlorine.
chebi_ontology
CHEBI:23117
chlorine molecular entity
Any haloalkane that consists of an alkane substituted by at least one chloro group.
chloroalkane
chebi_ontology
alkyl chloride
alkyl chlorides
chloroalkanes
CHEBI:23128
chloroalkane
chloroalkane
ChEBI
alkyl chloride
ChEBI
alkyl chlorides
ChEBI
chloroalkanes
ChEBI
chebi_ontology
CHEBI:23239
chromopeptide
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
Wikipedia:Cofactor_(biochemistry)
cofactor
cofactors
chebi_ontology
CHEBI:23357
cofactor
cofactor
IUPAC
cofactors
IUPAC
An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum.
0
C22H25NO6
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
IAKHMKGGTNLKSZ-UHFFFAOYSA-N
399.43704
399.16819
COc1cc2CCC(NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Beilstein:2228812
CAS:54192-66-4
DrugBank:DB01394
HMDB:HMDB0015466
LINCS:LSM-6449
PMID:10680067
PMID:24074178
PMID:7200520
PMID:9819133
Reaxys:2228812
N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
chebi_ontology
CHEBI:23359
colchicine
Beilstein:2228812
Beilstein
CAS:54192-66-4
NIST Chemistry WebBook
PMID:10680067
Europe PMC
PMID:24074178
Europe PMC
PMID:7200520
Europe PMC
PMID:9819133
Europe PMC
Reaxys:2228812
Reaxys
N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
IUPAC
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
molecular entity
chebi_ontology
entidad molecular
entidades moleculares
entite moleculaire
molecular entities
molekulare Entitaet
CHEBI:23367
molecular entity
molecular entity
IUPAC
entidad molecular
IUPAC
entidades moleculares
IUPAC
entite moleculaire
IUPAC
molecular entities
IUPAC
molekulare Entitaet
ChEBI
copper molecular entity
chebi_ontology
copper compounds
copper molecular entities
CHEBI:23377
copper molecular entity
copper molecular entity
ChEBI
copper compounds
ChEBI
copper molecular entities
ChEBI
Cu
63.546
62.92960
copper cation
chebi_ontology
Cu cation
copper cations
CHEBI:23378
copper cation
copper cation
IUPAC
Cu cation
UniProt
copper cations
ChEBI
A metal sulfate compound having copper(2+) as the metal ion.
0
CuO4S
InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
ARUVKPQLZAKDPS-UHFFFAOYSA-L
159.60960
158.88133
[Cu++].[O-]S([O-])(=O)=O
CAS:7758-98-7
Gmelin:8294
KEGG:C18713
PMID:10469300
PMID:29079364
PMID:8566016
PPDB:178
Wikipedia:Copper(II)_sulfate
Copper(II) sulfate
copper(2+) sulfate
copper(II) sulfate
chebi_ontology
CuSO4
Cupric sulfate
copper sulfate
cupric sulfate anhydrous
CHEBI:23414
copper(II) sulfate
CAS:7758-98-7
ChemIDplus
CAS:7758-98-7
KEGG COMPOUND
Gmelin:8294
Gmelin
PMID:10469300
Europe PMC
PMID:29079364
Europe PMC
PMID:8566016
Europe PMC
Copper(II) sulfate
KEGG_COMPOUND
copper(2+) sulfate
IUPAC
copper(II) sulfate
IUPAC
CuSO4
IUPAC
Cupric sulfate
ChemIDplus
copper sulfate
ChemIDplus
cupric sulfate anhydrous
ChemIDplus
An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues.
CHEBI:25309
cysteine derivative
chebi_ontology
cysteine derivatives
CHEBI:23509
cysteine derivative
cysteine derivative
ChEBI
cysteine derivatives
ChEBI
chebi_ontology
deoxyribonucleosides
CHEBI:23636
deoxyribonucleoside
deoxyribonucleosides
ChEBI
0
C4H6O2
InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
ZFIVKAOQEXOYFY-UHFFFAOYSA-N
86.08924
86.03678
C1OC1C1CO1
Beilstein:79831
CAS:1464-53-5
2,2'-bioxirane
chebi_ontology
1,1'-bi[ethylene oxide]
1,2:3,4-butadiene diepoxide
1,2:3,4-dianhydrothreitol
1,2:3,4-diepoxybutane
1,3-butadiene diepoxide
Butadiendioxyd
DEB
bioxirane
butadiene diepoxide
butadiene dioxide
butane diepoxide
dioxybutadiene
CHEBI:23704
diepoxybutane
Beilstein:79831
Beilstein
CAS:1464-53-5
ChemIDplus
CAS:1464-53-5
NIST Chemistry WebBook
2,2'-bioxirane
IUPAC
1,1'-bi[ethylene oxide]
NIST_Chemistry_WebBook
1,2:3,4-butadiene diepoxide
ChemIDplus
1,2:3,4-dianhydrothreitol
NIST_Chemistry_WebBook
1,2:3,4-diepoxybutane
ChemIDplus
1,3-butadiene diepoxide
NIST_Chemistry_WebBook
Butadiendioxyd
ChemIDplus
DEB
NIST_Chemistry_WebBook
bioxirane
NIST_Chemistry_WebBook
butadiene diepoxide
NIST_Chemistry_WebBook
butadiene dioxide
NIST_Chemistry_WebBook
butane diepoxide
NIST_Chemistry_WebBook
dioxybutadiene
ChemIDplus
0
C8H14O2
InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2
LFKLPJRVSHJZPL-UHFFFAOYSA-N
142.19556
142.09938
C(CCC1CO1)CC1CO1
Beilstein:104873
CAS:2426-07-5
2,2'-butane-1,4-diyldioxirane
chebi_ontology
1,2,7,8-Diepoxyoctane
1,2-Epoxy-7,8-epoxyoctane
1,7-Octadiene diepoxide
2,2'-(1,4-Butanediyl)bisoxirane
CHEBI:23705
1,2:7,8-diepoxyoctane
Beilstein:104873
Beilstein
CAS:2426-07-5
ChemIDplus
CAS:2426-07-5
NIST Chemistry WebBook
2,2'-butane-1,4-diyldioxirane
IUPAC
1,2,7,8-Diepoxyoctane
ChemIDplus
1,2-Epoxy-7,8-epoxyoctane
ChemIDplus
1,7-Octadiene diepoxide
ChemIDplus
2,2'-(1,4-Butanediyl)bisoxirane
ChemIDplus
A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols.
Wikipedia:Diol
diols
chebi_ontology
CHEBI:23824
diol
diols
IUPAC
Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
chebi_ontology
drugs
medicine
CHEBI:23888
drug
drugs
ChEBI
medicine
ChEBI
chebi_ontology
monoatomic anions
CHEBI:23905
monoatomic anion
monoatomic anions
ChEBI
chebi_ontology
monoatomic cations
CHEBI:23906
monoatomic cation
monoatomic cations
ChEBI
A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
enzyme inhibitor
chebi_ontology
enzyme inhibitors
inhibidor enzimatico
inhibidores enzimaticos
inhibiteur enzymatique
inhibiteurs enzymatiques
CHEBI:23924
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