alaynecuzick
2018-07-09T13:43:00Z
Ontology of species-neutral phenotypes observed in pathogen-host interactions.
Pathogen Host Interactions Phenotype Ontology
https://creativecommons.org/licenses/by/3.0/
2024-08-29
definition
The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
2012-04-05:
Barry Smith
The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible.
Can you fix to something like:
A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property.
Alan Ruttenberg
Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria.
On the specifics of the proposed definition:
We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition.
Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable.
We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with.
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
definition
definition
textual definition
If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL
is a defining property chain axiom
If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R.
is a defining property chain axiom where second argument is reflexive
created by
creation date
has_alternative_id
An alternative label for a class or property which has a more general meaning than the preferred name/primary label.
https://github.com/information-artifact-ontology/ontology-metadata/issues/18
has broad synonym
has_broad_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/18
database_cross_reference
An alternative label for a class or property which has the exact same meaning than the preferred name/primary label.
https://github.com/information-artifact-ontology/ontology-metadata/issues/20
has exact synonym
has_exact_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/20
An alternative label for a class or property which has a more specific meaning than the preferred name/primary label.
https://github.com/information-artifact-ontology/ontology-metadata/issues/19
has narrow synonym
has_narrow_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/19
has_obo_namespace
An alternative label for a class or property that has been used synonymously with the primary term name, but the usage is not strictly correct.
https://github.com/information-artifact-ontology/ontology-metadata/issues/21
has related synonym
has_related_synonym
https://github.com/information-artifact-ontology/ontology-metadata/issues/21
id
in_subset
is part of
my brain is part of my body (continuant parthood, two material entities)
my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)
this day is part of this year (occurrent parthood)
a core relation that holds between a part and its whole
Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)
A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'.
part_of
BFO:0000050
external
quality
part_of
part_of
part of
part of
part_of
http://www.obofoundry.org/ro/#OBO_REL:part_of
https://wiki.geneontology.org/Part_of
has part
my body has part my brain (continuant parthood, two material entities)
my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)
this year has part this day (occurrent parthood)
a core relation that holds between a whole and its part
Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)
A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'.
has_part
BFO:0000051
external
quality
has_part
has_part
has part
has part
has_part
realized in
this disease is realized in this disease course
this fragility is realized in this shattering
this investigator role is realized in this investigation
is realized by
realized_in
[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
realized in
realizes
this disease course realizes this disease
this investigation realizes this investigator role
this shattering realizes this fragility
to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
realizes
preceded by
x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other.
is preceded by
preceded_by
http://www.obofoundry.org/ro/#OBO_REL:preceded_by
BFO:0000062
external
preceded_by
preceded_by
preceded by
preceded by
precedes
x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
BFO:0000063
external
precedes
precedes
precedes
precedes
occurs in
b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
occurs_in
unfolds in
unfolds_in
BFO:0000066
external
occurs_in
occurs_in
Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant
occurs in
occurs in
https://wiki.geneontology.org/Occurs_in
site of
[copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant
contains process
GOREL:0002004
external
results_in_fission_of
results_in_fission_of
results in fission of
results_in_fission_of
results_in
alaynecuzick
2018-10-12T13:24:02Z
Used in FYPO as described in PATO best practices; placeholder relation to indicate normality/abnormality. which namespace? do we need all 3 triplicated again?
qualifier
inheres in
this fragility inheres in this vase
this fragility is a characteristic of this vase
this red color inheres in this apple
this red color is a characteristic of this apple
a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence.
a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence
A dependent inheres in its bearer at all times for which the dependent exists.
inheres_in
Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing.
characteristic of
inheres in
bearer of
this apple is bearer of this red color
this vase is bearer of this fragility
Inverse of characteristic_of
a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence
A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist.
bearer_of
is bearer of
RO:0000053
external
bearer_of
bearer_of
bearer of
bearer of
has characteristic
participates in
this blood clot participates in this blood coagulation
this input material (or this output material) participates in this process
this investigator participates in this investigation
a relation between a continuant and a process, in which the continuant is somehow involved in the process
participates_in
RO:0000056
external
participates_in
participates_in
participates in
participates in
has participant
this blood coagulation has participant this blood clot
this investigation has participant this investigator
this process has participant this input material (or this output material)
a relation between a process and a continuant, in which the continuant is somehow involved in the process
Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time.
has_participant
http://www.obofoundry.org/ro/#OBO_REL:has_participant
RO:0000057
external
has_participant
has_participant
has participant
has participant
this catalysis function is a function of this enzyme
a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence
A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists.
function_of
is function of
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
function of
this red color is a quality of this apple
a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence
A quality inheres in its bearer at all times for which the quality exists.
is quality of
quality_of
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
quality of
this investigator role is a role of this person
a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence
A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists.
is role of
role_of
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
role of
this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)
a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence
A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists.
has_function
has function
this apple has quality this red color
a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence
A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist.
has_quality
has quality
this person has role this investigator role (more colloquially: this person has this role of investigator)
a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence
A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists.
has_role
has role
a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence
has disposition
inverse of has disposition
This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.
disposition of
A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B.
2017-05-24T09:30:46Z
RO:0002013
external
has_regulatory_component_activity
has_regulatory_component_activity
has regulatory component activity
A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B.
2017-05-24T09:31:01Z
RO:0002014
external
has_negative_regulatory_component_activity
has_negative_regulatory_component_activity
By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'.
has negative regulatory component activity
A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B.
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
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.
2017-05-24T09:49:21Z
has component process
2017-09-17T13:52:24Z
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
directly regulated by
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
Process(P2) is directly 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.
2017-09-17T13:52:38Z
directly negatively regulated by
Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.
Process(P2) is directly 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.
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.
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.
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.
David Osumi-Sutherland
<=
Primitive instance level timing relation between events
before or simultaneous with
x simultaneous with y iff ω(x) = ω(y) and ω(α ) = ω(α), 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 and '=' indicates the same instance in time.
David Osumi-Sutherland
t1 simultaneous_with t2 iff:= t1 before_or_simultaneous_with t2 and not (t1 before t2)
simultaneous with
David Osumi-Sutherland
X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)
ends after
David Osumi-Sutherland
starts_at_end_of
RO:0002087
external
immediately_preceded_by
immediately_preceded_by
X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
immediately preceded by
immediately preceded by
David Osumi-Sutherland
ends_at_start_of
meets
RO:0002090
external
immediately_precedes
immediately_precedes
X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)
immediately precedes
immediately precedes
RO:0002092
external
happens_during
happens_during
happens during
RO:0002093
external
ends_during
ends_during
ends during
x overlaps y if and only if there exists some z such that x has part z and z part of y
http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)
RO:0002131
external
overlaps
overlaps
overlaps
overlaps
true
lactation SubClassOf 'only in taxon' some 'Mammalia'
x only in taxon y if and only if x is in taxon y, and there is no other organism z such that y!=z a and x is in taxon z.
The original intent was to treat this as a macro that expands to 'in taxon' only ?Y - however, this is not necessary if we instead have supplemental axioms that state that each pair of sibling tax have a disjointness axiom using the 'in taxon' property - e.g.
'in taxon' some Eukaryota DisjointWith 'in taxon' some Eubacteria
only in taxon
x is in taxon y if an only if y is an organism, and the relationship between x and y is one of: part of (reflexive), developmentally preceded by, derives from, secreted by, expressed.
Connects a biological entity to its taxon of origin.
in taxon
w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.
The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity.
For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit.
RO:0002180
external
has_component
has_component
has component
has component
p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q.
GO
Regulation precludes parthood; the regulatory process may not be within the regulated process.
regulates (processual)
false
RO:0002211
external
regulates
regulates
regulates
regulates
p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q.
negatively regulates (process to process)
RO:0002212
external
negatively_regulates
negatively_regulates
negatively regulates
negatively regulates
p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q.
positively regulates (process to process)
RO:0002213
external
positively_regulates
positively_regulates
positively regulates
positively regulates
mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)
osteoclast SubClassOf 'capable of' some 'bone resorption'
A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process.
has function realized in
For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)".
RO:0002215
external
capable_of
capable_of
capable of
capable of
c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p.
has function in
RO:0002216
external
capable_of_part_of
capable_of_part_of
capable of part of
capable of part of
true
Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends.
https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1
A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations.
temporally related to
inverse of starts with
Chris Mungall
Allen
starts
Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor
x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
Chris Mungall
started by
RO:0002224
external
starts_with
starts_with
starts with
starts with
inverse of ends with
Chris Mungall
ends
x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
Chris Mungall
finished by
RO:0002230
external
ends_with
ends_with
ends with
ends with
x 'has starts location' y if and only if there exists some process z such that x 'starts with' z and z 'occurs in' y
starts with process that occurs in
RO:0002231
external
has_start_location
has_start_location
has start location
has start location
x 'has end location' y if and only if there exists some process z such that x 'ends with' z and z 'occurs in' y
ends with process that occurs in
RO:0002232
external
has_end_location
has_end_location
has end location
has end location
p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p.
consumes
RO:0002233
external
has_input
has_input
has input
has input
https://wiki.geneontology.org/Has_input
p has output c iff c is a participant in p, c is present at the end of p, and c is not present in the same state at the beginning of p.
produces
RO:0002234
external
has_output
has_output
has output
has output
https://wiki.geneontology.org/Has_output
A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision.
c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes.
acts upstream of
A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway.
c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process.
affects
acts upstream of or within
https://wiki.geneontology.org/Acts_upstream_of_or_within
p results in the developmental progression of s iff p is a developmental process and s is an anatomical entity and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss).
This property and its subproperties are being used primarily for the definition of GO developmental processes. The property hierarchy mirrors the core GO hierarchy. In future we may be able to make do with a more minimal set of properties, but due to the way GO is currently structured we require highly specific relations to avoid incorrect entailments. To avoid this, the corresponding genus terms in GO should be declared mutually disjoint.
RO:0002295
external
results_in_developmental_progression_of
results_in_developmental_progression_of
results in developmental progression of
results in developmental progression of
every flower development (GO:0009908) results in development of some flower (PO:0009046)
p 'results in development of' c if and only if p is a developmental process and p results in the state of c changing from its initial state as a primordium or anlage through its mature state and to its final state.
http://www.geneontology.org/GO.doc.development.shtml
RO:0002296
external
results_in_development_of
results_in_development_of
results in development of
results in development of
an annotation of gene X to anatomical structure formation with results_in_formation_of UBERON:0000007 (pituitary gland) means that at the beginning of the process a pituitary gland does not exist and at the end of the process a pituitary gland exists.
every "endocardial cushion formation" (GO:0003272) results_in_formation_of some "endocardial cushion" (UBERON:0002062)
Chris Mungall
GOC:mtg_berkeley_2013
RO:0002297
external
results_in_formation_of
results_in_formation_of
results in formation of
results in formation of
results in formation of anatomical entity
p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q.
RO:0002304
external
causally_upstream_of,_positive_effect
causally_upstream_of,_positive_effect
holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y
causally upstream of, positive effect
p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q.
RO:0002305
external
causally_upstream_of,_negative_effect
causally_upstream_of,_negative_effect
causally upstream of, negative effect
q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w.
Because part_of is transitive, inheres in is a sub-relation of characteristic of part of
inheres in part of
characteristic of part of
true
an annotation of gene X to cell differentiation with results_in_maturation_of CL:0000057 (fibroblast) means that at the end of the process the input cell that did not have features of a fibroblast, now has the features of a fibroblast.
The relationship that links a specified entity with the process that results in an unspecified entity acquiring the features and characteristics of the specified entity
GOC:mtg_berkeley_2013
RO:0002315
external
results_in_acquisition_of_features_of
results_in_acquisition_of_features_of
results in acquisition of features of
results in acquisition of features of
A relationship that holds via some environmental process
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving the process of evolution.
evolutionarily related to
A mereological relationship or a topological relationship
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships
mereotopologically related to
A relationship that holds between entities participating in some developmental process (GO:0032502)
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development
developmentally related to
a particular instances of akt-2 enables some instance of protein kinase activity
c enables p iff c is capable of p and c acts to execute p.
catalyzes
executes
has
is catalyzing
is executing
This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized.
enables
https://wiki.geneontology.org/Enables
A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities.
This is a grouping relation that collects relations used for the purpose of connecting structure and function
functionally related to
this relation holds between c and p when c is part of some c', and c' is capable of p.
false
part of structure that is capable of
true
c involved_in p if and only if c enables some process p', and p' is part of p
actively involved in
enables part of
involved in
https://wiki.geneontology.org/Involved_in
inverse of enables
enabled by
https://wiki.geneontology.org/Enabled_by
inverse of regulates
regulated by (processual)
RO:0002334
external
regulated_by
regulated_by
regulated by
regulated by
inverse of negatively regulates
RO:0002335
external
negatively_regulated_by
negatively_regulated_by
negatively regulated by
negatively regulated by
inverse of positively regulates
RO:0002336
external
positively_regulated_by
positively_regulated_by
positively regulated by
positively regulated by
A relationship that holds via some process of localization
Do not use this relation directly. It is a grouping relation.
related via localization to
This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from some initial location l to some destination.
RO:0002338
external
has_target_start_location
has_target_start_location
has target start location
has target start location
This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from a an initial location to some destination l.
RO:0002339
external
has_target_end_location
has_target_end_location
has target end location
has target end location
'mitochondrial transport' results_in_transport_to_from_or_in some mitochondrion (GO:0005739)
RO:0002344
external
results_in_transport_to_from_or_in
results_in_transport_to_from_or_in
results in transport to from or in
results in transport to from or in
inverse of has input
input of
inverse of has output
RO:0002353
external
output_of
output_of
output of
output of
formed as result of
inverse of upstream of
RO:0002404
external
causally_downstream_of
causally_downstream_of
causally downstream of
causally downstream of
RO:0002405
external
immediately_causally_downstream_of
immediately_causally_downstream_of
immediately causally downstream of
immediately causally downstream of
p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q.
indirectly activates
indirectly positively regulates
https://wiki.geneontology.org/Indirectly_positively_regulates
p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q.
indirectly inhibits
indirectly negatively regulates
https://wiki.geneontology.org/Indirectly_negatively_regulates
relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause.
This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents.
To define causal relations in an activity-flow type network, we make use of 3 primitives:
* Temporal: how do the intervals of the two occurrents relate?
* Is the causal relation regulatory?
* Is the influence positive or negative?
The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified.
For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule.
For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral.
Each of these 3 primitives can be composed to yield a cross-product of different relation types.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causally related to
relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause.
https://en.wikipedia.org/wiki/Causality
p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q.
RO:0002411
external
causally_upstream_of
causally_upstream_of
causally upstream of
causally upstream of
p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q.
RO:0002412
external
immediately_causally_upstream_of
immediately_causally_upstream_of
immediately causally upstream of
immediately causally upstream of
p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q.
We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2
influences (processual)
RO:0002418
external
affects
causally_upstream_of_or_within
causally_upstream_of_or_within
causally upstream of or within
inverse of causally upstream of or within
RO:0002427
external
causally_downstream_of_or_within
causally_downstream_of_or_within
causally downstream of or within
c involved in regulation of p if c is involved in some p' and p' regulates some p
involved in regulation of
c involved in regulation of p if c is involved in some p' and p' positively regulates some p
involved in positive regulation of
c involved in regulation of p if c is involved in some p' and p' negatively regulates some p
involved in negative regulation of
c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p
OWL does not allow defining object properties via a Union
involved in or reguates
involved in or involved in regulation of
A protein that enables activity in a cytosol.
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
executes activity in
enables activity in
is active in
https://wiki.geneontology.org/Is_active_in
true
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
A relationship that holds between two entities in which the processes executed by the two entities are causally connected.
This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact.
Considering relabeling as 'pairwise interacts with'
Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules.
in pairwise interaction with
interacts with
http://purl.obolibrary.org/obo/ro/docs/interaction-relations/
http://purl.obolibrary.org/obo/MI_0914
An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other.
binds
molecularly binds with
molecularly interacts with
http://purl.obolibrary.org/obo/MI_0915
Axiomatization to GO to be added later
An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y.
phosphorylates
The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B.
A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B.
molecularly controls
directly regulates activity of
The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B.
For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B.
directly inhibits
molecularly decreases activity of
directly negatively regulates activity of
The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B.
For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B.
directly activates
molecularly increases activity of
directly positively regulates activity of
This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning.
helper property (not for use in curation)
p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c.
has part that occurs in
true
is kinase activity
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, typically connecting an anatomical entity to a biological process or developmental stage.
relation between physical entity and a process or stage
x existence starts during y if and only if the time point at which x starts is after or equivalent to the time point at which y starts and before or equivalent to the time point at which y ends. Formally: x existence starts during y iff α(x) >= α(y) & α(x) <= ω(y).
existence starts during
x starts ends with y if and only if the time point at which x starts is equivalent to the time point at which y starts. Formally: x existence starts with y iff α(x) = α(y).
existence starts with
x existence overlaps y if and only if either (a) the start of x is part of y or (b) the end of x is part of y. Formally: x existence starts and ends during y iff (α(x) >= α(y) & α(x) <= ω(y)) OR (ω(x) <= ω(y) & ω(x) >= α(y))
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence overlaps
x existence ends during y if and only if the time point at which x ends is before or equivalent to the time point at which y ends and after or equivalent to the point at which y starts. Formally: x existence ends during y iff ω(x) <= ω(y) and ω(x) >= α(y).
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence ends during
x existence ends with y if and only if the time point at which x ends is equivalent to the time point at which y ends. Formally: x existence ends with y iff ω(x) = ω(y).
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence ends with
x existence starts during or after y if and only if the time point at which x starts is after or equivalent to the time point at which y starts. Formally: x existence starts during or after y iff α (x) >= α (y).
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence starts during or after
x existence ends during or before y if and only if the time point at which x ends is before or equivalent to the time point at which y ends.
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence ends during or before
A relationship between a material entity and a process where the material entity has some causal role that influences the process
causal agent in process
p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between processes
depends on
q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2
This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C.
towards
The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between entities
causally influenced by (entity-centric)
causally influenced by
interaction relation helper property
http://purl.obolibrary.org/obo/ro/docs/interaction-relations/
molecular interaction relation helper property
The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size).
causally influences (entity-centric)
causally influences
A relation that holds between an attribute or a qualifier and another attribute.
This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the "modifiers" are.
has modifier
p directly regulates q iff p is immediately causally upstream of q and p regulates q.
directly regulates (processual)
RO:0002578
external
directly_regulates
directly_regulates
directly regulates
gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'
s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p
has part structure that is capable of
p results in breakdown of c if and only if the execution of p leads to c no longer being present at the end of p
results in breakdown of
RO:0002588
external
results_in_assembly_of
results_in_assembly_of
results in assembly of
RO:0002590
external
results_in_disassembly_of
results_in_disassembly_of
results in disassembly of
p results in organization of c iff p results in the assembly, arrangement of constituent parts, or disassembly of c
RO:0002592
external
results_in_organization_of
results_in_organization_of
results in organization of
A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between material entity and a process
pyrethroid -> growth
Holds between c and p if and only if c is capable of some activity a, and a regulates p.
capable of regulating
Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p.
capable of negatively regulating
renin -> arteriolar smooth muscle contraction
Holds between c and p if and only if c is capable of some activity a, and a positively regulates p.
capable of positively regulating
Inverse of 'causal agent in process'
RO:0002608
external
process_has_causal_agent
process_has_causal_agent
process has causal agent
p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q.
directly positively regulates (process to process)
RO:0002629
external
directly_positively_regulates
directly_positively_regulates
directly positively regulates
https://wiki.geneontology.org/Directly_positively_regulates
p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q.
directly negatively regulates (process to process)
RO:0002630
external
directly_negatively_regulates
directly_negatively_regulates
directly negatively regulates
https://wiki.geneontology.org/Directly_negatively_regulates
a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix.
RO:0003000
external
produces
produces
Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue.
produces
produces
a produced_by b iff some process that occurs_in b has_output a.
RO:0003001
external
produced_by
produced_by
produced by
produced by
p 'has primary input ot output' c iff either (a) p 'has primary input' c or (b) p 'has primary output' c.
2018-12-13T11:26:17Z
RO:0004007
external
has_primary_input_or_output
has_primary_input_or_output
has primary input or output
p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c.
2018-12-13T11:26:32Z
RO:0004008
external
has_primary_output
has_primary_output
has primary output
p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c.
GOC:dph
GOC:kva
GOC:pt
PMID:27812932
p has primary input c if (a) p has input c and (b) the goal of process is to modify, consume, or transform c.
2018-12-13T11:26:56Z
RO:0004009
external
has_primary_input
has_primary_input
has primary input
p has primary input c if (a) p has input c and (b) the goal of process is to modify, consume, or transform c.
GOC:dph
GOC:kva
GOC:pt
PMID:27812932
Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P.
2018-01-25T23:20:13Z
enables subfunction
2018-01-26T23:49:30Z
acts upstream of or within, positive effect
https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect
2018-01-26T23:49:51Z
acts upstream of or within, negative effect
https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect
c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive
2018-01-26T23:53:14Z
acts upstream of, positive effect
https://wiki.geneontology.org/Acts_upstream_of,_positive_effect
c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative
2018-01-26T23:53:22Z
acts upstream of, negative effect
https://wiki.geneontology.org/Acts_upstream_of,_negative_effect
2018-03-13T23:55:05Z
causally upstream of or within, negative effect
https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect
2018-03-13T23:55:19Z
causally upstream of or within, positive effect
The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B.
regulates activity of
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.
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.
2022-09-26T06:08:01Z
indirectly regulates
q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
different in magnitude relative to
q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
https://orcid.org/0000-0002-6601-2165
q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'.
increased in magnitude relative to
q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
https://orcid.org/0000-0002-6601-2165
q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'.
decreased in magnitude relative to
q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
https://orcid.org/0000-0002-6601-2165
has relative magnitude
q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e.
There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality.
reciprocal of
q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e.
https://orcid.org/0000-0002-6601-2165
A diagnostic testing device utilizes a specimen.
X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y.
A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input.
See github ticket https://github.com/oborel/obo-relations/issues/497
2021-11-08T12:00:00Z
utilizes
device utilizes material
A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C.
RO:0019000
gene_ontology
regulates_characteristic
regulates_characteristic
regulates characteristic
A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C.
RO:0019001
gene_ontology
positively_regulates_characteristic
positively_regulates_characteristic
positively regulates characteristic
A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C.
RO:0019002
gene_ontology
negatively_regulates_characteristic
negatively_regulates_characteristic
negatively regulates characteristic
p has anatomical participant c iff p has participant c, and c is an anatomical entity
2018-09-26T01:08:58Z
RO:0040036
external
results_in_changes_to_anatomical_or_cellular_structure
results_in_changes_to_anatomical_or_cellular_structure
results in changes to anatomical or cellular structure
OBSOLETE. q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
RO:0015008
quality
decreased_in_magnitude_relative_to
Refer to https://github.com/pato-ontology/pato/issues/454 for obsoletion reason. This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'.
obsolete decreased_in_magnitude_relative_to
true
OBSOLETE. q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
RO:0015010
quality
has_relative_magnitude
Refer to https://github.com/pato-ontology/pato/issues/454.
obsolete has_relative_magnitude
true
OBSOLETE. q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
RO:0015007
quality
increased_in_magnitude_relative_to
Refer to https://github.com/pato-ontology/pato/issues/454. This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'.
obsolete increased_in_magnitude_relative_to
true
OBSOLETE. q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
RO:0002503
quality
towards
Consider using RO:0002503 instead. See https://github.com/pato-ontology/pato/issues/454
obsolete towards
true
Inverse of part_of.
sequence
has_part
Example: operon has_part gene.
has_part
Inverse of part_of.
http://precedings.nature.com/documents/3495/version/1
entity
Entity
Julius Caesar
Verdi’s Requiem
the Second World War
your body mass index
BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81
Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf
An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])
entity
Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf
per discussion with Barry Smith
An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])
continuant
Continuant
An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts.
BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240
Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants
A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])
if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])
if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])
if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])
(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]
(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]
(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]
(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]
continuant
Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants
A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])
if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])
if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])
if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])
(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]
(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]
(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]
(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]
occurrent
Occurrent
An entity that has temporal parts and that happens, unfolds or develops through time.
BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region
BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players.
Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process.
Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame.
An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])
Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])
b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])
(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]
(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]
occurrent
Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process.
per discussion with Barry Smith
Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame.
An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])
Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])
b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])
(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]
(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]
ic
IndependentContinuant
a chair
a heart
a leg
a molecule
a spatial region
an atom
an orchestra.
an organism
the bottom right portion of a human torso
the interior of your mouth
A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])
For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])
For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])
(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]
(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002]
(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]
A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
independent continuant
b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])
For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])
For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])
(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]
(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002]
(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]
process
Process
a process of cell-division, \ a beating of the heart
a process of meiosis
a process of sleeping
the course of a disease
the flight of a bird
the life of an organism
your process of aging.
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])
BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)
(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003]
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
process
p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])
(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003]
disposition
Disposition
an atom of element X has the disposition to decay to an atom of element Y
certain people have a predisposition to colon cancer
children are innately disposed to categorize objects in certain ways.
the cell wall is disposed to filter chemicals in endocytosis and exocytosis
BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type.
b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])
If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])
(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002]
(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]
disposition
b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])
If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])
(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002]
(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]
realizable
RealizableEntity
the disposition of this piece of metal to conduct electricity.
the disposition of your blood to coagulate
the function of your reproductive organs
the role of being a doctor
the role of this boundary to delineate where Utah and Colorado meet
A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances.
To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])
All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])
(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002]
(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002]
realizable
realizable entity
To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])
All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])
(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002]
(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002]
quality
sdc
SpecificallyDependentContinuant
Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key
of one-sided specifically dependent continuants: the mass of this tomato
of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates.
the disposition of this fish to decay
the function of this heart: to pump blood
the mutual dependence of proton donors and acceptors in chemical reactions [79
the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction
the pink color of a medium rare piece of grilled filet mignon at its center
the role of being a doctor
the shape of this hole.
the smell of this portion of mozzarella
A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])
b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])
Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc.
(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004]
(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003]
A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
characteristic
specifically dependent continuant
https://github.com/OBOFoundry/COB/issues/65
https://github.com/oborel/obo-relations/pull/284
b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])
b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])
Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc.
per discussion with Barry Smith
(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004]
(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003]
A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts.
role
gdc
GenericallyDependentContinuant
The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity.
the pdf file on your laptop, the pdf file that is a copy thereof on my laptop
the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule.
A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time.
b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])
(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]
generically dependent continuant
b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])
(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]
function
material
MaterialEntity
a flame
a forest fire
a human being
a hurricane
a photon
a puff of smoke
a sea wave
a tornado
an aggregate of human beings.
an energy wave
an epidemic
the undetached arm of a human being
An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time.
BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60
BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity.
BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here.
A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])
Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])
every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])
(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]
(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002]
(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002]
material entity
A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])
Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])
every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])
(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]
(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002]
(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002]
A part of a multicellular organism that is either an immaterial entity or a material entity with granularity above the level of a protein complex. Or, a substance produced by a multicellular organism with granularity above the level of a protein complex.
anatomical entity
A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species.
0
C12H12N2O3
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
MHWLWQUZZRMNGJ-UHFFFAOYSA-N
232.23530
232.08479
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12
CHEBI:7456
CAS:389-08-2
DrugBank:DB00779
Drug_Central:1875
KEGG:C05079
KEGG:D00183
LINCS:LSM-5590
PDBeChem:NIX
PMID:11321869
PMID:12002106
PMID:12399485
PMID:12702698
PMID:14107587
PMID:16107187
PMID:16423473
PMID:16667857
PMID:16803589
PMID:17132068
PMID:17631104
PMID:18788798
PMID:19071706
PMID:28166217
Patent:BE612258
Patent:US3590036
Reaxys:750515
VSDB:1880
Wikipedia:Nalidixic_Acid
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
NALIDIXIC ACID
Nalidixic acid
chebi_ontology
1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
acide nalidixique
acido nalidixico
acidum nalidixicum
nalidixic acid
CHEBI:100147
nalidixic acid
CAS:389-08-2
ChemIDplus
CAS:389-08-2
KEGG COMPOUND
Drug_Central:1875
DrugCentral
PMID:11321869
Europe PMC
PMID:12002106
Europe PMC
PMID:12399485
Europe PMC
PMID:12702698
Europe PMC
PMID:14107587
Europe PMC
PMID:16107187
Europe PMC
PMID:16423473
Europe PMC
PMID:16667857
Europe PMC
PMID:16803589
Europe PMC
PMID:17132068
Europe PMC
PMID:17631104
Europe PMC
PMID:18788798
Europe PMC
PMID:19071706
Europe PMC
PMID:28166217
Europe PMC
Reaxys:750515
Reaxys
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
IUPAC
NALIDIXIC ACID
ChEMBL
Nalidixic acid
KEGG_COMPOUND
1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
ChemIDplus
1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure
ChemIDplus
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
ChEMBL
1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
ChemIDplus
1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid
ChemIDplus
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
ChemIDplus
acide nalidixique
ChemIDplus
acido nalidixico
ChemIDplus
acidum nalidixicum
ChemIDplus
nalidixic acid
ChemIDplus
A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.
0
C15H20O6
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
LINOMUASTDIRTM-QGRHZQQGSA-N
296.319
296.12599
[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1
CAS:51481-10-8
Chemspider:36584
KEGG:C09747
KNApSAcK:C00003201
LIPID_MAPS_instance:LMPR0103180002
PMID:28780485
PMID:30284112
PMID:30714884
PMID:30760085
PMID:30802751
PMID:30806951
PMID:30841652
PMID:31394401
PMID:31817218
PMID:31867960
PMID:31960350
PMID:32218143
PMID:32260237
PMID:32560237
PMID:32745571
PMID:32805342
PMID:32851525
PMID:32880717
PMID:32930227
Wikipedia:Vomitoxin
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
chebi_ontology
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
4-Deoxynivalenol
4-Desoxynivalenol
DON
Dehydronivalenol
Desoxynivalenol
Vomitoxin
CHEBI:10022
deoxynivalenol
CAS:51481-10-8
ChemIDplus
CAS:51481-10-8
KEGG COMPOUND
LIPID_MAPS_instance:LMPR0103180002
LIPID MAPS
PMID:28780485
Europe PMC
PMID:30284112
Europe PMC
PMID:30714884
Europe PMC
PMID:30760085
Europe PMC
PMID:30802751
Europe PMC
PMID:30806951
Europe PMC
PMID:30841652
Europe PMC
PMID:31394401
Europe PMC
PMID:31817218
Europe PMC
PMID:31867960
Europe PMC
PMID:31960350
Europe PMC
PMID:32218143
Europe PMC
PMID:32260237
Europe PMC
PMID:32560237
Europe PMC
PMID:32745571
Europe PMC
PMID:32805342
Europe PMC
PMID:32851525
Europe PMC
PMID:32880717
Europe PMC
PMID:32930227
Europe PMC
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
IUPAC
3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
ChemIDplus
4-Deoxynivalenol
ChemIDplus
4-Desoxynivalenol
ChemIDplus
DON
KEGG_COMPOUND
Dehydronivalenol
ChemIDplus
Desoxynivalenol
ChemIDplus
Vomitoxin
KEGG_COMPOUND
A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.
0
C16H14F3N5O
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
BCEHBSKCWLPMDN-MGPLVRAMSA-N
349.31050
349.11504
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
CHEBI:127308
Beilstein:7694998
CAS:137234-62-9
DrugBank:DB00582
Drug_Central:2846
KEGG:C07622
KEGG:D00578
LINCS:LSM-5244
PMID:12940129
PMID:22718362
PMID:23392902
PMID:23527908
PMID:23766489
PMID:24102553
Patent:EP440372
Patent:US5278175
Wikipedia:Voriconazole
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
voriconazole
chebi_ontology
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
VCZ
Vfend
voriconazol
voriconazole
voriconazolum
CHEBI:10023
voriconazole
Beilstein:7694998
Beilstein
CAS:137234-62-9
ChemIDplus
CAS:137234-62-9
DrugBank
CAS:137234-62-9
KEGG COMPOUND
CAS:137234-62-9
KEGG DRUG
Drug_Central:2846
DrugCentral
PMID:12940129
Europe PMC
PMID:22718362
Europe PMC
PMID:23392902
Europe PMC
PMID:23527908
Europe PMC
PMID:23766489
Europe PMC
PMID:24102553
Europe PMC
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
IUPAC
voriconazole
UniProt
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
ChEBI
(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
ChemIDplus
VCZ
DrugBank
Vfend
ChEBI
voriconazol
WHO_MedNet
voriconazole
ChemIDplus
voriconazole
WHO_MedNet
voriconazolum
WHO_MedNet
A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.
0
C17H18FN3O3
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
MYSWGUAQZAJSOK-UHFFFAOYSA-N
331.34150
331.13322
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
CHEBI:102718
CHEBI:3717
CHEBI:41638
Beilstein:3568352
CAS:85721-33-1
DrugBank:DB00537
Drug_Central:659
HMDB:HMDB0014677
KEGG:C05349
KEGG:D00186
LINCS:LSM-5226
PDBeChem:CPF
PMID:10397494
PMID:10737746
Patent:DE3142854
Patent:US4670444
Reaxys:3568352
VSDB:1763
Wikipedia:Ciprofloxacin
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Ciprofloxacin
ciprofloxacin
chebi_ontology
1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
ciprofloxacin
ciprofloxacine
ciprofloxacino
ciprofloxacinum
CHEBI:100241
ciprofloxacin
Beilstein:3568352
Beilstein
CAS:85721-33-1
ChemIDplus
CAS:85721-33-1
KEGG COMPOUND
Drug_Central:659
DrugCentral
PMID:10397494
ChEMBL
PMID:10737746
ChEMBL
Reaxys:3568352
Reaxys
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
Ciprofloxacin
KEGG_COMPOUND
ciprofloxacin
ChEMBL
1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
PDBeChem
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
ChEMBL
1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
ChEMBL
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
ChemIDplus
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
ChEMBL
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
ChEMBL
1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
ChEMBL
ciprofloxacin
ChemIDplus
ciprofloxacine
ChemIDplus
ciprofloxacino
ChemIDplus
ciprofloxacinum
ChemIDplus
A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.
0
C16H18FN3O3
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
OGJPXUAPXNRGGI-UHFFFAOYSA-N
319.33080
319.13322
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
CHEBI:7629
Beilstein:567897
CAS:70458-96-7
DrugBank:DB01059
Drug_Central:1967
Gmelin:1576626
HMDB:HMDB0015192
KEGG:C06687
KEGG:D00210
LINCS:LSM-5286
PMID:3317294
PMID:3908074
PMID:6211142
PMID:6224685
PMID:6234465
PMID:6454381
PMID:6461606
Patent:BE863429
Patent:DE2840910
Patent:US4146719
Patent:US4292317
Reaxys:567897
VSDB:1831
Wikipedia:Norfloxacin
1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
chebi_ontology
1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure
1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
NFLX
norfloxacin
norfloxacine
norfloxacino
norfloxacinum
CHEBI:100246
norfloxacin
Beilstein:567897
Beilstein
CAS:70458-96-7
ChemIDplus
CAS:70458-96-7
KEGG COMPOUND
Drug_Central:1967
DrugCentral
Gmelin:1576626
Gmelin
PMID:3317294
Europe PMC
PMID:3908074
Europe PMC
PMID:6211142
Europe PMC
PMID:6224685
Europe PMC
PMID:6234465
Europe PMC
PMID:6454381
Europe PMC
PMID:6461606
Europe PMC
Reaxys:567897
Reaxys
1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
ChemIDplus
1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure
ChemIDplus
1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
ChemIDplus
NFLX
KEGG_DRUG
norfloxacin
KEGG_DRUG
norfloxacine
ChemIDplus
norfloxacino
ChemIDplus
norfloxacinum
ChemIDplus
A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.
0
C11H13N3O3S
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
NHUHCSRWZMLRLA-UHFFFAOYSA-N
267.30400
267.06776
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
CHEBI:9343
Beilstein:263871
CAS:127-69-5
DrugBank:DB00263
Drug_Central:2529
Gmelin:864477
KEGG:C07318
KEGG:D00450
LINCS:LSM-3120
PMID:1861917
PMID:4960234
PMID:7356572
Patent:US2430094
Wikipedia:Sulfisoxazole
4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
chebi_ontology
3,4-Dimethyl-5-sulfanilamidoisoxazole
3,4-Dimethyl-5-sulfonamidoisoxazole
3,4-Dimethyl-5-sulphanilamidoisoxazole
3,4-Dimethyl-5-sulphonamidoisoxazole
3,4-Dimethylisoxazole-5-sulfanilamide
3,4-Dimethylisoxazole-5-sulphanilamide
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide
5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole
5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole
5-Sulfanilamido-3,4-dimethylisoxazole
5-Sulphanilamido-3,4-dimethyl-isoxazole
N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide
N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide
N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide
Sulfadimethylisoxazole
Sulfafurazol
Sulfaisoxazole
Sulfasoxazole
Sulfisonazole
Sulfisoxasole
Sulfisoxazol
Sulfofurazole
Sulphadimethylisoxazole
Sulphafurazol
Sulphafurazole
Sulphaisoxazole
Sulphisoxazol
Sulphofurazole
sulfafurazole
sulfafurazolum
CHEBI:102484
sulfisoxazole
Beilstein:263871
Beilstein
CAS:127-69-5
ChemIDplus
CAS:127-69-5
NIST Chemistry WebBook
Drug_Central:2529
DrugCentral
Gmelin:864477
Gmelin
PMID:1861917
Europe PMC
PMID:4960234
Europe PMC
PMID:7356572
Europe PMC
4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
IUPAC
3,4-Dimethyl-5-sulfanilamidoisoxazole
ChemIDplus
3,4-Dimethyl-5-sulfonamidoisoxazole
ChemIDplus
3,4-Dimethyl-5-sulphanilamidoisoxazole
ChemIDplus
3,4-Dimethyl-5-sulphonamidoisoxazole
ChemIDplus
3,4-Dimethylisoxazole-5-sulfanilamide
ChemIDplus
3,4-Dimethylisoxazole-5-sulphanilamide
ChemIDplus
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
NIST_Chemistry_WebBook
4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide
ChemIDplus
5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole
ChemIDplus
5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole
ChemIDplus
5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole
ChemIDplus
5-Sulfanilamido-3,4-dimethylisoxazole
ChemIDplus
5-Sulphanilamido-3,4-dimethyl-isoxazole
ChemIDplus
N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide
ChemIDplus
N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide
ChemIDplus
N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide
ChemIDplus
Sulfadimethylisoxazole
DrugBank
Sulfafurazol
DrugBank
Sulfaisoxazole
DrugBank
Sulfasoxazole
DrugBank
Sulfisonazole
DrugBank
Sulfisoxasole
DrugBank
Sulfisoxazol
DrugBank
Sulfofurazole
DrugBank
Sulphadimethylisoxazole
NIST_Chemistry_WebBook
Sulphafurazol
DrugBank
Sulphafurazole
DrugBank
Sulphaisoxazole
DrugBank
Sulphisoxazol
DrugBank
Sulphofurazole
DrugBank
sulfafurazole
KEGG_DRUG
sulfafurazolum
ChemIDplus
Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV.
-1
0.000548579903
0.0
KEGG:C05359
PMID:21614077
Wikipedia:Electron
electron
chebi_ontology
Elektron
beta
beta(-)
beta-particle
e
e(-)
e-
negatron
CHEBI:10545
electron
PMID:21614077
Europe PMC
electron
ChEBI
electron
IUPAC
electron
KEGG_COMPOUND
Elektron
ChEBI
beta
IUPAC
beta(-)
ChEBI
beta-particle
IUPAC
e
IUPAC
e(-)
UniProt
e-
KEGG_COMPOUND
negatron
IUPAC
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
CDAISMWEOUEBRE-CDRYSYESSA-N
180.15588
180.06339
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CHEBI:26614
Beilstein:2206312
CAS:488-59-5
Gmelin:561300
KEGG:C06153
PMID:24352657
Reaxys:2206312
scyllo-Inositol
scyllo-inositol
chebi_ontology
(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
1,3,5/2,4,6-cyclohexanehexol
Cocositol
Quercinitol
Scyllitol
CHEBI:10642
scyllo-inositol
Beilstein:2206312
Beilstein
CAS:488-59-5
ChemIDplus
CAS:488-59-5
KEGG COMPOUND
CAS:488-59-5
NIST Chemistry WebBook
Gmelin:561300
Gmelin
PMID:24352657
Europe PMC
Reaxys:2206312
Reaxys
scyllo-Inositol
KEGG_COMPOUND
scyllo-inositol
IUPAC
scyllo-inositol
UniProt
(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
IUPAC
1,3,5/2,4,6-cyclohexanehexol
IUPAC
Cocositol
NIST_Chemistry_WebBook
Quercinitol
ChemIDplus
Scyllitol
ChemIDplus
An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin.
PMID:26717596
chebi_ontology
CHEBI:130181
calmodulin antagonist
PMID:26717596
Europe PMC
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
chebi_ontology
Mycoplasma genitalium metabolites
CHEBI:131604
Mycoplasma genitalium metabolite
Mycoplasma genitalium metabolites
ChEBI
A carboxylic acid anion resulting from the deprotonation of the carboxy group of a dicarboxylic acid monoester.
chebi_ontology
CHEBI:131605
dicarboxylic acid monoester(1-)
An echinocandin initially isolated as a very minor bioactive fermentation product of Glarea lozoyensis (originally known as Zalerion arboricola). Subsequent random mutagenesis work and optimisation of the fermentation medium permitted the industrial production of pneumocandin B0, which is used as the starting point for the synthesis of the antifungal drug caspofungin.
0
C50H80N8O17
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25-,26+,27+,30+,31-,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1
DQXPFAADCTZLNL-FXDJFZINSA-N
1065.216
1064.56414
[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](O)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CC(N)=O)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H]
CAS:135575-42-7
PMID:24086376
PMID:24270605
PMID:25527531
Reaxys:9316734
Wikipedia:Pneumocandin_Bo
(10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
chebi_ontology
L 688,786
L-688,786
L-688786
pneumocandin B(0)
pneumocardin B(0)
CHEBI:131609
pneumocandin B0
CAS:135575-42-7
ChemIDplus
PMID:24086376
Europe PMC
PMID:24270605
Europe PMC
PMID:25527531
Europe PMC
Reaxys:9316734
Reaxys
(10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
IUPAC
L 688,786
ChemIDplus
L-688,786
ChemIDplus
L-688786
ChemIDplus
pneumocandin B(0)
ChemIDplus
pneumocardin B(0)
ChemIDplus
Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents.
-1
CHO3R
61.017
60.99257
O*C([O-])=O
chebi_ontology
a hydroxy polyunsaturated fatty acid
hydroxy PUFA
hydroxy polyunsaturated fatty acid anions
CHEBI:131871
hydroxy polyunsaturated fatty acid anion
a hydroxy polyunsaturated fatty acid
UniProt
hydroxy PUFA
SUBMITTER
hydroxy polyunsaturated fatty acid anions
ChEBI
A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens.
chebi_ontology
dicarboxylic acids and derivatives
CHEBI:131927
dicarboxylic acids and O-substituted derivatives
dicarboxylic acids and derivatives
ChEBI
Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group.
chebi_ontology
hydroxyquinones
CHEBI:132130
hydroxyquinone
hydroxyquinones
ChEBI
A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring.
chebi_ontology
CHEBI:132142
1,4-naphthoquinones
Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group.
Wikipedia:Hydroxynaphthoquinone
chebi_ontology
hydroxynaphthoquinones
CHEBI:132155
hydroxynaphthoquinone
hydroxynaphthoquinones
ChEBI
Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group.
chebi_ontology
hydroxy-1,4-naphthoquinones
CHEBI:132157
hydroxy-1,4-naphthoquinone
hydroxy-1,4-naphthoquinones
ChEBI
Any aromatic amide obtained by acylation of aniline.
0
C7H6NOR
120.12860
120.04494
[*]C(=O)Nc1ccccc1
KEGG:C01402
PMID:23535982
PMID:23968552
PMID:24273122
PMID:6205897
chebi_ontology
N-phenyl amide
N-phenyl amides
an anilide
CHEBI:13248
anilide
PMID:23535982
Europe PMC
PMID:23968552
Europe PMC
PMID:24273122
Europe PMC
PMID:6205897
Europe PMC
N-phenyl amide
ChEBI
N-phenyl amides
ChEBI
an anilide
UniProt
A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties.
Wikipedia:Bleach
chebi_ontology
CHEBI:132717
bleaching agent
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of oxytetracycline; major species at pH 7.3.
0
C22H24N2O9
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
IWVCMVBTMGNXQD-PXOLEDIWSA-N
460.435
460.14818
[C@@]12([C@](C(=C3C(C=4C(=CC=CC4[C@@]([C@]3([C@@H]1O)[H])(C)O)O)=O)O)(C(C(C(N)=O)=C([C@H]2[NH+](C)C)[O-])=O)O)[H]
MetaCyc:CPD-19255
(1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
chebi_ontology
oxytetracycline
CHEBI:133011
oxytetracycline zwitterion
(1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
IUPAC
oxytetracycline
UniProt
Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives.
chebi_ontology
chromenochromenes
CHEBI:133135
chromenochromene
chromenochromenes
ChEBI
An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).
-1
C22H22ClN2O8
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p-1/t7-,8-,15-,21-,22-/m0/s1
CYDMQBQPVICBEU-XRNKAMNCSA-M
477.872
477.10702
C1=CC(=C2C(=C1Cl)[C@@]([C@@]3(C(C2=O)=C([C@]4([C@@](C3)([C@@H](C(=C(C4=O)C(N)=O)[O-])[NH+](C)C)[H])O)O)[H])(C)O)[O-]
MetaCyc:CPD-19258
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
chebi_ontology
7-chlorotetracycline
CHEBI:133598
chlortetracycline(1-)
(5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
IUPAC
7-chlorotetracycline
UniProt
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.
0
C12H12N4O3
InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
CULUWZNBISUWAS-UHFFFAOYSA-N
260.249
260.09094
C1=C(C=CC=C1)CNC(CN2C(=NC=C2)[N+]([O-])=O)=O
Beilstein:551486
CAS:22994-85-0
Drug_Central:322
KEGG:D02489
PMID:26760092
PMID:26760093
PMID:26760094
PMID:26760095
PMID:26974551
PMID:26982179
PMID:27001816
PMID:27067322
PMID:27158908
PMID:27161638
PMID:27223650
PMID:27246447
PMID:27376278
PMID:27487264
PMID:27488437
PMID:27550362
PMID:27619190
PMID:27688600
Reaxys:551486
Wikipedia:Benznidazole
N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide
chebi_ontology
2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide
N-Benzyl-2-nitroimidazol-1-yl-acetamide
N-Benzyl-2-nitroimidazole-1-acetamide
benznidazol
benznidazole
benznidazolum
CHEBI:133833
benznidazole
Beilstein:551486
ChemIDplus
CAS:22994-85-0
ChemIDplus
CAS:22994-85-0
KEGG DRUG
Drug_Central:322
DrugCentral
PMID:26760092
Europe PMC
PMID:26760093
Europe PMC
PMID:26760094
Europe PMC
PMID:26760095
Europe PMC
PMID:26974551
Europe PMC
PMID:26982179
Europe PMC
PMID:27001816
Europe PMC
PMID:27067322
Europe PMC
PMID:27158908
Europe PMC
PMID:27161638
Europe PMC
PMID:27223650
Europe PMC
PMID:27246447
Europe PMC
PMID:27376278
Europe PMC
PMID:27487264
Europe PMC
PMID:27488437
Europe PMC
PMID:27550362
Europe PMC
PMID:27619190
Europe PMC
PMID:27688600
Europe PMC
Reaxys:551486
Reaxys
N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide
IUPAC
2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide
ChemIDplus
N-Benzyl-2-nitroimidazol-1-yl-acetamide
ChemIDplus
N-Benzyl-2-nitroimidazole-1-acetamide
ChemIDplus
benznidazol
ChemIDplus
benznidazole
ChemIDplus
benznidazole
KEGG_DRUG
benznidazolum
ChemIDplus
Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.
Wikipedia:Volatile_organic_compound
chebi_ontology
VOC
VOCs
volatile organic compounds
CHEBI:134179
volatile organic compound
VOC
ChEBI
VOCs
ChEBI
volatile organic compounds
ChEBI
0
C15H24N4O6S2
InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
AVAACINZEOAHHE-VFZPANTDSA-N
420.507
420.11373
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)CNS(N)(=O)=O)=C(N2C1=O)C(O)=O
CAS:148016-81-3
Drug_Central:4149
HMDB:HMDB0041883
chebi_ontology
doribax
doripenem hydrate
CHEBI:135928
doripenem
CAS:148016-81-3
DrugCentral
Drug_Central:4149
DrugCentral
doribax
DrugCentral
doripenem hydrate
DrugCentral
A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.
glycols
chebi_ontology
Glykol
CHEBI:13643
glycol
glycols
IUPAC
Glykol
ChEBI
Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds.
0
CHNO2R2
59.024
59.00073
C(*)(=[N+](O)[O-])*
chebi_ontology
aci-nitro compounds
oxime N-oxide
oxime N-oxides
CHEBI:136622
aci-nitro compound
aci-nitro compounds
ChEBI
oxime N-oxide
ChEBI
oxime N-oxides
ChEBI
Any inhibitor of S100 calcium-binding protein B.
Wikipedia:S100B
chebi_ontology
S100 calcium-binding protein B inhibitors
S100B inhibitor
S100B inhibitors
CHEBI:136651
S100 calcium-binding protein B inhibitor
S100 calcium-binding protein B inhibitors
ChEBI
S100B inhibitor
ChEBI
S100B inhibitors
ChEBI
A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent.
PMID:26449612
chebi_ontology
pro-agents
proagent
proagents
CHEBI:136859
pro-agent
PMID:26449612
Europe PMC
pro-agents
ChEBI
proagent
ChEBI
proagents
ChEBI
An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3.
+1
H2NR2
16.023
16.01872
*[NH+](*)[H]
MetaCyc:Secondary-Amines
chebi_ontology
a secondary amine
secondary amine(1+)
CHEBI:137419
secondary ammonium ion
a secondary amine
UniProt
secondary amine(1+)
ChEBI
An aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3.
-1
C7H6NO3
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)/p-1
WUBBRNOQWQTFEX-UHFFFAOYSA-M
152.128
152.03532
C1=C(N)C=C(O)C(C([O-])=O)=C1
MetaCyc:CPD-8817
PMID:23118010
Reaxys:3906055
chebi_ontology
4-aminosalicylate
CHEBI:137598
4-aminosalicylate(1-)
PMID:23118010
SUBMITTER
Reaxys:3906055
Reaxys
4-aminosalicylate
UniProt
An organic cation obtained by protonation of the amino group of any tertiary amino compound.
+1
HNR3
15.015
15.01090
[NH+](*)(*)*
chebi_ontology
a tertiary amine
tertiary amine(1+)
tertiary ammonium ions
CHEBI:137982
tertiary ammonium ion
a tertiary amine
UniProt
tertiary amine(1+)
ChEBI
tertiary ammonium ions
ChEBI
Any compound that can disrupt the functions of the endocrine (hormone) system
PMID:27929035
PMID:28356401
PMID:28526231
Wikipedia:Endocrine_disruptor
chebi_ontology
endocrine disrupting chemical
endocrine disrupting chemicals
endocrine disrupting compound
endocrine disrupting compounds
endocrine disruptors
endocrine-disrupting chemical
endocrine-disrupting chemicals
hormonally active agent
hormonally active agents
CHEBI:138015
endocrine disruptor
PMID:27929035
Europe PMC
PMID:28356401
Europe PMC
PMID:28526231
Europe PMC
endocrine disrupting chemical
ChEBI
endocrine disrupting chemicals
ChEBI
endocrine disrupting compound
ChEBI
endocrine disrupting compounds
ChEBI
endocrine disruptors
ChEBI
endocrine-disrupting chemical
ChEBI
endocrine-disrupting chemicals
ChEBI
hormonally active agent
ChEBI
hormonally active agents
ChEBI
A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water.
Wikipedia:Mineral_acid
chebi_ontology
inorganic acids
mineral acid
mineral acids
CHEBI:138103
inorganic acid
inorganic acids
ChEBI
mineral acid
ChEBI
mineral acids
ChEBI
Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa).
Wikipedia:https://en.wikipedia.org/wiki/Gas
chebi_ontology
gas molecular entities
gaseous molecular entities
gaseous molecular entity
CHEBI:138675
gas molecular entity
gas molecular entities
ChEBI
gaseous molecular entities
ChEBI
gaseous molecular entity
ChEBI
A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry.
0
C13H11NO5
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
KYGZCKSPAKDVKC-UHFFFAOYSA-N
261.23010
261.06372
CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12
CHEBI:44731
CHEBI:7848
Beilstein:620635
CAS:14698-29-4
Drug_Central:2024
Gmelin:2609419
KEGG:C11342
KEGG:D02301
LINCS:LSM-5811
PDBeChem:OXI
PMID:1245092
PMID:1650428
PMID:19596082
PMID:20151406
PMID:22670590
PMID:23353085
PMID:23773949
PMID:23816421
PMID:26678217
PMID:26920300
PMID:29438107
PMID:4616804
Patent:US3287458
Reaxys:620635
VSDB:1879
Wikipedia:Oxolinic_acid
5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
chebi_ontology
1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid
1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid
5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid
OA
acide oxolinique
acido oxolinico
acidum oxolinicum
oxolinic acid
CHEBI:138856
oxolinic acid
Beilstein:620635
Beilstein
CAS:14698-29-4
ChemIDplus
CAS:14698-29-4
KEGG COMPOUND
Drug_Central:2024
DrugCentral
Gmelin:2609419
Gmelin
PMID:1245092
Europe PMC
PMID:1650428
Europe PMC
PMID:19596082
Europe PMC
PMID:20151406
Europe PMC
PMID:22670590
Europe PMC
PMID:23353085
Europe PMC
PMID:23773949
Europe PMC
PMID:23816421
Europe PMC
PMID:26678217
Europe PMC
PMID:26920300
Europe PMC
PMID:29438107
Europe PMC
PMID:4616804
Europe PMC
Reaxys:620635
Reaxys
5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
IUPAC
1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid
ChemIDplus
1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid
ChemIDplus
5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid
ChemIDplus
OA
KEGG_DRUG
acide oxolinique
ChemIDplus
acido oxolinico
WHO_MedNet
acidum oxolinicum
ChemIDplus
oxolinic acid
KEGG_DRUG
oxolinic acid
WHO_MedNet
-1
CH2NO2
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
KXDHJXZQYSOELW-UHFFFAOYSA-M
60.03212
60.00910
NC([O-])=O
Beilstein:3903503
CAS:302-11-4
Gmelin:239604
carbamate
chebi_ontology
Carbamat
Karbamat
carbamate ion
carbamic acid, ion(1-)
CHEBI:13941
carbamate
Beilstein:3903503
Beilstein
CAS:302-11-4
ChemIDplus
Gmelin:239604
Gmelin
carbamate
IUPAC
carbamate
UniProt
Carbamat
ChEBI
Karbamat
ChEBI
carbamate ion
ChemIDplus
carbamic acid, ion(1-)
ChemIDplus
A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound.
chebi_ontology
sensitisers
sensitizer
sensitizers
CHEBI:139492
sensitiser
sensitisers
ChEBI
sensitizer
ChEBI
sensitizers
ChEBI
An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9.
Wikipedia:Enoyl-acyl_carrier_protein_reductase
chebi_ontology
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors
EC 1.3.1.9 inhibitor
EC 1.3.1.9 inhibitors
ENR inhibitor
ENR inhibitors
NADH-enoyl acyl carrier protein reductase inhibitor
NADH-enoyl acyl carrier protein reductase inhibitors
NADH-specific enoyl-ACP reductase inhibitor
NADH-specific enoyl-ACP reductase inhibitors
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors
enoyl-ACP reductase inhibitor
enoyl-ACP reductase inhibitors
enoyl-[acyl carrier protein] reductase inhibitor
enoyl-[acyl carrier protein] reductase inhibitors
CHEBI:139512
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors
ChEBI
EC 1.3.1.9 inhibitor
ChEBI
EC 1.3.1.9 inhibitors
ChEBI
ENR inhibitor
ChEBI
ENR inhibitors
ChEBI
NADH-enoyl acyl carrier protein reductase inhibitor
ChEBI
NADH-enoyl acyl carrier protein reductase inhibitors
ChEBI
NADH-specific enoyl-ACP reductase inhibitor
ChEBI
NADH-specific enoyl-ACP reductase inhibitors
ChEBI
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor
ChEBI
acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors
ChEBI
enoyl-ACP reductase inhibitor
ChEBI
enoyl-ACP reductase inhibitors
ChEBI
enoyl-[acyl carrier protein] reductase inhibitor
ChEBI
enoyl-[acyl carrier protein] reductase inhibitors
ChEBI
An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.
PMID:15326516
PMID:19908854
PMID:20382022
PMID:23295224
chebi_ontology
alpha-hydroxy ketones
alpha-hydroxy-ketone
alpha-hydroxy-ketones
alpha-hydroxyketone
alpha-hydroxyketones
CHEBI:139588
alpha-hydroxy ketone
PMID:15326516
Europe PMC
PMID:19908854
Europe PMC
PMID:20382022
Europe PMC
PMID:23295224
Europe PMC
alpha-hydroxy ketones
ChEBI
alpha-hydroxy-ketone
ChEBI
alpha-hydroxy-ketones
ChEBI
alpha-hydroxyketone
ChEBI
alpha-hydroxyketones
ChEBI
An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.
0
C2HO2R3
57.028
56.99765
C(C(=O)*)(O)(*)*
chebi_ontology
tertiary alpha-hydroxy ketones
tertiary alpha-hydroxy-ketone
tertiary alpha-hydroxy-ketones
tertiary alpha-hydroxyketone
tertiary alpha-hydroxyketones
CHEBI:139592
tertiary alpha-hydroxy ketone
tertiary alpha-hydroxy ketones
ChEBI
tertiary alpha-hydroxy-ketone
ChEBI
tertiary alpha-hydroxy-ketones
ChEBI
tertiary alpha-hydroxyketone
ChEBI
tertiary alpha-hydroxyketones
ChEBI
Any antimicrobial agent whose activity is dependent on the presence of calcium ions.
PMID:18489906
PMID:22711659
PMID:29108098
PMID:29434326
chebi_ontology
Ca(2+)-dependent antibiotic
Ca(2+)-dependent antibiotics
Ca-dependent antibiotic
Ca-dependent antibiotics
calcium-dependent antibiotic
CHEBI:140190
calcium-dependent antibiotics
PMID:18489906
Europe PMC
PMID:22711659
Europe PMC
PMID:29108098
Europe PMC
PMID:29434326
Europe PMC
Ca(2+)-dependent antibiotic
ChEBI
Ca(2+)-dependent antibiotics
ChEBI
Ca-dependent antibiotic
ChEBI
Ca-dependent antibiotics
ChEBI
calcium-dependent antibiotic
ChEBI
A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
0
CHNOR2
43.025
43.00581
N(C(*)=O)(*)[H]
chebi_ontology
secondary carboxamides
CHEBI:140325
secondary carboxamide
secondary carboxamides
ChEBI
A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2).
0
CNOR3
42.017
41.99799
N(C(*)=O)(*)*
chebi_ontology
tertiary carboxamides
CHEBI:140326
tertiary carboxamide
tertiary carboxamides
ChEBI
Any polyunsaturated fatty acid carrying one or more hydroxy substituents.
chebi_ontology
CHEBI:140345
hydroxy polyunsaturated fatty acid
Any pathway inhibitor that inhibits the Hedgehog signalling pathway.
Wikipedia:Hedgehog_pathway_inhibitors
chebi_ontology
Hedgehog pathway inhibitor
Hedgehog pathway inhibitors
Hedgehog signaling pathway inhibitors
CHEBI:140921
Hedgehog signaling pathway inhibitor
Hedgehog pathway inhibitor
ChEBI
Hedgehog pathway inhibitors
ChEBI
Hedgehog signaling pathway inhibitors
ChEBI
An inhibitor of any of the glioma-associated oncogene (GLI) proteins.
chebi_ontology
GLI inhibitor
GLI inhibitors
glioma-associated oncogene inhibitors
CHEBI:140922
glioma-associated oncogene inhibitor
GLI inhibitor
ChEBI
GLI inhibitors
ChEBI
glioma-associated oncogene inhibitors
ChEBI
A mitochondrial cytochrome-bc1 complex inhibitor that acts at the Quinone 'outer' (Qo) binding site of the cytochrome-bc1 complex.
Wikipedia:QoI
chebi_ontology
QOI
QOIs
Qo inhibitor
Qo inhibitors
quinone outside inhibitors
CHEBI:141153
quinone outside inhibitor
QOI
ChEBI
QOIs
ChEBI
Qo inhibitor
ChEBI
Qo inhibitors
ChEBI
quinone outside inhibitors
ChEBI
An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers.
0
CNOR5
42.017
41.99799
N(C(O*)(*)*)(*)*
chebi_ontology
alpha-amino ether
alpha-amino ethers
hemiaminal ethers
CHEBI:141498
hemiaminal ether
alpha-amino ether
ChEBI
alpha-amino ethers
ChEBI
hemiaminal ethers
ChEBI
A organic ion resulting from the deprotonation of the hydroxy group of any oxime.
-1
CNO
42.017
41.99799
C(*)(=N[O-])*
oxime anion
chebi_ontology
oximate
oximates
oxime anions
CHEBI:142513
oxime anion
oxime anion
ChEBI
oximate
ChEBI
oximates
ChEBI
oxime anions
ChEBI
An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3.
+1
C29H40N5O8
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+1/t12-,14-,21-,29-/m0/s1
FPZLLRFZJZRHSY-HJYUBDRYSA-O
586.658
586.28714
C1(C(=C([C@H]([C@@]2(C[C@@]3(CC4=C(C=C(C(=C4C(C3=C([C@]12O)O)=O)O)NC(C[NH2+]C(C)(C)C)=O)N(C)C)[H])[H])[NH+](C)C)[O-])C(=O)N)=O
MetaCyc:CPD-19260
PMID:16128584
(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
chebi_ontology
tigecycline
CHEBI:142708
tigecycline(1+)
PMID:16128584
SUBMITTER
(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
IUPAC
tigecycline
UniProt
0
C21H17N2O7R5
409.370
409.10358
C12=C(C=C(C(=C1C(C=3[C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3O)=O)C(N)=O)[NH+](C)C)[H])*)(C2(*)*)[H])=O)O)*)*
chebi_ontology
a tetracycline
CHEBI:144644
a tetracycline zwitterion
a tetracycline
UniProt
Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature.
chebi_ontology
macropolylides
CHEBI:145555
macropolylide
macropolylides
ChEBI
A macropolylide which contains two ester linkages in one macrocyclic ring.
PMID:17446696
PMID:29624065
PMID:29671776
PMID:31247219
chebi_ontology
macrodiolides
CHEBI:145556
macrodiolide
PMID:17446696
Europe PMC
PMID:29624065
Europe PMC
PMID:29671776
Europe PMC
PMID:31247219
Europe PMC
macrodiolides
ChEBI
A macrolide in which the macrocyclic lactone ring includes an amide group.
PMID:11678663
PMID:12227772
PMID:15248618
PMID:17378533
PMID:31226284
chebi_ontology
macrolide lactams
CHEBI:145565
macrolide lactam
PMID:11678663
Europe PMC
PMID:12227772
Europe PMC
PMID:15248618
Europe PMC
PMID:17378533
Europe PMC
PMID:31226284
Europe PMC
macrolide lactams
ChEBI
A monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3.
-1
C26H43O9
InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
MINDHVHHQZYEEK-HBBNESRFSA-M
499.622
499.29126
[C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O
9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate
chebi_ontology
CHEBI:145790
mupirocin(1-)
9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate
IUPAC
A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups.
+1
C14H25N2O7
InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+1/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
UNFWWIHTNXNPBV-WXKVUWSESA-O
333.360
333.16563
[C@@H]12[C@H](O[C@@]3(O[C@H](C)CC([C@@]3(O1)O)=O)[H])[C@H]([C@H]([NH2+]C)[C@@H]([C@@H]2NC)O)O
chebi_ontology
spectinomycin
CHEBI:146260
spectinomycin(1+)
spectinomycin
UniProt
Any organic heterotricyclic compound whose core skeleton consists of a benzodioxin ring that is ortho-fused to a pyran ring.
chebi_ontology
pyranobenzodioxins
CHEBI:146295
pyranobenzodioxin
pyranobenzodioxins
ChEBI
Any agent that induces nausea and vomiting.
chebi_ontology
emetics
CHEBI:149552
emetic
emetics
ChEBI
Any antiviral agent which inhibits the activity of coronaviruses.
Wikipedia:Coronavirus
anticoronaviral agent
chebi_ontology
anti-coronaviral agent
anti-coronaviral agents
anti-coronavirus agent
anti-coronavirus agents
anticoronaviral agents
anticoronaviral drug
anticoronaviral drugs
anticoronavirus agent
anticoronavirus agents
anticoronviral agent
anticoronviral agents
CHEBI:149553
anticoronaviral agent
anticoronaviral agent
ChEBI
anti-coronaviral agent
ChEBI
anti-coronaviral agents
ChEBI
anti-coronavirus agent
ChEBI
anti-coronavirus agents
ChEBI
anticoronaviral agents
ChEBI
anticoronaviral drug
ChEBI
anticoronaviral drugs
ChEBI
anticoronavirus agent
ChEBI
anticoronavirus agents
ChEBI
anticoronviral agent
ChEBI
anticoronviral agents
ChEBI
Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.
0
C29H39N5O8
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
FPZLLRFZJZRHSY-HJYUBDRYSA-N
585.64870
585.27986
[H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
CHEBI:29696
CHEBI:473970
CAS:220620-09-7
DrugBank:DB00560
Drug_Central:2661
KEGG:C12012
KEGG:D01079
PMID:17194827
PMID:17210772
PMID:17220399
PMID:17307973
PMID:17353238
PMID:17353249
Reaxys:8379453
(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
chebi_ontology
(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
CHEBI:149836
tigecycline
CAS:220620-09-7
ChemIDplus
CAS:220620-09-7
KEGG COMPOUND
Drug_Central:2661
DrugCentral
PMID:17194827
ChEMBL
PMID:17210772
ChEMBL
PMID:17220399
ChEMBL
PMID:17307973
ChEMBL
PMID:17353238
ChEMBL
PMID:17353249
ChEMBL
Reaxys:8379453
Reaxys
(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC
(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
ChemIDplus
A molecular entity that can transfer an electron to another molecular entity.
electron donor
chebi_ontology
Elektronendonator
donneur d'electron
CHEBI:15022
electron donor
electron donor
IUPAC
Elektronendonator
ChEBI
donneur d'electron
IUPAC
A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide.
-2
S
InChI=1S/S/q-2
UCKMPCXJQFINFW-UHFFFAOYSA-N
32.06600
31.97317
[S--]
CAS:18496-25-8
UM-BBD_compID:c0569
sulfanediide
sulfide(2-)
chebi_ontology
S(2-)
Sulfide
sulphide
CHEBI:15138
sulfide(2-)
CAS:18496-25-8
ChemIDplus
UM-BBD_compID:c0569
UM-BBD
sulfanediide
IUPAC
sulfide(2-)
IUPAC
S(2-)
IUPAC
Sulfide
ChemIDplus
sulphide
ChEBI
A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity.
CHEBI:13699
CHEBI:2377
KEGG:C00028
KEGG:C16722
Acceptor
chebi_ontology
A
Akzeptor
Hydrogen-acceptor
Oxidized donor
accepteur
CHEBI:15339
acceptor
Acceptor
KEGG_COMPOUND
A
KEGG_COMPOUND
Akzeptor
ChEBI
Hydrogen-acceptor
KEGG_COMPOUND
Oxidized donor
KEGG_COMPOUND
accepteur
ChEBI
A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
+1
C5H14NO
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
OEYIOHPDSNJKLS-UHFFFAOYSA-N
104.17080
104.10699
C[N+](C)(C)CCO
CHEBI:13985
CHEBI:23212
CHEBI:3665
CHEBI:41524
Beilstein:1736748
CAS:62-49-7
DrugBank:DB00122
Drug_Central:3097
ECMDB:ECMDB00097
Gmelin:324597
HMDB:HMDB0000097
KEGG:C00114
KEGG:D07690
KNApSAcK:C00007298
MetaCyc:CHOLINE
PDBeChem:CHT
PMID:10930630
PMID:12826235
PMID:12946691
PMID:14972364
PMID:16210714
PMID:17087106
PMID:17283071
PMID:17344490
PMID:18204095
PMID:18230680
PMID:18786517
PMID:18786520
PMID:19246089
PMID:20038853
PMID:20446114
PMID:22770225
PMID:22961562
PMID:23095202
PMID:23616508
PMID:23637565
PMID:23733158
PMID:6420466
PMID:7590654
PMID:9517478
Reaxys:1736748
Wikipedia:Choline
YMDB:YMDB00227
2-hydroxy-N,N,N-trimethylethanaminium
Choline
choline
chebi_ontology
Bilineurine
CHOLINE ION
N,N,N-trimethylethanol-ammonium
N-trimethylethanolamine
trimethylethanolamine
CHEBI:15354
choline
Beilstein:1736748
Beilstein
CAS:62-49-7
ChemIDplus
CAS:62-49-7
KEGG COMPOUND
Drug_Central:3097
DrugCentral
Gmelin:324597
Gmelin
PMID:10930630
Europe PMC
PMID:12826235
Europe PMC
PMID:12946691
Europe PMC
PMID:14972364
Europe PMC
PMID:16210714
Europe PMC
PMID:17087106
Europe PMC
PMID:17283071
Europe PMC
PMID:17344490
Europe PMC
PMID:18204095
Europe PMC
PMID:18230680
Europe PMC
PMID:18786517
Europe PMC
PMID:18786520
Europe PMC
PMID:19246089
Europe PMC
PMID:20038853
Europe PMC
PMID:20446114
Europe PMC
PMID:22770225
Europe PMC
PMID:22961562
Europe PMC
PMID:23095202
Europe PMC
PMID:23616508
Europe PMC
PMID:23637565
Europe PMC
PMID:23733158
Europe PMC
PMID:6420466
Europe PMC
PMID:7590654
Europe PMC
PMID:9517478
Europe PMC
Reaxys:1736748
Reaxys
2-hydroxy-N,N,N-trimethylethanaminium
IUPAC
Choline
KEGG_COMPOUND
choline
UniProt
Bilineurine
KEGG_COMPOUND
CHOLINE ION
PDBeChem
N,N,N-trimethylethanol-ammonium
ChEBI
N-trimethylethanolamine
ChEBI
trimethylethanolamine
ChEBI
A simple monocarboxylic acid containing two carbons.
0
C2H4O2
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
QTBSBXVTEAMEQO-UHFFFAOYSA-N
60.05200
60.02113
CC(O)=O
CHEBI:22169
CHEBI:2387
CHEBI:40486
Beilstein:506007
CAS:64-19-7
Drug_Central:4211
Gmelin:1380
HMDB:HMDB0000042
KEGG:C00033
KEGG:D00010
KNApSAcK:C00001176
LIPID_MAPS_instance:LMFA01010002
MetaCyc:ACET
PDBeChem:ACT
PDBeChem:ACY
PMID:12005138
PMID:15107950
PMID:16630552
PMID:16774200
PMID:17190852
PMID:19416101
PMID:19469536
PMID:22153255
PMID:22173419
PPDB:1333
Reaxys:506007
Wikipedia:Acetic_acid
ACETIC ACID
Acetic acid
acetic acid
chebi_ontology
AcOH
CH3-COOH
CH3CO2H
E 260
E-260
E260
Essigsaeure
Ethanoic acid
Ethylic acid
HOAc
INS No. 260
MeCO2H
MeCOOH
Methanecarboxylic acid
acide acetique
ethoic acid
CHEBI:15366
acetic acid
Beilstein:506007
Beilstein
CAS:64-19-7
ChemIDplus
CAS:64-19-7
KEGG COMPOUND
CAS:64-19-7
NIST Chemistry WebBook
Drug_Central:4211
DrugCentral
Gmelin:1380
Gmelin
LIPID_MAPS_instance:LMFA01010002
LIPID MAPS
PMID:12005138
Europe PMC
PMID:15107950
Europe PMC
PMID:16630552
Europe PMC
PMID:16774200
Europe PMC
PMID:17190852
Europe PMC
PMID:19416101
Europe PMC
PMID:19469536
Europe PMC
PMID:22153255
Europe PMC
PMID:22173419
Europe PMC
Reaxys:506007
Reaxys
ACETIC ACID
PDBeChem
Acetic acid
KEGG_COMPOUND
acetic acid
IUPAC
AcOH
ChEBI
CH3-COOH
IUPAC
CH3CO2H
ChEBI
E 260
ChEBI
E-260
ChEBI
E260
ChEBI
Essigsaeure
ChEBI
Ethanoic acid
KEGG_COMPOUND
Ethylic acid
ChemIDplus
HOAc
ChEBI
INS No. 260
ChEBI
MeCO2H
ChEBI
MeCOOH
ChEBI
Methanecarboxylic acid
ChemIDplus
acide acetique
ChemIDplus
ethoic acid
ChEBI
A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides.
CHEBI:13723
CHEBI:22220
CHEBI:2445
CAS:1402-38-6
KEGG:C01775
Actinomycin
chebi_ontology
actinomycins
CHEBI:15369
actinomycin
CAS:1402-38-6
ChemIDplus
CAS:1402-38-6
KEGG COMPOUND
Actinomycin
KEGG_COMPOUND
actinomycins
ChEBI
Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.
0
C2H4O2(CH2O)n
CHEBI:13755
CHEBI:22305
CHEBI:2561
KEGG:C01370
Wikipedia:Aldose
Aldose
chebi_ontology
aldoses
an aldose
CHEBI:15693
aldose
Aldose
KEGG_COMPOUND
aldoses
ChEBI
an aldose
UniProt
Any alpha-amino acid having L-configuration at the alpha-carbon.
0
C2H4NO2R
74.05870
74.02420
N[C@@H]([*])C(O)=O
CHEBI:13072
CHEBI:13243
CHEBI:13797
CHEBI:21224
CHEBI:6175
KEGG:C00151
L-alpha-amino acid
L-alpha-amino acids
chebi_ontology
L-2-Amino acid
L-Amino acid
L-alpha-amino acids
CHEBI:15705
L-alpha-amino acid
L-alpha-amino acid
IUPAC
L-alpha-amino acids
IUPAC
L-2-Amino acid
KEGG_COMPOUND
L-Amino acid
KEGG_COMPOUND
L-alpha-amino acids
ChEBI
A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.
0
CH3OR
31.034
31.01839
*C(O)([H])[H]
CHEBI:13676
CHEBI:14887
CHEBI:26262
CHEBI:57489
CHEBI:8406
KEGG:C00226
Primary alcohol
chebi_ontology
1-Alcohol
a primary alcohol
primary alcohols
CHEBI:15734
primary alcohol
Primary alcohol
KEGG_COMPOUND
1-Alcohol
KEGG_COMPOUND
a primary alcohol
UniProt
primary alcohols
ChEBI
A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.
-1
CHO2
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
BDAGIHXWWSANSR-UHFFFAOYSA-M
45.01744
44.99820
[H]C([O-])=O
CHEBI:14276
CHEBI:24081
Beilstein:1901205
CAS:71-47-6
Gmelin:1006
HMDB:HMDB0000142
KEGG:C00058
MetaCyc:FORMATE
PMID:17190852
PMID:3946945
Reaxys:1901205
UM-BBD_compID:c0106
Wikipedia:Formate
formate
chebi_ontology
HCO2 anion
aminate
formiate
formic acid, ion(1-)
formylate
hydrogen carboxylate
methanoate
CHEBI:15740
formate
Beilstein:1901205
Beilstein
CAS:71-47-6
ChemIDplus
CAS:71-47-6
NIST Chemistry WebBook
Gmelin:1006
Gmelin
PMID:17190852
Europe PMC
PMID:3946945
Europe PMC
Reaxys:1901205
Reaxys
UM-BBD_compID:c0106
UM-BBD
formate
IUPAC
formate
UniProt
HCO2 anion
NIST_Chemistry_WebBook
aminate
ChEBI
formiate
ChEBI
formic acid, ion(1-)
ChemIDplus
formylate
ChEBI
hydrogen carboxylate
ChEBI
methanoate
ChEBI
A peptide containing ten or more amino acid residues.
C4H6N2O3R2(C2H2NOR)n
CHEBI:14860
CHEBI:8314
KEGG:C00403
Polypeptide
polypeptides
chebi_ontology
Polypeptid
polipeptido
CHEBI:15841
polypeptide
Polypeptide
KEGG_COMPOUND
polypeptides
IUPAC
Polypeptid
ChEBI
polipeptido
ChEBI
A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.
0
C6H5NO2
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
PVNIIMVLHYAWGP-UHFFFAOYSA-N
123.10944
123.03203
OC(=O)c1cccnc1
CHEBI:25538
CHEBI:44319
CHEBI:7559
AGR:IND607088605
Beilstein:109591
CAS:59-67-6
Chemspider:913
DrugBank:DB00627
Drug_Central:2835
FooDB:FDB001014
Gmelin:3340
HMDB:HMDB0001488
KEGG:C00253
KEGG:D00049
KNApSAcK:C00000208
LINCS:LSM-4676
MetaCyc:NIACINE
PDBeChem:NIO
PMID:10540864
PMID:113218
PMID:12563315
PMID:12789870
PMID:135660
PMID:14550884
PMID:15037193
PMID:15183629
PMID:15205990
PMID:15311728
PMID:15627518
PMID:15651982
PMID:16018787
PMID:16172771
PMID:16322787
PMID:16400392
PMID:16449845
PMID:16767301
PMID:16877271
PMID:16945375
PMID:18037924
PMID:182198
PMID:186078
PMID:18993152
PMID:18996527
PMID:19369827
PMID:19592242
PMID:19678716
PMID:19779335
PMID:20979384
PMID:21632263
PMID:22116693
PMID:22155410
PMID:22229411
PMID:22366213
PMID:22458880
PMID:22770225
PMID:24029555
PMID:24568240
PMID:24675661
PMID:24848081
PMID:24975217
PMID:25040591
PMID:25241762
PMID:25429652
PMID:32954525
PMID:33273654
PMID:33932650
PMID:34066686
PMID:34085526
PMID:34117670
PMID:4033386
PMID:4259917
PMID:582105
PMID:699281
PMID:7217784
PMID:7581845
PMID:8306147
PMID:8423912
PMID:8679452
PMID:9107536
Reaxys:109591
Wikipedia:Niacin
NICOTINIC ACID
Nicotinic acid
nicotinic acid
pyridine-3-carboxylic acid
chebi_ontology
3-Pyridylcarboxylic acid
3-carboxylpyridine
3-carboxypyridine
3-pyridinecarboxylic acid
Niacin
Niacor
Niaspan
Nicotinsaure
Nikotinsaeure
P.P. factor
PP factor
acide nicotinique
acido nicotinico
acidum nicotinicum
anti-pellagra vitamin
beta-pyridinecarboxylic acid
m-pyridinecarboxylic acid
nicotinic acid
pellagra preventive factor
pyridine-beta-carboxylic acid
pyridine-carboxylique-3
vitamin B3
CHEBI:15940
nicotinic acid
AGR:IND607088605
Europe PMC
Beilstein:109591
Beilstein
CAS:59-67-6
ChemIDplus
CAS:59-67-6
KEGG COMPOUND
CAS:59-67-6
NIST Chemistry WebBook
Drug_Central:2835
DrugCentral
Gmelin:3340
Gmelin
PMID:10540864
Europe PMC
PMID:113218
Europe PMC
PMID:12563315
Europe PMC
PMID:12789870
Europe PMC
PMID:135660
Europe PMC
PMID:14550884
Europe PMC
PMID:15037193
Europe PMC
PMID:15183629
Europe PMC
PMID:15205990
Europe PMC
PMID:15311728
Europe PMC
PMID:15627518
Europe PMC
PMID:15651982
Europe PMC
PMID:16018787
Europe PMC
PMID:16172771
Europe PMC
PMID:16322787
Europe PMC
PMID:16400392
Europe PMC
PMID:16449845
Europe PMC
PMID:16767301
Europe PMC
PMID:16877271
Europe PMC
PMID:16945375
Europe PMC
PMID:18037924
Europe PMC
PMID:182198
Europe PMC
PMID:186078
Europe PMC
PMID:18993152
Europe PMC
PMID:18996527
Europe PMC
PMID:19369827
Europe PMC
PMID:19592242
Europe PMC
PMID:19678716
Europe PMC
PMID:19779335
Europe PMC
PMID:20979384
Europe PMC
PMID:21632263
Europe PMC
PMID:22116693
Europe PMC
PMID:22155410
Europe PMC
PMID:22229411
Europe PMC
PMID:22366213
Europe PMC
PMID:22458880
Europe PMC
PMID:22770225
Europe PMC
PMID:24029555
Europe PMC
PMID:24568240
Europe PMC
PMID:24675661
Europe PMC
PMID:24848081
Europe PMC
PMID:24975217
Europe PMC
PMID:25040591
Europe PMC
PMID:25241762
Europe PMC
PMID:25429652
Europe PMC
PMID:32954525
Europe PMC
PMID:33273654
Europe PMC
PMID:33932650
Europe PMC
PMID:34066686
Europe PMC
PMID:34085526
Europe PMC
PMID:34117670
Europe PMC
PMID:4033386
Europe PMC
PMID:4259917
Europe PMC
PMID:582105
Europe PMC
PMID:699281
Europe PMC
PMID:7217784
Europe PMC
PMID:7581845
Europe PMC
PMID:8306147
Europe PMC
PMID:8423912
Europe PMC
PMID:8679452
Europe PMC
PMID:9107536
Europe PMC
Reaxys:109591
Reaxys
NICOTINIC ACID
PDBeChem
Nicotinic acid
KEGG_COMPOUND
nicotinic acid
IUPAC
pyridine-3-carboxylic acid
IUPAC
3-Pyridylcarboxylic acid
HMDB
3-carboxylpyridine
ChemIDplus
3-carboxypyridine
NIST_Chemistry_WebBook
3-pyridinecarboxylic acid
KEGG_COMPOUND
Niacin
KEGG_COMPOUND
Niacor
KEGG_DRUG
Niaspan
KEGG_DRUG
Nicotinsaure
ChemIDplus
Nikotinsaeure
ChEBI
P.P. factor
NIST_Chemistry_WebBook
PP factor
NIST_Chemistry_WebBook
acide nicotinique
WHO_MedNet
acido nicotinico
WHO_MedNet
acidum nicotinicum
WHO_MedNet
anti-pellagra vitamin
NIST_Chemistry_WebBook
beta-pyridinecarboxylic acid
ChEBI
m-pyridinecarboxylic acid
NIST_Chemistry_WebBook
nicotinic acid
WHO_MedNet
pellagra preventive factor
NIST_Chemistry_WebBook
pyridine-beta-carboxylic acid
NIST_Chemistry_WebBook
pyridine-carboxylique-3
ChemIDplus
vitamin B3
ChEBI
A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues.
0
(C5H8O6PR)n.C10H17O10PR2
CHEBI:13672
CHEBI:14859
CHEBI:8312
KEGG:C00419
Polynucleotide
chebi_ontology
polynucleotides
CHEBI:15986
polynucleotide
Polynucleotide
KEGG_COMPOUND
polynucleotides
ChEBI
An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4.
0
C4H5N3O
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
OPTASPLRGRRNAP-UHFFFAOYSA-N
111.10212
111.04326
Nc1cc[nH]c(=O)n1
CHEBI:14066
CHEBI:23531
CHEBI:4072
CHEBI:41732
Beilstein:2637
CAS:71-30-7
Gmelin:82472
HMDB:HMDB0000630
KEGG:C00380
KNApSAcK:C00001498
MetaCyc:CYTOSINE
PDBeChem:CYT
PMID:14253484
PMID:22770225
PMID:7877593
Reaxys:2637
Wikipedia:Cytosine
4-aminopyrimidin-2(1H)-one
Cytosine
cytosine
chebi_ontology
4-amino-2(1H)-pyrimidinone
4-amino-2-hydroxypyrimidine
C
Cyt
Cytosin
Zytosin
CHEBI:16040
cytosine
Gmelin:82472
Gmelin
PMID:14253484
Europe PMC
PMID:22770225
Europe PMC
PMID:7877593
Europe PMC
Reaxys:2637
Reaxys
4-aminopyrimidin-2(1H)-one
IUPAC
Cytosine
KEGG_COMPOUND
cytosine
UniProt
4-amino-2(1H)-pyrimidinone
NIST_Chemistry_WebBook
4-amino-2-hydroxypyrimidine
NIST_Chemistry_WebBook
C
ChEBI
Cyt
CBN
Cytosin
ChEBI
Zytosin
ChEBI
Beilstein:2637
Beilstein
CAS:71-30-7
ChemIDplus
CAS:71-30-7
KEGG COMPOUND
CAS:71-30-7
NIST Chemistry WebBook
A monoatomic monoanion resulting from the addition of an electron to any halogen atom.
-1
X
0.0
0.0
[*-]
CHEBI:14384
CHEBI:5605
KEGG:C00462
halide ions
chebi_ontology
HX
Halide
a halide anion
halide anions
halide(1-)
halides
halogen anion
CHEBI:16042
halide anion
halide ions
IUPAC
HX
KEGG_COMPOUND
Halide
KEGG_COMPOUND
a halide anion
UniProt
halide anions
ChEBI
halide(1-)
ChEBI
halides
ChEBI
halogen anion
ChEBI
An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
0
H3N
InChI=1S/H3N/h1H3
QGZKDVFQNNGYKY-UHFFFAOYSA-N
17.03056
17.02655
[H]N([H])[H]
CHEBI:13405
CHEBI:13406
CHEBI:13407
CHEBI:13771
CHEBI:22533
CHEBI:44269
CHEBI:44284
CHEBI:44404
CHEBI:7434
Beilstein:3587154
CAS:7664-41-7
Drug_Central:4625
Gmelin:79
HMDB:HMDB0000051
KEGG:C00014
KEGG:D02916
KNApSAcK:C00007267
MetaCyc:AMMONIA
MolBase:930
PDBeChem:NH3
PMID:110589
PMID:11139349
PMID:11540049
PMID:11746427
PMID:11783653
PMID:13753780
PMID:14663195
PMID:15092448
PMID:15094021
PMID:15554424
PMID:15969015
PMID:16008360
PMID:16050680
PMID:16348008
PMID:16349403
PMID:16614889
PMID:16664306
PMID:16842901
PMID:17025297
PMID:17439666
PMID:17569513
PMID:17737668
PMID:18670398
PMID:22002069
PMID:22081570
PMID:22088435
PMID:22100291
PMID:22130175
PMID:22150211
PMID:22240068
PMID:22290316
PMID:22342082
PMID:22385337
PMID:22443779
PMID:22560242
Reaxys:3587154
Wikipedia:Ammonia
AMMONIA
Ammonia
ammonia
azane
chebi_ontology
Ammoniak
NH3
R-717
[NH3]
ammoniac
amoniaco
spirit of hartshorn
CHEBI:16134
ammonia
Beilstein:3587154
Beilstein
CAS:7664-41-7
ChemIDplus
CAS:7664-41-7
KEGG COMPOUND
CAS:7664-41-7
NIST Chemistry WebBook
Drug_Central:4625
DrugCentral
Gmelin:79
Gmelin
PMID:110589
Europe PMC
PMID:11139349
Europe PMC
PMID:11540049
Europe PMC
PMID:11746427
Europe PMC
PMID:11783653
Europe PMC
PMID:13753780
Europe PMC
PMID:14663195
Europe PMC
PMID:15092448
Europe PMC
PMID:15094021
Europe PMC
PMID:15554424
Europe PMC
PMID:15969015
Europe PMC
PMID:16008360
Europe PMC
PMID:16050680
Europe PMC
PMID:16348008
Europe PMC
PMID:16349403
Europe PMC
PMID:16614889
Europe PMC
PMID:16664306
Europe PMC
PMID:16842901
Europe PMC
PMID:17025297
Europe PMC
PMID:17439666
Europe PMC
PMID:17569513
Europe PMC
PMID:17737668
Europe PMC
PMID:18670398
Europe PMC
PMID:22002069
Europe PMC
PMID:22081570
Europe PMC
PMID:22088435
Europe PMC
PMID:22100291
Europe PMC
PMID:22130175
Europe PMC
PMID:22150211
Europe PMC
PMID:22240068
Europe PMC
PMID:22290316
Europe PMC
PMID:22342082
Europe PMC
PMID:22385337
Europe PMC
PMID:22443779
Europe PMC
PMID:22560242
Europe PMC
Reaxys:3587154
Reaxys
AMMONIA
PDBeChem
Ammonia
KEGG_COMPOUND
ammonia
IUPAC
azane
IUPAC
Ammoniak
ChemIDplus
NH3
IUPAC
NH3
KEGG_COMPOUND
NH3
UniProt
R-717
ChEBI
[NH3]
MolBase
ammoniac
ChEBI
amoniaco
ChEBI
spirit of hartshorn
ChemIDplus
A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.
0
H2S
InChI=1S/H2S/h1H2
RWSOTUBLDIXVET-UHFFFAOYSA-N
34.08188
33.98772
[H]S[H]
CHEBI:13356
CHEBI:14414
CHEBI:24639
CHEBI:43058
CHEBI:45489
CHEBI:5787
Beilstein:3535004
CAS:7783-06-4
Drug_Central:4260
Gmelin:303
KEGG:C00283
KNApSAcK:C00007266
MolBase:1709
PDBeChem:H2S
PMID:11788560
PMID:14654297
PMID:15003943
PMID:15607739
PMID:16446402
PMID:18098324
PMID:18524810
PMID:18948540
PMID:19695225
PMID:22004989
PMID:22378060
PMID:22448627
PMID:22473176
PMID:22486842
PMID:22520971
PMID:22787557
UM-BBD_compID:c0239
Wikipedia:Hydrogen_sulfide
Hydrogen sulfide
dihydridosulfur
dihydrogen(sulfide)
hydrogen sulfide
sulfane
chebi_ontology
H2S
HYDROSULFURIC ACID
Hydrogen-sulfide
Schwefelwasserstoff
Sulfide
[SH2]
acide sulfhydrique
dihydrogen monosulfide
dihydrogen sulfide
hydrogen monosulfide
hydrogen sulphide
hydrogene sulfure
sulfure d'hydrogene
CHEBI:16136
hydrogen sulfide
Beilstein:3535004
Beilstein
CAS:7783-06-4
ChemIDplus
CAS:7783-06-4
KEGG COMPOUND
CAS:7783-06-4
NIST Chemistry WebBook
Drug_Central:4260
DrugCentral
Gmelin:303
Gmelin
PMID:11788560
Europe PMC
PMID:14654297
Europe PMC
PMID:15003943
Europe PMC
PMID:15607739
Europe PMC
PMID:16446402
Europe PMC
PMID:18098324
Europe PMC
PMID:18524810
Europe PMC
PMID:18948540
Europe PMC
PMID:19695225
Europe PMC
PMID:22004989
Europe PMC
PMID:22378060
Europe PMC
PMID:22448627
Europe PMC
PMID:22473176
Europe PMC
PMID:22486842
Europe PMC
PMID:22520971
Europe PMC
PMID:22787557
Europe PMC
UM-BBD_compID:c0239
UM-BBD
Hydrogen sulfide
KEGG_COMPOUND
dihydridosulfur
IUPAC
dihydrogen(sulfide)
IUPAC
hydrogen sulfide
IUPAC
sulfane
IUPAC
H2S
IUPAC
H2S
KEGG_COMPOUND
HYDROSULFURIC ACID
PDBeChem
Hydrogen-sulfide
KEGG_COMPOUND
Schwefelwasserstoff
ChemIDplus
Sulfide
KEGG_COMPOUND
[SH2]
MolBase
acide sulfhydrique
ChemIDplus
dihydrogen monosulfide
NIST_Chemistry_WebBook
dihydrogen sulfide
NIST_Chemistry_WebBook
hydrogen monosulfide
NIST_Chemistry_WebBook
hydrogen sulphide
ChemIDplus
hydrogene sulfure
ChemIDplus
sulfure d'hydrogene
ChEBI
The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.
-1
C7H5O2
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
WPYMKLBDIGXBTP-UHFFFAOYSA-M
121.11340
121.02950
[O-]C(=O)c1ccccc1
CHEBI:13879
CHEBI:22717
Beilstein:1862486
CAS:766-76-7
Gmelin:2945
HMDB:HMDB0001870
KEGG:C00180
MetaCyc:BENZOATE
Reaxys:1862486
UM-BBD_compID:c0121
benzoate
chebi_ontology
Benzenecarboxylate
Benzeneformate
Benzenemethanoate
Phenylcarboxylate
Phenylformate
benzoate anion
benzoic acid, ion(1-)
CHEBI:16150
benzoate
Beilstein:1862486
Beilstein
CAS:766-76-7
ChemIDplus
CAS:766-76-7
NIST Chemistry WebBook
Gmelin:2945
Gmelin
Reaxys:1862486
Reaxys
UM-BBD_compID:c0121
UM-BBD
benzoate
IUPAC
benzoate
UniProt
Benzenecarboxylate
HMDB
Benzeneformate
HMDB
Benzenemethanoate
HMDB
Phenylcarboxylate
HMDB
Phenylformate
HMDB
benzoate anion
NIST_Chemistry_WebBook
benzoic acid, ion(1-)
ChemIDplus
A synthetic monocyclic beta-lactam antibiotic (monobactam), used primarily to treat infections caused by Gram-negative bacteria. It inhibits mucopeptide synthesis in the bacterial cell wall, thereby blocking peptidoglycan crosslinking.
0
C13H17N5O8S2
InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
WZPBZJONDBGPKJ-VEHQQRBSSA-N
435.43300
435.05185
C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc([NH3+])n2)C(=O)N1S([O-])(=O)=O
CHEBI:2960
CHEBI:41008
Beilstein:3577211
CAS:78110-38-0
DrugBank:DB00355
Drug_Central:279
KEGG:C06840
KEGG:D00240
PDBeChem:AZR
PMID:1384868
PMID:15123864
PMID:24119095
PMID:24176390
PMID:24369293
PMID:25049240
PMID:25091537
PMID:25295210
PMID:28543395
PMID:29017833
Patent:NL8100571
Reaxys:3577211
Wikipedia:Aztreonam
(2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate
chebi_ontology
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid
AZT
Azactam
Primbactam
aztreonam
aztreonamum
CHEBI:161680
aztreonam
Beilstein:3577211
Beilstein
CAS:78110-38-0
ChemIDplus
Drug_Central:279
DrugCentral
PMID:1384868
Europe PMC
PMID:15123864
Europe PMC
PMID:24119095
Europe PMC
PMID:24176390
Europe PMC
PMID:24369293
Europe PMC
PMID:25049240
Europe PMC
PMID:25091537
Europe PMC
PMID:25295210
Europe PMC
PMID:28543395
Europe PMC
PMID:29017833
Europe PMC
Reaxys:3577211
Reaxys
(2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate
IUPAC
(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid
ChemIDplus
AZT
ChEBI
Azactam
DrugBank
Primbactam
DrugBank
aztreonam
ChEBI
aztreonamum
ChemIDplus
A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.
-2
O4S
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
QAOWNCQODCNURD-UHFFFAOYSA-L
96.06360
95.95283
[O-]S([O-])(=O)=O
CHEBI:15135
CHEBI:45687
CHEBI:9335
Beilstein:3648446
CAS:14808-79-8
Gmelin:2120
HMDB:HMDB0001448
KEGG:C00059
KEGG:D05963
MetaCyc:SULFATE
PDBeChem:SO4
PMID:11200094
PMID:11452993
PMID:11581495
PMID:11798107
PMID:12166931
PMID:12668033
PMID:14597181
PMID:15093386
PMID:15984785
PMID:16186560
PMID:16345535
PMID:16347366
PMID:16348007
PMID:16483812
PMID:16534979
PMID:16656509
PMID:16742508
PMID:16742518
PMID:17120760
PMID:17420092
PMID:17439666
PMID:17709180
PMID:18398178
PMID:18815700
PMID:18846414
PMID:19047345
PMID:19244483
PMID:19544990
PMID:19628332
PMID:19812358
PMID:30398859
Reaxys:3648446
Wikipedia:Sulfate
Sulfate
sulfate
tetraoxidosulfate(2-)
tetraoxosulfate(2-)
tetraoxosulfate(VI)
chebi_ontology
SO4(2-)
SULFATE ION
Sulfate anion(2-)
Sulfate dianion
Sulfate(2-)
Sulfuric acid ion(2-)
[SO4](2-)
sulphate
sulphate ion
CHEBI:16189
sulfate
Beilstein:3648446
Beilstein
CAS:14808-79-8
ChemIDplus
CAS:14808-79-8
NIST Chemistry WebBook
Gmelin:2120
Gmelin
PMID:11200094
Europe PMC
PMID:11452993
Europe PMC
PMID:11581495
Europe PMC
PMID:11798107
Europe PMC
PMID:12166931
Europe PMC
PMID:12668033
Europe PMC
PMID:14597181
Europe PMC
PMID:15093386
Europe PMC
PMID:15984785
Europe PMC
PMID:16186560
Europe PMC
PMID:16345535
Europe PMC
PMID:16347366
Europe PMC
PMID:16348007
Europe PMC
PMID:16483812
Europe PMC
PMID:16534979
Europe PMC
PMID:16656509
Europe PMC
PMID:16742508
Europe PMC
PMID:16742518
Europe PMC
PMID:17120760
Europe PMC
PMID:17420092
Europe PMC
PMID:17439666
Europe PMC
PMID:17709180
Europe PMC
PMID:18398178
Europe PMC
PMID:18815700
Europe PMC
PMID:18846414
Europe PMC
PMID:19047345
Europe PMC
PMID:19244483
Europe PMC
PMID:19544990
Europe PMC
PMID:19628332
Europe PMC
PMID:19812358
Europe PMC
PMID:30398859
Europe PMC
Reaxys:3648446
Reaxys
Sulfate
KEGG_COMPOUND
sulfate
IUPAC
sulfate
UniProt
tetraoxidosulfate(2-)
IUPAC
tetraoxosulfate(2-)
IUPAC
tetraoxosulfate(VI)
IUPAC
SO4(2-)
IUPAC
SULFATE ION
PDBeChem
Sulfate anion(2-)
HMDB
Sulfate dianion
HMDB
Sulfate(2-)
HMDB
Sulfuric acid ion(2-)
HMDB
[SO4](2-)
IUPAC
sulphate
ChEBI
sulphate ion
ChEBI
A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O).
0
CH4N2O
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
XSQUKJJJFZCRTK-UHFFFAOYSA-N
60.05534
60.03236
NC(N)=O
CHEBI:15292
CHEBI:27218
CHEBI:46379
CHEBI:9888
Beilstein:635724
CAS:57-13-6
DrugBank:DB03904
Drug_Central:4264
ECMDB:ECMDB04172
Gmelin:1378
HMDB:HMDB0000294
KEGG:C00086
KEGG:D00023
KNApSAcK:C00007314
MetaCyc:UREA
PDBeChem:URE
PMID:18037357
PMID:22770225
PPDB:1728
Reaxys:635724
UM-BBD_compID:c0165
Wikipedia:Urea
YMDB:YMDB00003
UREA
Urea
urea
chebi_ontology
1728
Carbamide
E927b
H2NC(O)NH2
Harnstoff
Karbamid
carbamide
carbonyldiamide
ur
uree
CHEBI:16199
urea
Beilstein:635724
Beilstein
CAS:57-13-6
ChemIDplus
CAS:57-13-6
KEGG COMPOUND
CAS:57-13-6
NIST Chemistry WebBook
Drug_Central:4264
DrugCentral
Gmelin:1378
Gmelin
PMID:18037357
Europe PMC
PMID:22770225
Europe PMC
Reaxys:635724
Reaxys
UM-BBD_compID:c0165
UM-BBD
UREA
PDBeChem
Urea
KEGG_COMPOUND
urea
IUPAC
urea
UniProt
1728
PPDB
Carbamide
KEGG_COMPOUND
E927b
ChEBI
H2NC(O)NH2
ChEBI
Harnstoff
NIST_Chemistry_WebBook
Karbamid
ChEBI
carbamide
ChEBI
carbonyldiamide
NIST_Chemistry_WebBook
ur
IUPAC
uree
ChEBI
A divalent inorganic anion obtained by removal of both protons from phosphonic acid
-2
HO3P
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
ABLZXFCXXLZCGV-UHFFFAOYSA-L
79.97990
79.96743
[H]P([O-])([O-])=O
CHEBI:14820
CHEBI:39856
CHEBI:8154
Gmelin:1618
KEGG:C06701
MetaCyc:PHOSPHONATE
PDBeChem:2PO
hydridotrioxidophosphate(2-)
hydridotrioxophosphate(2-)
chebi_ontology
PHO3(2-)
PHOSPHONATE
Phosphonate
[PHO3](2-)
phosphonate
CHEBI:16215
phosphonate(2-)
Gmelin:1618
Gmelin
hydridotrioxidophosphate(2-)
IUPAC
hydridotrioxophosphate(2-)
IUPAC
PHO3(2-)
IUPAC
PHOSPHONATE
PDBeChem
Phosphonate
KEGG_COMPOUND
[PHO3](2-)
IUPAC
phosphonate
IUPAC
phosphonate
UniProt
An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond.
0
H2O2
InChI=1S/H2O2/c1-2/h1-2H
MHAJPDPJQMAIIY-UHFFFAOYSA-N
34.01468
34.00548
[H]OO[H]
CHEBI:13354
CHEBI:13355
CHEBI:24637
CHEBI:44812
CHEBI:5586
Beilstein:3587191
CAS:7722-84-1
Drug_Central:3281
Gmelin:509
HMDB:HMDB0003125
KEGG:C00027
KEGG:D00008
MetaCyc:HYDROGEN-PEROXIDE
MolBase:932
PDBeChem:PEO
PMID:10455187
PMID:10557015
PMID:10849784
PMID:11033421
PMID:11105916
PMID:11318558
PMID:11387393
PMID:11809417
PMID:11864786
PMID:11893576
PMID:12867293
PMID:12934880
PMID:14679422
PMID:15028418
PMID:15133946
PMID:15298493
PMID:16337875
PMID:16463018
PMID:16864869
PMID:17020896
PMID:17179007
PMID:17610934
PMID:17948137
PMID:18179203
PMID:18182702
PMID:18306736
PMID:18443210
PMID:18592736
PMID:19107210
PMID:19229032
PMID:19297450
PMID:19509065
PMID:26352695
PMID:26365231
PMID:7548021
PMID:7581816
PMID:8048546
PMID:8375042
PMID:8451754
PMID:9051670
PMID:9100841
PMID:9168257
PMID:9202721
PMID:9558114
PPDB:387
Reaxys:3587191
Wikipedia:Hydrogen_peroxide
HYDROGEN PEROXIDE
Hydrogen peroxide
bis(hydridooxygen)(O--O)
dihydrogen peroxide
dihydrogen(peroxide)
dioxidane
hydrogen peroxide
chebi_ontology
H2O2
HOOH
Oxydol
[OH(OH)]
dihydrogen dioxide
perhydrol
CHEBI:16240
hydrogen peroxide
Beilstein:3587191
Beilstein
CAS:7722-84-1
ChemIDplus
CAS:7722-84-1
KEGG COMPOUND
CAS:7722-84-1
NIST Chemistry WebBook
Drug_Central:3281
DrugCentral
Gmelin:509
Gmelin
PMID:10455187
Europe PMC
PMID:10557015
Europe PMC
PMID:10849784
Europe PMC
PMID:11033421
Europe PMC
PMID:11105916
Europe PMC
PMID:11318558
Europe PMC
PMID:11387393
Europe PMC
PMID:11809417
Europe PMC
PMID:11864786
Europe PMC
PMID:11893576
Europe PMC
PMID:12867293
Europe PMC
PMID:12934880
Europe PMC
PMID:14679422
Europe PMC
PMID:15028418
Europe PMC
PMID:15133946
Europe PMC
PMID:15298493
Europe PMC
PMID:16337875
Europe PMC
PMID:16463018
Europe PMC
PMID:16864869
Europe PMC
PMID:17020896
Europe PMC
PMID:17179007
Europe PMC
PMID:17610934
Europe PMC
PMID:17948137
Europe PMC
PMID:18179203
Europe PMC
PMID:18182702
Europe PMC
PMID:18306736
Europe PMC
PMID:18443210
Europe PMC
PMID:18592736
Europe PMC
PMID:19107210
Europe PMC
PMID:19229032
Europe PMC
PMID:19297450
Europe PMC
PMID:19509065
Europe PMC
PMID:26352695
Europe PMC
PMID:26365231
Europe PMC
PMID:7548021
Europe PMC
PMID:7581816
Europe PMC
PMID:8048546
Europe PMC
PMID:8375042
Europe PMC
PMID:8451754
Europe PMC
PMID:9051670
Europe PMC
PMID:9100841
Europe PMC
PMID:9168257
Europe PMC
PMID:9202721
Europe PMC
PMID:9558114
Europe PMC
Reaxys:3587191
Reaxys
HYDROGEN PEROXIDE
PDBeChem
Hydrogen peroxide
KEGG_COMPOUND
bis(hydridooxygen)(O--O)
IUPAC
dihydrogen peroxide
IUPAC
dihydrogen(peroxide)
IUPAC
dioxidane
IUPAC
hydrogen peroxide
IUPAC
H2O2
KEGG_COMPOUND
H2O2
UniProt
HOOH
IUPAC
Oxydol
KEGG_COMPOUND
[OH(OH)]
MolBase
dihydrogen dioxide
IUPAC
perhydrol
MetaCyc
A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides.
CHEBI:14816
CHEBI:26063
CHEBI:8150
KEGG:C00865
Phospholipid
chebi_ontology
a phospholipid derivative
phospholipids
CHEBI:16247
phospholipid
Phospholipid
KEGG_COMPOUND
a phospholipid derivative
UniProt
phospholipids
ChEBI
The D-enantiomer of proline.
0
C5H9NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
ONIBWKKTOPOVIA-SCSAIBSYSA-N
115.13050
115.06333
OC(=O)[C@H]1CCCN1
CHEBI:13008
CHEBI:21070
CHEBI:42012
CHEBI:42129
CHEBI:42213
CHEBI:4226
CHEBI:45156
Beilstein:80811
CAS:344-25-2
DrugBank:DB02853
Gmelin:833984
HMDB:HMDB0003411
KEGG:C00763
MetaCyc:D-PROLINE
PDBeChem:DPR
PMID:19023642
PMID:20023020
PMID:20959625
PMID:21374575
PMID:21563681
PMID:22475019
PMID:22479580
Reaxys:80811
Wikipedia:D-proline
D-PROLINE
D-Proline
D-proline
chebi_ontology
(2R)-pyrrolidine-2-carboxylic acid
(R)-2-Carboxypyrrolidine
(R)-pyrrolidine-2-carboxylic acid
D-Prolin
DPR
CHEBI:16313
D-proline
Beilstein:80811
Beilstein
CAS:344-25-2
ChemIDplus
CAS:344-25-2
KEGG COMPOUND
Gmelin:833984
Gmelin
PMID:19023642
Europe PMC
PMID:20023020
Europe PMC
PMID:20959625
Europe PMC
PMID:21374575
Europe PMC
PMID:21563681
Europe PMC
PMID:22475019
Europe PMC
PMID:22479580
Europe PMC
Reaxys:80811
Reaxys
D-PROLINE
PDBeChem
D-Proline
KEGG_COMPOUND
D-proline
IUPAC
(2R)-pyrrolidine-2-carboxylic acid
IUPAC
(R)-2-Carboxypyrrolidine
HMDB
(R)-pyrrolidine-2-carboxylic acid
ChEBI
D-Prolin
ChEBI
DPR
PDBeChem
Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers.
0
SR2
32.066
31.97207
CHEBI:13694
CHEBI:26960
CHEBI:9340
KEGG:C00297
sulfides
chebi_ontology
RSR
Sulfide
Thioether
organic sulfides
thioethers
CHEBI:16385
organic sulfide
sulfides
IUPAC
RSR
IUPAC
Sulfide
KEGG_COMPOUND
Thioether
KEGG_COMPOUND
organic sulfides
ChEBI
thioethers
IUPAC
An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes.
0
C12H7Cl3O2
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
XEFQLINVKFYRCS-UHFFFAOYSA-N
289.54200
287.95116
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
CHEBI:29697
CHEBI:47700
Beilstein:2057142
CAS:3380-34-5
DrugBank:DB08604
Drug_Central:3631
KEGG:C12059
KEGG:D06226
LINCS:LSM-2929
PDBeChem:TCL
PMID:11175846
PMID:11418506
PMID:15269185
PMID:17567585
PMID:18837732
PMID:18937596
PMID:19388793
PMID:21094257
PMID:21166831
PMID:21833630
PMID:22105314
PMID:22561896
PMID:22746545
PMID:23146048
PMID:23161706
PMID:23192912
PMID:23282071
PMID:23313217
PMID:23320506
PMID:23368947
PMID:23435526
PMID:23561013
PMID:23592331
PMID:23614034
PMID:23648333
PMID:23791346
PMID:23831729
PMID:23890965
PMID:23927454
PMID:24079913
PMID:25179274
PMID:28236114
PMID:28339349
PMID:28632490
PMID:28741979
PMID:29030459
PMID:29067681
PMID:29100157
PMID:29109308
PMID:29111213
PMID:29111444
PMID:29131715
PMID:29150338
PMID:29154092
PMID:29172042
PMID:29175687
PMID:29197580
PMID:29205483
PMID:29214481
PMID:29232866
PMID:29277667
PMID:29332277
PMID:29340711
PMID:29348637
Patent:NL6401526
Patent:US3506720
Patent:US3629477
Reaxys:2057142
Wikipedia:Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
Triclosan
chebi_ontology
2,4,4'-Trichloro-2'-hydroxydiphenyl ether
5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
triclosan
triclosanum
CHEBI:164200
triclosan
Beilstein:2057142
Beilstein
CAS:3380-34-5
ChemIDplus
CAS:3380-34-5
KEGG COMPOUND
Drug_Central:3631
DrugCentral
PMID:11175846
Europe PMC
PMID:11418506
Europe PMC
PMID:15269185
Europe PMC
PMID:17567585
Europe PMC
PMID:18837732
Europe PMC
PMID:18937596
Europe PMC
PMID:19388793
Europe PMC
PMID:21094257
Europe PMC
PMID:21166831
Europe PMC
PMID:21833630
Europe PMC
PMID:22105314
Europe PMC
PMID:22561896
Europe PMC
PMID:22746545
Europe PMC
PMID:23146048
Europe PMC
PMID:23161706
Europe PMC
PMID:23192912
Europe PMC
PMID:23282071
Europe PMC
PMID:23313217
Europe PMC
PMID:23320506
Europe PMC
PMID:23368947
Europe PMC
PMID:23435526
Europe PMC
PMID:23561013
Europe PMC
PMID:23592331
Europe PMC
PMID:23614034
Europe PMC
PMID:23648333
Europe PMC
PMID:23791346
Europe PMC
PMID:23831729
Europe PMC
PMID:23890965
Europe PMC
PMID:23927454
Europe PMC
PMID:24079913
Europe PMC
PMID:25179274
Europe PMC
PMID:28236114
Europe PMC
PMID:28339349
Europe PMC
PMID:28632490
Europe PMC
PMID:28741979
Europe PMC
PMID:29030459
Europe PMC
PMID:29067681
Europe PMC
PMID:29100157
Europe PMC
PMID:29109308
Europe PMC
PMID:29111213
Europe PMC
PMID:29111444
Europe PMC
PMID:29131715
Europe PMC
PMID:29150338
Europe PMC
PMID:29154092
Europe PMC
PMID:29172042
Europe PMC
PMID:29175687
Europe PMC
PMID:29197580
Europe PMC
PMID:29205483
Europe PMC
PMID:29214481
Europe PMC
PMID:29232866
Europe PMC
PMID:29277667
Europe PMC
PMID:29332277
Europe PMC
PMID:29340711
Europe PMC
PMID:29348637
Europe PMC
Reaxys:2057142
Reaxys
5-chloro-2-(2,4-dichlorophenoxy)phenol
IUPAC
Triclosan
KEGG_COMPOUND
2,4,4'-Trichloro-2'-hydroxydiphenyl ether
ChemIDplus
5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
ChEMBL
triclosan
ChemIDplus
triclosan
WHO_MedNet
triclosanum
ChemIDplus
A naturally occurring polypeptide synthesized at the ribosome.
CHEBI:8526
KEGG:C00017
chebi_ontology
Protein
a protein
polypeptide chain
protein polypeptide chains
CHEBI:16541
protein polypeptide chain
Protein
KEGG_COMPOUND
a protein
UniProt
polypeptide chain
ChEBI
protein polypeptide chains
ChEBI
Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates.
CHEBI:15131
CHEBI:23008
CHEBI:9318
Wikipedia:Carbohydrate
carbohydrate
carbohydrates
chebi_ontology
Kohlenhydrat
Kohlenhydrate
a carbohydrate
carbohidrato
carbohidratos
glucide
glucides
glucido
glucidos
hydrates de carbone
saccharide
saccharides
saccharidum
CHEBI:16646
carbohydrate
carbohydrate
IUPAC
carbohydrates
IUPAC
Kohlenhydrat
ChEBI
Kohlenhydrate
ChEBI
a carbohydrate
UniProt
carbohidrato
IUPAC
carbohidratos
IUPAC
glucide
ChEBI
glucides
ChEBI
glucido
ChEBI
glucidos
ChEBI
hydrates de carbone
ChEBI
saccharide
IUPAC
saccharides
IUPAC
saccharidum
ChEBI
Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
0
(C2H2NOR)nC2H3NOR
CHEBI:14753
CHEBI:25906
CHEBI:7990
KEGG:C00012
Peptide
peptides
chebi_ontology
Peptid
peptido
peptidos
CHEBI:16670
peptide
Peptide
KEGG_COMPOUND
peptides
IUPAC
Peptid
ChEBI
peptido
ChEBI
peptidos
ChEBI
A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond.
0
C9H12N2O6
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
DRTQHJPVMGBUCF-XVFCMESISA-N
244.20146
244.06954
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
CHEBI:15296
CHEBI:27227
CHEBI:46386
CHEBI:46391
CHEBI:46460
CHEBI:9893
Beilstein:754904
CAS:58-96-8
DrugBank:DB02745
ECMDB:ECMDB00296
Gmelin:397474
HMDB:HMDB0000296
KEGG:C00299
KNApSAcK:C00019674
MetaCyc:URIDINE
PDBeChem:URI
PMID:12084455
PMID:15621516
PMID:16839635
PMID:17190852
PMID:22392515
PMID:22770225
Reaxys:754904
Wikipedia:Uridine
YMDB:YMDB00127
URIDINE
Uridine
uridine
chebi_ontology
1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
1-beta-D-ribofuranosyluracil
Urd
Uridin
beta-Uridine
u
CHEBI:16704
uridine
Beilstein:754904
Beilstein
CAS:58-96-8
ChemIDplus
CAS:58-96-8
KEGG COMPOUND
Gmelin:397474
Gmelin
PMID:12084455
Europe PMC
PMID:15621516
Europe PMC
PMID:16839635
Europe PMC
PMID:17190852
Europe PMC
PMID:22392515
Europe PMC
PMID:22770225
Europe PMC
Reaxys:754904
Reaxys
URIDINE
PDBeChem
Uridine
KEGG_COMPOUND
uridine
IUPAC
uridine
UniProt
1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione
ChEBI
1-beta-D-ribofuranosyluracil
HMDB
Urd
CBN
Uridin
ChemIDplus
beta-Uridine
HMDB
u
ChEBI
A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.
0
C8H12N2O3S
InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
NGHVIOIJCVXTGV-ALEPSDHESA-N
216.260
216.05686
C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O
CHEBI:20705
CHEBI:2172
Beilstein:15080
Beilstein:959078
CAS:551-16-6
Gmelin:1876702
KEGG:C02954
PDBeChem:X1E
PMID:12569987
PMID:1384868
PMID:14687482
PMID:1701026
PMID:20970923
PMID:21614893
PMID:24293403
PMID:24389703
PMID:24631718
PMID:25057428
PMID:26852849
PMID:26986755
PMID:6166603
Patent:US2941995
Reaxys:15080
Wikipedia:6-APA
6-Aminopenicillanic acid
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
chebi_ontology
(+)-6-aminopenicillanic acid
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-APA
6-Aminopenicillamine acid
6-Aminopenicillanate
6-Apa
6-Aps
6beta-aminopenicillanic acid
Aminopenicillanic acid
Penicin
Penin
Phenacyl 6-aminopenicillinate
CHEBI:16705
6-aminopenicillanic acid
Beilstein:15080
Beilstein
Beilstein:959078
Beilstein
CAS:551-16-6
ChemIDplus
CAS:551-16-6
KEGG COMPOUND
Gmelin:1876702
Gmelin
PMID:12569987
Europe PMC
PMID:1384868
Europe PMC
PMID:14687482
Europe PMC
PMID:1701026
Europe PMC
PMID:20970923
Europe PMC
PMID:21614893
Europe PMC
PMID:24293403
Europe PMC
PMID:24389703
Europe PMC
PMID:24631718
Europe PMC
PMID:25057428
Europe PMC
PMID:26852849
Europe PMC
PMID:26986755
Europe PMC
PMID:6166603
Europe PMC
Reaxys:15080
Reaxys
6-Aminopenicillanic acid
KEGG_COMPOUND
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
(+)-6-aminopenicillanic acid
ChEBI
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
6-APA
ChEBI
6-Aminopenicillamine acid
ChemIDplus
6-Aminopenicillanate
KEGG_COMPOUND
6-Apa
ChemIDplus
6-Aps
ChemIDplus
6beta-aminopenicillanic acid
ChEBI
Aminopenicillanic acid
ChemIDplus
Penicin
ChemIDplus
Penin
ChemIDplus
Phenacyl 6-aminopenicillinate
ChemIDplus
A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.
0
C6H6
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
UHOVQNZJYSORNB-UHFFFAOYSA-N
78.11184
78.04695
c1ccccc1
CHEBI:13876
CHEBI:22703
CHEBI:3025
CHEBI:41187
Beilstein:969212
CAS:71-43-2
Gmelin:1671
HMDB:HMDB0001505
KEGG:C01407
PDBeChem:BNZ
PMID:11684179
PMID:11993966
PMID:12857942
PMID:14677922
PMID:15468289
PMID:15935818
PMID:16161967
PMID:17373369
PMID:18072742
PMID:18407866
PMID:18409691
PMID:18836923
PMID:19228219
PMID:21325737
PMID:23088855
PMID:23222815
PMID:23534829
PMID:6353911
PMID:8124204
Reaxys:969212
UM-BBD_compID:c0142
Wikipedia:Benzene
BENZENE
Benzene
benzene
chebi_ontology
Benzen
Benzine
Benzol
Bicarburet of hydrogen
Coal naphtha
Mineral naphtha
Phene
Pyrobenzol
Pyrobenzole
[6]annulene
benzole
cyclohexatriene
phenyl hydride
CHEBI:16716
benzene
Beilstein:969212
Beilstein
CAS:71-43-2
ChemIDplus
CAS:71-43-2
KEGG COMPOUND
CAS:71-43-2
NIST Chemistry WebBook
Gmelin:1671
Gmelin
PMID:11684179
Europe PMC
PMID:11993966
Europe PMC
PMID:12857942
Europe PMC
PMID:14677922
Europe PMC
PMID:15468289
Europe PMC
PMID:15935818
Europe PMC
PMID:16161967
Europe PMC
PMID:17373369
Europe PMC
PMID:18072742
Europe PMC
PMID:18407866
Europe PMC
PMID:18409691
Europe PMC
PMID:18836923
Europe PMC
PMID:19228219
Europe PMC
PMID:21325737
Europe PMC
PMID:23088855
Europe PMC
PMID:23222815
Europe PMC
PMID:23534829
Europe PMC
PMID:6353911
Europe PMC
PMID:8124204
Europe PMC
Reaxys:969212
Reaxys
UM-BBD_compID:c0142
UM-BBD
BENZENE
PDBeChem
Benzene
KEGG_COMPOUND
benzene
ChEBI
benzene
IUPAC
benzene
UniProt
Benzen
IUPAC
Benzine
UM-BBD
Benzol
ChemIDplus
Bicarburet of hydrogen
ChemIDplus
Coal naphtha
ChemIDplus
Mineral naphtha
ChemIDplus
Phene
ChemIDplus
Pyrobenzol
ChemIDplus
Pyrobenzole
ChemIDplus
[6]annulene
NIST_Chemistry_WebBook
benzole
NIST_Chemistry_WebBook
cyclohexatriene
UM-BBD
phenyl hydride
UM-BBD
A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body.
Wikipedia:Mineral_(nutrient)
mineral nutrient
chebi_ontology
mineral nutrients
nutrient mineral
nutrient minerals
CHEBI:167164
mineral nutrient
mineral nutrient
ChEBI
mineral nutrients
ChEBI
nutrient mineral
ChEBI
nutrient minerals
ChEBI
A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water.
Wikipedia:Piscicide
chebi_ontology
piscicides
CHEBI:167183
piscicide
piscicides
ChEBI
0
C2H4NO2R
74.05870
74.02420
N[C@H]([*])C(O)=O
CHEBI:12909
CHEBI:13625
CHEBI:20906
CHEBI:4097
KEGG:C00405
D-alpha-amino acid
D-alpha-amino acids
chebi_ontology
D-Amino acid
D-alpha-amino acids
CHEBI:16733
D-alpha-amino acid
D-alpha-amino acid
ChEBI
D-alpha-amino acids
IUPAC
D-Amino acid
KEGG_COMPOUND
D-alpha-amino acids
ChEBI
Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001.
chebi_ontology
glycans
CHEBI:167559
glycan
glycans
ChEBI
A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves.
0
C7H6O3
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
YGSDEFSMJLZEOE-UHFFFAOYSA-N
138.12070
138.03169
OC(=O)c1ccccc1O
CHEBI:26597
CHEBI:45521
CHEBI:9006
Beilstein:774890
CAS:69-72-7
DrugBank:DB00936
Drug_Central:2416
Gmelin:3418
HMDB:HMDB0001895
KEGG:C00805
KEGG:D00097
KNApSAcK:C00000206
LINCS:LSM-4763
MetaCyc:CPD-110
PDBeChem:SAL
PMID:11016405
PMID:12865403
PMID:1650428
PMID:19400653
PMID:19816125
PMID:22770225
PMID:29079364
PMID:32807953
PMID:3425858
Reaxys:774890
Wikipedia:Salicylic_Acid
2-hydroxybenzoic acid
Salicylic acid
chebi_ontology
2-HYDROXYBENZOIC ACID
2-carboxyphenol
o-Hydroxybenzoic acid
o-carboxyphenol
o-hydroxybenzoic acid
CHEBI:16914
salicylic acid
Beilstein:774890
Beilstein
CAS:69-72-7
ChemIDplus
CAS:69-72-7
KEGG COMPOUND
CAS:69-72-7
NIST Chemistry WebBook
Drug_Central:2416
DrugCentral
Gmelin:3418
Gmelin
PMID:11016405
Europe PMC
PMID:12865403
Europe PMC
PMID:1650428
Europe PMC
PMID:19400653
Europe PMC
PMID:19816125
Europe PMC
PMID:22770225
Europe PMC
PMID:29079364
Europe PMC
PMID:32807953
Europe PMC
PMID:3425858
Europe PMC
Reaxys:774890
Reaxys
2-hydroxybenzoic acid
IUPAC
Salicylic acid
KEGG_COMPOUND
2-HYDROXYBENZOIC ACID
PDBeChem
2-carboxyphenol
NIST_Chemistry_WebBook
o-Hydroxybenzoic acid
KEGG_COMPOUND
o-carboxyphenol
NIST_Chemistry_WebBook
o-hydroxybenzoic acid
NIST_Chemistry_WebBook
0
C20H37N3O13
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
GRRNUXAQVGOGFE-NZSRVPFOSA-N
527.52010
527.23264
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O
CHEBI:14426
CHEBI:24752
CHEBI:43202
CHEBI:5821
Beilstein:6755837
CAS:31282-04-9
KEGG:C01925
PDBeChem:HYG
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside
HYGROMYCIN B
Hygromycin B
chebi_ontology
Antibiotic A-396-II
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine
CHEBI:16976
hygromycin B
Beilstein:6755837
Beilstein
CAS:31282-04-9
ChemIDplus
CAS:31282-04-9
KEGG COMPOUND
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside
IUPAC
HYGROMYCIN B
PDBeChem
Hygromycin B
KEGG_COMPOUND
Antibiotic A-396-II
KEGG_COMPOUND
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine
ChEBI
An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues.
0
H2O(C8H13NO5)n
CHEBI:13962
CHEBI:23099
CHEBI:3596
CAS:1398-61-4
KEGG:C00461
KEGG:G10483
(1->4)-2-acetamido-2-deoxy-beta-D-glucan
Chitin
chitin
chebi_ontology
[1,4-(N-Acetyl-beta-D-glucosaminyl)]n
[4)-beta-D-GlcpNAc(1->]n
beta-1,4-Poly-N-acetyl-D-glucosamine
CHEBI:17029
chitin
CAS:1398-61-4
KEGG COMPOUND
(1->4)-2-acetamido-2-deoxy-beta-D-glucan
IUPAC
Chitin
KEGG_COMPOUND
chitin
IUPAC
chitin
UniProt
[1,4-(N-Acetyl-beta-D-glucosaminyl)]n
KEGG_COMPOUND
[4)-beta-D-GlcpNAc(1->]n
IUPAC
beta-1,4-Poly-N-acetyl-D-glucosamine
KEGG_COMPOUND
A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class
0
C21H39N7O12
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
UCSJYZPVAKXKNQ-HZYVHMACSA-N
581.57434
581.26567
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
CHEBI:15119
CHEBI:26784
CHEBI:45745
CHEBI:9284
Beilstein:74498
CAS:57-92-1
DrugBank:DB01082
Drug_Central:2481
HMDB:HMDB0015214
KEGG:C00413
KEGG:D08531
MetaCyc:STREPTOMYCIN
PDBeChem:SRY
PMID:11228320
PMID:11905029
PMID:12118520
PMID:13030054
PMID:13116094
PMID:13136149
PMID:13596285
PMID:13691614
PMID:13985260
PMID:13990247
PMID:14623118
PMID:14828344
PMID:14852338
PMID:14939639
PMID:15081082
PMID:15137533
PMID:15207172
PMID:15686853
PMID:15736038
PMID:16904706
PMID:17105735
PMID:17238915
PMID:17429930
PMID:18173084
PMID:18916143
PMID:19052412
PMID:19335957
PMID:21350946
PMID:21362244
PMID:21593257
PMID:21937264
PMID:22101040
Pesticides:streptomycin
Reaxys:74498
Wikipedia:Streptomycin
N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
STREPTOMYCIN
chebi_ontology
2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside
Kantrex
SM
[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}
streomycin
streptomycin
CHEBI:17076
streptomycin
Beilstein:74498
Beilstein
CAS:57-92-1
ChemIDplus
CAS:57-92-1
KEGG COMPOUND
Drug_Central:2481
DrugCentral
PMID:11228320
Europe PMC
PMID:11905029
Europe PMC
PMID:12118520
Europe PMC
PMID:13030054
Europe PMC
PMID:13116094
Europe PMC
PMID:13136149
Europe PMC
PMID:13596285
Europe PMC
PMID:13691614
Europe PMC
PMID:13985260
Europe PMC
PMID:13990247
Europe PMC
PMID:14623118
Europe PMC
PMID:14828344
Europe PMC
PMID:14852338
Europe PMC
PMID:14939639
Europe PMC
PMID:15081082
Europe PMC
PMID:15137533
Europe PMC
PMID:15207172
Europe PMC
PMID:15686853
Europe PMC
PMID:15736038
Europe PMC
PMID:16904706
Europe PMC
PMID:17105735
Europe PMC
PMID:17238915
Europe PMC
PMID:17429930
Europe PMC
PMID:18173084
Europe PMC
PMID:18916143
Europe PMC
PMID:19052412
Europe PMC
PMID:19335957
Europe PMC
PMID:21350946
Europe PMC
PMID:21362244
Europe PMC
PMID:21593257
Europe PMC
PMID:21937264
Europe PMC
PMID:22101040
Europe PMC
Pesticides:streptomycin
Alan Wood's Pesticides
Reaxys:74498
Reaxys
N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
IUPAC
STREPTOMYCIN
PDBeChem
2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside
ChemIDplus
Kantrex
DrugBank
SM
KEGG_DRUG
[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}
IUPAC
streomycin
ChEBI
streptomycin
KEGG_DRUG
A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
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
-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 pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.
0
C6H6N2O
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
DFPAKSUCGFBDDF-UHFFFAOYSA-N
122.12472
122.04801
NC(=O)c1cccnc1
CHEBI:14645
CHEBI:25521
CHEBI:44258
CHEBI:7556
Beilstein:383619
CAS:98-92-0
DrugBank:DB02701
Drug_Central:1906
FooDB:FDB012485
Gmelin:3336
HMDB:HMDB0001406
KEGG:C00153
KEGG:D00036
KNApSAcK:C00000209
LINCS:LSM-5428
MetaCyc:NIACINAMIDE
PDBeChem:NCA
PMID:10884473
PMID:11355130
PMID:11814060
PMID:12014919
PMID:12487919
PMID:12519385
PMID:12709297
PMID:12782109
PMID:12890690
PMID:14729974
PMID:14757966
PMID:14871431
PMID:15497767
PMID:15563975
PMID:15780941
PMID:15807725
PMID:15834926
PMID:15995937
PMID:16029679
PMID:16209160
PMID:16596767
PMID:16766489
PMID:16871361
PMID:17021258
PMID:17129213
PMID:18234191
PMID:18316796
PMID:18368629
PMID:18373238
PMID:18389009
PMID:18514428
PMID:18930755
PMID:18987186
PMID:19212411
PMID:19539713
PMID:19544437
PMID:2026685
PMID:21503886
PMID:21891976
PMID:21918528
PMID:21926578
PMID:22067079
PMID:22160932
PMID:22207684
PMID:22232263
PMID:22281243
PMID:22359146
PMID:22361740
PMID:22407380
PMID:22456321
PMID:22536229
PMID:22543086
PMID:22626821
PMID:22699421
PMID:22709272
PMID:22763693
PMID:22770225
PMID:23016598
PMID:23028781
PMID:23043891
PMID:23047329
PMID:24027187
PMID:24077178
PMID:24559077
PMID:24635573
PMID:25504347
PMID:25561219
PMID:31710686
PMID:32249824
PMID:33196157
PMID:33471934
PMID:8620561
PMID:8767167
PMID:9518388
Patent:US2904552
Patent:US2993051
Reaxys:383619
Wikipedia:Nicotinamide
nicotinamide
pyridine-3-carboxamide
chebi_ontology
3-carbamoylpyridine
3-pyridinecarboxamide
Niacinamide
Nicotinamid
Nicotinsaeureamid
Nikotinamid
Nikotinsaeureamid
Vitamin PP
beta-pyridinecarboxamide
m-(aminocarbonyl)pyridine
niacin
niamide
nicotinamida
nicotinamide
nicotinamidum
nicotine acid amide
nicotine amide
nicotinic acid amide
nicotinic amide
nicotylamide
pyridine-3-carboxylic acid amide
vitamin B3
CHEBI:17154
nicotinamide
Beilstein:383619
Beilstein
CAS:98-92-0
ChemIDplus
CAS:98-92-0
KEGG COMPOUND
CAS:98-92-0
NIST Chemistry WebBook
Drug_Central:1906
DrugCentral
Gmelin:3336
Gmelin
PMID:10884473
Europe PMC
PMID:11355130
Europe PMC
PMID:11814060
Europe PMC
PMID:12014919
Europe PMC
PMID:12487919
Europe PMC
PMID:12519385
Europe PMC
PMID:12709297
Europe PMC
PMID:12782109
Europe PMC
PMID:12890690
Europe PMC
PMID:14729974
Europe PMC
PMID:14757966
Europe PMC
PMID:14871431
Europe PMC
PMID:15497767
Europe PMC
PMID:15563975
Europe PMC
PMID:15780941
Europe PMC
PMID:15807725
Europe PMC
PMID:15834926
Europe PMC
PMID:15995937
Europe PMC
PMID:16029679
Europe PMC
PMID:16209160
Europe PMC
PMID:16596767
Europe PMC
PMID:16766489
Europe PMC
PMID:16871361
Europe PMC
PMID:17021258
Europe PMC
PMID:17129213
Europe PMC
PMID:18234191
Europe PMC
PMID:18316796
Europe PMC
PMID:18368629
Europe PMC
PMID:18373238
Europe PMC
PMID:18389009
Europe PMC
PMID:18514428
Europe PMC
PMID:18930755
Europe PMC
PMID:18987186
Europe PMC
PMID:19212411
Europe PMC
PMID:19539713
Europe PMC
PMID:19544437
Europe PMC
PMID:2026685
Europe PMC
PMID:21503886
Europe PMC
PMID:21891976
Europe PMC
PMID:21918528
Europe PMC
PMID:21926578
Europe PMC
PMID:22067079
Europe PMC
PMID:22160932
Europe PMC
PMID:22207684
Europe PMC
PMID:22232263
Europe PMC
PMID:22281243
Europe PMC
PMID:22359146
Europe PMC
PMID:22361740
Europe PMC
PMID:22407380
Europe PMC
PMID:22456321
Europe PMC
PMID:22536229
Europe PMC
PMID:22543086
Europe PMC
PMID:22626821
Europe PMC
PMID:22699421
Europe PMC
PMID:22709272
Europe PMC
PMID:22763693
Europe PMC
PMID:22770225
Europe PMC
PMID:23016598
Europe PMC
PMID:23028781
Europe PMC
PMID:23043891
Europe PMC
PMID:23047329
Europe PMC
PMID:24027187
Europe PMC
PMID:24077178
Europe PMC
PMID:24559077
Europe PMC
PMID:24635573
Europe PMC
PMID:25504347
Europe PMC
PMID:25561219
Europe PMC
PMID:31710686
Europe PMC
PMID:32249824
Europe PMC
PMID:33196157
Europe PMC
PMID:33471934
Europe PMC
PMID:8620561
Europe PMC
PMID:8767167
Europe PMC
PMID:9518388
Europe PMC
Reaxys:383619
Reaxys
nicotinamide
UniProt
pyridine-3-carboxamide
IUPAC
3-carbamoylpyridine
ChemIDplus
3-pyridinecarboxamide
NIST_Chemistry_WebBook
Niacinamide
KEGG_COMPOUND
Nicotinamid
ChEBI
Nicotinsaeureamid
ChEBI
Nikotinamid
ChemIDplus
Nikotinsaeureamid
ChEBI
Vitamin PP
KEGG_COMPOUND
beta-pyridinecarboxamide
ChemIDplus
beta-pyridinecarboxamide
NIST_Chemistry_WebBook
m-(aminocarbonyl)pyridine
ChemIDplus
niacin
ChEBI
niamide
ChemIDplus
nicotinamida
WHO_MedNet
nicotinamide
WHO_MedNet
nicotinamidum
WHO_MedNet
nicotine acid amide
ChemIDplus
nicotine amide
ChemIDplus
nicotinic acid amide
ChemIDplus
nicotinic amide
ChemIDplus
nicotylamide
ChemIDplus
pyridine-3-carboxylic acid amide
ChemIDplus
vitamin B3
ChemIDplus
An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae.
chebi_ontology
amebicide
amebicides
amoebicide
amoebicides
anti-amoebic agent
anti-amoebic agents
anti-amoebic drug
anti-amoebic drugs
antiamoebic
antiamoebic agents
antiamoebic drug
antiamoebic drugs
antiamoebics
CHEBI:171664
antiamoebic agent
amebicide
ChEBI
amebicides
ChEBI
amoebicide
ChEBI
amoebicides
ChEBI
anti-amoebic agent
ChEBI
anti-amoebic agents
ChEBI
anti-amoebic drug
ChEBI
anti-amoebic drugs
ChEBI
antiamoebic
ChEBI
antiamoebic agents
ChEBI
antiamoebic drug
ChEBI
antiamoebic drugs
ChEBI
antiamoebics
ChEBI
Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles.
0
C5H9NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
ONIBWKKTOPOVIA-BYPYZUCNSA-N
115.13050
115.06333
OC(=O)[C@@H]1CCCN1
CHEBI:13154
CHEBI:184637
CHEBI:21373
CHEBI:42067
CHEBI:45040
CHEBI:45100
CHEBI:45159
CHEBI:6286
Beilstein:80810
CAS:147-85-3
DrugBank:DB00172
Drug_Central:4125
Gmelin:50152
HMDB:HMDB0000162
KEGG:C00148
KEGG:D00035
KNApSAcK:C00001388
MetaCyc:PRO
PDBeChem:PRO
PMID:11076505
PMID:12770004
PMID:14975886
PMID:15576824
PMID:15838615
PMID:15894682
PMID:15973048
PMID:16033917
PMID:16190672
PMID:16501220
PMID:16656443
PMID:16657874
PMID:16668324
PMID:17127472
PMID:17608428
PMID:18551589
PMID:18802692
PMID:18973300
PMID:19215998
PMID:19580280
PMID:19656302
PMID:19688381
PMID:19811425
PMID:22139509
PMID:22201772
PMID:22451406
PMID:22475019
PMID:22482728
PMID:22491679
PMID:22770225
Reaxys:80810
Wikipedia:L-proline
L-Proline
L-proline
chebi_ontology
(-)-(S)-proline
(-)-2-pyrrolidinecarboxylic acid
(-)-proline
(2S)-pyrrolidine-2-carboxylic acid
(S)-2-carboxypyrrolidine
(S)-2-pyrrolidinecarboxylic acid
(S)-pyrrolidine-2-carboxylic acid
2-Pyrrolidinecarboxylic acid
L-(-)-proline
L-Prolin
L-alpha-pyrrolidinecarboxylic acid
L-pyrrolidine-2-carboxylic acid
P
PROLINE
prolina
proline
prolinum
CHEBI:17203
L-proline
Beilstein:80810
Beilstein
CAS:147-85-3
ChemIDplus
CAS:147-85-3
KEGG COMPOUND
CAS:147-85-3
NIST Chemistry WebBook
Drug_Central:4125
DrugCentral
Gmelin:50152
Gmelin
PMID:11076505
Europe PMC
PMID:12770004
Europe PMC
PMID:14975886
Europe PMC
PMID:15576824
Europe PMC
PMID:15838615
Europe PMC
PMID:15894682
Europe PMC
PMID:15973048
Europe PMC
PMID:16033917
Europe PMC
PMID:16190672
Europe PMC
PMID:16501220
Europe PMC
PMID:16656443
Europe PMC
PMID:16657874
Europe PMC
PMID:16668324
Europe PMC
PMID:17127472
Europe PMC
PMID:17608428
Europe PMC
PMID:18551589
Europe PMC
PMID:18802692
Europe PMC
PMID:18973300
Europe PMC
PMID:19215998
Europe PMC
PMID:19580280
Europe PMC
PMID:19656302
Europe PMC
PMID:19688381
Europe PMC
PMID:19811425
Europe PMC
PMID:22139509
Europe PMC
PMID:22201772
Europe PMC
PMID:22451406
Europe PMC
PMID:22475019
Europe PMC
PMID:22482728
Europe PMC
PMID:22491679
Europe PMC
PMID:22770225
Europe PMC
Reaxys:80810
Reaxys
L-Proline
KEGG_COMPOUND
L-proline
IUPAC
(-)-(S)-proline
NIST_Chemistry_WebBook
(-)-2-pyrrolidinecarboxylic acid
ChemIDplus
(-)-proline
ChemIDplus
(2S)-pyrrolidine-2-carboxylic acid
IUPAC
(S)-2-carboxypyrrolidine
DrugBank
(S)-2-pyrrolidinecarboxylic acid
ChemIDplus
(S)-pyrrolidine-2-carboxylic acid
ChEBI
2-Pyrrolidinecarboxylic acid
KEGG_COMPOUND
L-(-)-proline
NIST_Chemistry_WebBook
L-Prolin
ChEBI
L-alpha-pyrrolidinecarboxylic acid
ChemIDplus
L-pyrrolidine-2-carboxylic acid
ChemIDplus
P
ChEBI
PROLINE
PDBeChem
prolina
ChemIDplus
proline
ChemIDplus
prolinum
ChemIDplus
An aldohexose used as a source of energy and metabolic intermediate.
0
C6H12O6
180.15588
180.06339
CHEBI:14313
CHEBI:24277
CHEBI:33929
CHEBI:5418
CAS:50-99-7
KEGG:C00293
Wikipedia:Glucose
Glucose
gluco-hexose
glucose
chebi_ontology
DL-glucose
Glc
Glukose
CHEBI:17234
glucose
CAS:50-99-7
KEGG COMPOUND
Glucose
KEGG_COMPOUND
gluco-hexose
IUPAC
glucose
IUPAC
DL-glucose
ChEBI
Glc
JCBN
Glukose
ChEBI
A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.
0
C6H7N
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
93.12650
93.05785
Nc1ccccc1
CHEBI:13834
CHEBI:22561
CHEBI:2732
CHEBI:40796
Beilstein:605631
CAS:62-53-3
DrugBank:DB06728
Gmelin:2796
HMDB:HMDB0003012
KEGG:C00292
MetaCyc:ANILINE
PDBeChem:ANL
PMID:11304127
PMID:17135213
PMID:23821252
PMID:3779628
PMID:6205897
Reaxys:605631
Wikipedia:Aniline
ANILINE
Aniline
aniline
chebi_ontology
Anilin
Benzenamine
Phenylamine
aminobenzene
aminophen
benzeneamine
kyanol
CHEBI:17296
aniline
Beilstein:605631
Beilstein
CAS:62-53-3
ChemIDplus
CAS:62-53-3
KEGG COMPOUND
CAS:62-53-3
NIST Chemistry WebBook
Gmelin:2796
Gmelin
PMID:11304127
Europe PMC
PMID:17135213
Europe PMC
PMID:23821252
Europe PMC
PMID:3779628
Europe PMC
PMID:6205897
Europe PMC
Reaxys:605631
Reaxys
ANILINE
PDBeChem
Aniline
KEGG_COMPOUND
aniline
IUPAC
aniline
UniProt
Anilin
NIST_Chemistry_WebBook
Benzenamine
KEGG_COMPOUND
Phenylamine
KEGG_COMPOUND
aminobenzene
ChemIDplus
aminophen
ChemIDplus
benzeneamine
NIST_Chemistry_WebBook
kyanol
NIST_Chemistry_WebBook
Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
PMID:32015325
PMID:32256352
PMID:32413317
PMID:33495651
Wikipedia:Ferroptosis
chebi_ontology
ferroptosis inhibitors
CHEBI:173084
ferroptosis inhibitor
PMID:32015325
SUBMITTER
PMID:32256352
Europe PMC
PMID:32413317
Europe PMC
PMID:33495651
Europe PMC
ferroptosis inhibitors
ChEBI
Any member of the group of substituted penams containing two methyl substituents at position 2, a carboxylate substituent at position 3 and a carboxamido group at position 6.
0
C9H11N2O4SR
243.26000
243.04395
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O
CHEBI:14742
CHEBI:25869
CHEBI:7961
KEGG:C00395
PMID:11851248
PMID:12833570
PMID:1502708
PMID:16033609
PMID:7061385
PMID:7798534
Wikipedia:Penicillin
Penicillin
penicillins
chebi_ontology
penicillins
CHEBI:17334
penicillin
PMID:11851248
Europe PMC
PMID:12833570
Europe PMC
PMID:1502708
Europe PMC
PMID:16033609
Europe PMC
PMID:7061385
Europe PMC
PMID:7798534
Europe PMC
Penicillin
KEGG_COMPOUND
penicillins
IUPAC
penicillins
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
29.018
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
A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase.
0
C10H12N5O6P
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
IVOMOUWHDPKRLL-KQYNXXCUSA-N
329.20614
329.05252
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
CHEBI:11673
CHEBI:1325
CHEBI:19827
CHEBI:41588
Beilstein:52645
CAS:60-92-4
DrugBank:DB02527
HMDB:HMDB0000058
KEGG:C00575
KNApSAcK:C00001497
MetaCyc:CAMP
PDBeChem:CMP
PMID:16295522
PMID:18372334
PMID:22770225
Reaxys:52645
Wikipedia:Cyclic_AMP
3',5'-Cyclic AMP
adenosine 3',5'-(hydrogen phosphate)
chebi_ontology
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Adenosine 3',5'-cyclic phosphate
Adenosine 3',5'-phosphate
Cyclic AMP
Cyclic adenylic acid
adenosine 3',5'-cyclic monophosphate
cAMP
CHEBI:17489
3',5'-cyclic AMP
Beilstein:52645
Beilstein
CAS:60-92-4
ChemIDplus
CAS:60-92-4
KEGG COMPOUND
CAS:60-92-4
NIST Chemistry WebBook
PMID:16295522
Europe PMC
PMID:18372334
Europe PMC
PMID:22770225
Europe PMC
Reaxys:52645
Reaxys
3',5'-Cyclic AMP
KEGG_COMPOUND
adenosine 3',5'-(hydrogen phosphate)
IUPAC
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
PDBeChem
Adenosine 3',5'-cyclic phosphate
KEGG_COMPOUND
Adenosine 3',5'-phosphate
KEGG_COMPOUND
Cyclic AMP
KEGG_COMPOUND
Cyclic adenylic acid
KEGG_COMPOUND
adenosine 3',5'-cyclic monophosphate
NIST_Chemistry_WebBook
cAMP
KEGG_COMPOUND
A molecular entity that can undergo oxidation by the loss of hydrogen atom(s).
0
RH2
2.016
2.01565
*([H])[H]
CHEBI:13233
CHEBI:15018
CHEBI:8785
KEGG:C00030
chebi_ontology
AH2
Donor
Hydrogen-donor
Reduced acceptor
CHEBI:17499
hydrogen donor
AH2
KEGG_COMPOUND
AH2
UniProt
Donor
KEGG_COMPOUND
Hydrogen-donor
KEGG_COMPOUND
Reduced acceptor
KEGG_COMPOUND
A pseudohalide anion that is the conjugate base of hydrogen cyanide.
-1
CN
InChI=1S/CN/c1-2/q-1
XFXPMWWXUTWYJX-UHFFFAOYSA-N
26.01740
26.00362
[C-]#N
CHEBI:14038
CHEBI:3969
CHEBI:41780
Beilstein:1900509
CAS:57-12-5
Gmelin:89
HMDB:HMDB0002084
KEGG:C00177
MetaCyc:CPD-13584
PDBeChem:CYN
PMID:11386635
PMID:14871577
PMID:17554165
PMID:7839575
Reaxys:1900509
Wikipedia:Cyanide
Cyanide
cyanide
nitridocarbonate(1-)
chebi_ontology
CN(-)
CN-
CYANIDE ION
Prussiate
Zyanid
CHEBI:17514
cyanide
Beilstein:1900509
Beilstein
CAS:57-12-5
ChemIDplus
CAS:57-12-5
KEGG COMPOUND
CAS:57-12-5
NIST Chemistry WebBook
Gmelin:89
Gmelin
PMID:11386635
Europe PMC
PMID:14871577
Europe PMC
PMID:17554165
Europe PMC
PMID:7839575
Europe PMC
Reaxys:1900509
Reaxys
Cyanide
ChEBI
Cyanide
KEGG_COMPOUND
cyanide
IUPAC
nitridocarbonate(1-)
IUPAC
CN(-)
IUPAC
CN-
KEGG_COMPOUND
CYANIDE ION
PDBeChem
Prussiate
KEGG_COMPOUND
Zyanid
ChEBI
A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group).
0
(CH2O)nC2H6O2
CHEBI:13754
CHEBI:22298
CHEBI:2556
KEGG:C00717
Wikipedia:Glycerin
Alditol
alditol
chebi_ontology
Glycitol
Sugar alcohol
alditols
CHEBI:17522
alditol
Alditol
KEGG_COMPOUND
alditol
UniProt
Glycitol
KEGG_COMPOUND
Sugar alcohol
KEGG_COMPOUND
alditols
ChEBI
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
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
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
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
Any D-aldose having a chain of six carbon atoms in the molecule.
0
C6H12O6
180.156
180.06339
CHEBI:12990
CHEBI:21038
chebi_ontology
D-aldohexoses
CHEBI:17608
D-aldohexose
D-aldohexoses
ChEBI
0
C18H36N4O11
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
SBUJHOSQTJFQJX-NOAMYHISSA-N
484.49860
484.23806
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
CHEBI:14487
CHEBI:24945
CHEBI:24947
CHEBI:43482
CHEBI:6106
Beilstein:61647
CAS:59-01-8
DrugBank:DB01172
Drug_Central:1519
Gmelin:2044856
KEGG:C01822
LINCS:LSM-5261
PDBeChem:KAN
PMID:22907688
PMID:24336356
PMID:24566637
VSDB:1921
Wikipedia:Kanamycin
(1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
KANAMYCIN A
Kanamycin A
chebi_ontology
4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside
4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine
CHEBI:17630
kanamycin A
Beilstein:61647
Beilstein
CAS:59-01-8
ChemIDplus
CAS:59-01-8
KEGG COMPOUND
Drug_Central:1519
DrugCentral
Gmelin:2044856
Gmelin
PMID:22907688
Europe PMC
PMID:24336356
Europe PMC
PMID:24566637
Europe PMC
(1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
IUPAC
KANAMYCIN A
PDBeChem
Kanamycin A
KEGG_COMPOUND
4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside
ChemIDplus
4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside
ChemIDplus
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine
ChemIDplus
A glucose with D-configuration.
0
C6H12O6
180.15588
180.06339
CHEBI:12965
CHEBI:20999
CAS:50-99-7
D-gluco-hexose
D-glucose
chebi_ontology
D(+)-glucose
D-(+)-glucose
Traubenzucker
dextrose
grape sugar
CHEBI:17634
D-glucose
CAS:50-99-7
ChemIDplus
CAS:50-99-7
NIST Chemistry WebBook
D-gluco-hexose
IUPAC
D-glucose
IUPAC
D(+)-glucose
ChemIDplus
D-(+)-glucose
NIST_Chemistry_WebBook
Traubenzucker
ChemIDplus
dextrose
NIST_Chemistry_WebBook
grape sugar
ChemIDplus
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
A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It is found naturally as a fermentation product of Streptomyces fradiae.
0
C46H77NO17
InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
WBPYTXDJUQJLPQ-VMXQISHHSA-N
916.10010
915.51915
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
CHEBI:15275
CHEBI:27172
CHEBI:46150
CHEBI:9787
CAS:1401-69-0
HMDB:HMDB0034108
KEGG:C01457
KEGG:D02490
LIPID_MAPS_instance:LMPK04000004
MetaCyc:TYLOSIN
PDBeChem:TYK
PMID:18836909
PMID:23013044
PMID:23352520
PMID:23397987
PMID:23398744
PMID:23928021
PMID:23985521
PMID:24063615
PMID:24113548
PMID:24201036
PMID:24270892
PMID:24393633
PMID:7867337
Patent:US2004082524
Reaxys:4651020
Wikipedia:Tylosin
Tylosin
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside
chebi_ontology
Tylan
Tylocine
Tylosin A
tilosina
tylosin
tylosine
tylosinum
CHEBI:17658
tylosin
CAS:1401-69-0
ChemIDplus
CAS:1401-69-0
KEGG COMPOUND
LIPID_MAPS_instance:LMPK04000004
LIPID MAPS
PMID:18836909
Europe PMC
PMID:23013044
Europe PMC
PMID:23352520
Europe PMC
PMID:23397987
Europe PMC
PMID:23398744
Europe PMC
PMID:23928021
Europe PMC
PMID:23985521
Europe PMC
PMID:24063615
Europe PMC
PMID:24113548
Europe PMC
PMID:24201036
Europe PMC
PMID:24270892
Europe PMC
PMID:24393633
Europe PMC
PMID:7867337
Europe PMC
Reaxys:4651020
Reaxys
Tylosin
KEGG_COMPOUND
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside
IUPAC
Tylan
ChemIDplus
Tylocine
ChemIDplus
Tylosin A
ChemIDplus
tilosina
ChemIDplus
tylosin
ChemIDplus
tylosine
ChemIDplus
tylosinum
ChemIDplus
Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).
vitamin B3
chebi_ontology
vitamin B-3
vitamin B3 vitamer
vitamin B3 vitamers
vitamins B3
CHEBI:176839
vitamin B3
vitamin B3
ChEBI
vitamin B-3
ChEBI
vitamin B3 vitamer
ChEBI
vitamin B3 vitamers
ChEBI
vitamins B3
ChEBI
An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions.
0
C11H12Cl2N2O5
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
WIIZWVCIJKGZOK-RKDXNWHRSA-N
323.130
322.01233
C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O
CHEBI:13965
CHEBI:23106
CHEBI:23108
CHEBI:3603
CHEBI:47327
Beilstein:2225532
CAS:56-75-7
Chemspider:5744
DrugBank:DB00446
Drug_Central:589
HMDB:HMDB0014589
KEGG:C00918
KEGG:D00104
LINCS:LSM-5256
MetaCyc:CHLORAMPHENICOL
PDBeChem:CLM
PMID:11468347
PMID:12217690
PMID:16659995
PMID:16897441
PMID:17217404
PMID:17692887
PMID:17963326
PMID:18559535
PMID:18657290
PMID:18794387
PMID:23142491
PMID:23317719
PMID:23395526
PMID:23494278
PMID:23512826
PMID:23698443
PMID:657786
PMID:6653106
PMID:7040026
Patent:GB795131
Patent:GB796901
Patent:US2483871
Patent:US2483884
Patent:US2483892
Patent:US2839577
Pesticides:chloramphenicol
VSDB:1835
Wikipedia:Chloramphenicol
2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
CHLORAMPHENICOL
Chloramphenicol
chloramphenicol
chebi_ontology
(-)-chloramphenicol
Amphicol
Chloramex
Chlorocid
Chlorocol
Chloromycetin
D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide
D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol
Econochlor
Fenicol
Globenicol
Halomycetin
Oleomycetin
Sificetina
chloramphenicol
chloramphenicolum
chlornitromycin
cloramfenicol
laevomycetinum
levomicetina
levomycetin
CHEBI:17698
chloramphenicol
Beilstein:2225532
Beilstein
CAS:56-75-7
ChemIDplus
CAS:56-75-7
NIST Chemistry WebBook
Drug_Central:589
DrugCentral
PMID:11468347
Europe PMC
PMID:12217690
Europe PMC
PMID:16659995
Europe PMC
PMID:16897441
Europe PMC
PMID:17217404
Europe PMC
PMID:17692887
Europe PMC
PMID:17963326
Europe PMC
PMID:18559535
Europe PMC
PMID:18657290
Europe PMC
PMID:18794387
Europe PMC
PMID:23142491
Europe PMC
PMID:23317719
Europe PMC
PMID:23395526
Europe PMC
PMID:23494278
Europe PMC
PMID:23512826
Europe PMC
PMID:23698443
Europe PMC
PMID:657786
Europe PMC
PMID:6653106
Europe PMC
PMID:7040026
Europe PMC
Pesticides:chloramphenicol
Alan Wood's Pesticides
2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
IUPAC
CHLORAMPHENICOL
PDBeChem
Chloramphenicol
KEGG_COMPOUND
chloramphenicol
UniProt
(-)-chloramphenicol
ChEBI
Amphicol
KEGG_DRUG
Chloramex
ChemIDplus
Chlorocid
ChemIDplus
Chlorocol
ChemIDplus
Chloromycetin
ChemIDplus
D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide
ChemIDplus
D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol
ChemIDplus
Econochlor
KEGG_DRUG
Fenicol
ChemIDplus
Globenicol
ChemIDplus
Halomycetin
ChemIDplus
Oleomycetin
ChemIDplus
Sificetina
ChemIDplus
chloramphenicol
WHO_MedNet
chloramphenicolum
WHO_MedNet
chlornitromycin
ChEBI
cloramfenicol
WHO_MedNet
laevomycetinum
ChemIDplus
levomicetina
ChemIDplus
levomycetin
ChemIDplus
The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.
0
CH4O
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
32.04186
32.02621
CO
CHEBI:14588
CHEBI:25227
CHEBI:44080
CHEBI:44553
CHEBI:6816
Beilstein:1098229
CAS:67-56-1
Gmelin:449
HMDB:HMDB0001875
KEGG:C00132
KEGG:D02309
MetaCyc:METOH
PDBeChem:MOH
PMID:11141607
PMID:11430978
PMID:11489599
PMID:11680737
PMID:11684179
PMID:14012711
PMID:14678513
PMID:14760634
PMID:15172721
PMID:15906011
PMID:16705261
PMID:17451998
PMID:17733096
PMID:19064074
PMID:19850112
PMID:20314698
Reaxys:1098229
UM-BBD_compID:c0132
Wikipedia:Methanol
METHANOL
Methanol
methanol
chebi_ontology
CH3OH
MeOH
Methyl alcohol
Methylalkohol
carbinol
spirit of wood
wood alcohol
wood naphtha
wood spirit
CHEBI:17790
methanol
Beilstein:1098229
Beilstein
CAS:67-56-1
ChemIDplus
CAS:67-56-1
KEGG COMPOUND
CAS:67-56-1
NIST Chemistry WebBook
Gmelin:449
Gmelin
PMID:11141607
Europe PMC
PMID:11430978
Europe PMC
PMID:11489599
Europe PMC
PMID:11680737
Europe PMC
PMID:11684179
Europe PMC
PMID:14012711
Europe PMC
PMID:14678513
Europe PMC
PMID:14760634
Europe PMC
PMID:15172721
Europe PMC
PMID:15906011
Europe PMC
PMID:16705261
Europe PMC
PMID:17451998
Europe PMC
PMID:17733096
Europe PMC
PMID:19064074
Europe PMC
PMID:19850112
Europe PMC
PMID:20314698
Europe PMC
Reaxys:1098229
Reaxys
UM-BBD_compID:c0132
UM-BBD
METHANOL
PDBeChem
Methanol
KEGG_COMPOUND
methanol
IUPAC
methanol
UniProt
CH3OH
ChEBI
MeOH
ChEBI
Methyl alcohol
KEGG_COMPOUND
Methylalkohol
NIST_Chemistry_WebBook
carbinol
ChemIDplus
spirit of wood
HMDB
wood alcohol
ChemIDplus
wood naphtha
ChemIDplus
wood spirit
NIST_Chemistry_WebBook
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
An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.
0
C3H7NO3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
MTCFGRXMJLQNBG-UHFFFAOYSA-N
105.09262
105.04259
NC(CO)C(O)=O
CHEBI:15081
CHEBI:26648
CHEBI:9116
Beilstein:1721402
CAS:302-84-1
Gmelin:26429
KEGG:C00716
KNApSAcK:C00001393
Reaxys:1721402
Wikipedia:Serine
Serine
serine
chebi_ontology
2-Amino-3-hydroxypropionic acid
2-amino-3-hydroxypropanoic acid
3-Hydroxyalanine
Serin
CHEBI:17822
serine
Beilstein:1721402
Beilstein
CAS:302-84-1
ChemIDplus
CAS:302-84-1
KEGG COMPOUND
CAS:302-84-1
NIST Chemistry WebBook
Gmelin:26429
Gmelin
Reaxys:1721402
Reaxys
Serine
KEGG_COMPOUND
serine
IUPAC
2-Amino-3-hydroxypropionic acid
KEGG_COMPOUND
2-amino-3-hydroxypropanoic acid
IUPAC
3-Hydroxyalanine
KEGG_COMPOUND
Serin
ChEBI
Any of a group of aminoglycoside antibiotics produced by fermentation of some Micromonospora spp.
CHEBI:14293
CHEBI:24206
CHEBI:24212
CHEBI:5306
CAS:1403-66-3
DrugBank:DB00798
KEGG:C00505
4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside
chebi_ontology
Gentamicin
gentamycins
CHEBI:17833
gentamycin
CAS:1403-66-3
KEGG COMPOUND
4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside
IUPAC
Gentamicin
KEGG_COMPOUND
gentamycins
ChEBI
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
D-Glucopyranose having alpha-configuration at the anomeric centre.
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
WQZGKKKJIJFFOK-DVKNGEFBSA-N
180.15588
180.06339
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CHEBI:10242
CHEBI:12318
CHEBI:22386
CHEBI:40557
CHEBI:42802
Beilstein:1281608
Beilstein:5730158
CAS:492-62-6
GlyGen:G58161NS
GlyTouCan:G58161NS
Gmelin:329225
KEGG:C00267
KNApSAcK:C00001122
PDBeChem:GLC
PMID:19443021
PMID:25568069
PMID:31537530
ALPHA-D-GLUCOSE
alpha-D-Glucose
alpha-D-glucopyranose
alpha-D-glucose
chebi_ontology
WURCS=2.0/1,1,0/[a2122h-1a_1-5]/1/
alpha-D-Glc
alpha-dextrose
CHEBI:17925
alpha-D-glucose
Beilstein:1281608
Beilstein
Beilstein:5730158
Beilstein
CAS:492-62-6
ChemIDplus
CAS:492-62-6
KEGG COMPOUND
CAS:492-62-6
NIST Chemistry WebBook
Gmelin:329225
Gmelin
PMID:19443021
Europe PMC
PMID:25568069
Europe PMC
PMID:31537530
Europe PMC
ALPHA-D-GLUCOSE
PDBeChem
alpha-D-Glucose
KEGG_COMPOUND
alpha-D-glucopyranose
IUPAC
alpha-D-glucose
UniProt
WURCS=2.0/1,1,0/[a2122h-1a_1-5]/1/
GlyTouCan
alpha-D-Glc
ChEBI
alpha-dextrose
ChemIDplus
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
FooDB:FDB006557
Gmelin:14910
HMDB:HMDB0000492
KEGG:C00698
MetaCyc:CL-
PDBeChem:CL
PMID:38280867
PMID:38573803
PMID:38604039
UM-BBD_compID:c0884
Wikipedia:Chloride
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
PMID:38280867
Europe PMC
PMID:38573803
Europe PMC
PMID:38604039
Europe PMC
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
Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose).
CHEBI:14399
CHEBI:24590
CHEBI:5709
GlyGen:G70994MS
GlyTouCan:G70994MS
KEGG:C00738
Hexose
chebi_ontology
WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/
hexoses
CHEBI:18133
hexose
Hexose
KEGG_COMPOUND
WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/
GlyTouCan
hexoses
ChEBI
0
HX
1.008
1.00783
*[H]
CHEBI:13368
CHEBI:37140
CHEBI:5599
hydrogen halide
hydrogen halides
chebi_ontology
hydrogen halides
CHEBI:18140
hydrogen halide
hydrogen halide
IUPAC
hydrogen halides
IUPAC
hydrogen halides
ChEBI
A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues.
CHEBI:14864
CHEBI:26205
CHEBI:8322
KEGG:C00420
Polysaccharide
polysaccharides
chebi_ontology
Glycan
Glycane
Glykan
Glykane
glycans
polisacarido
polisacaridos
CHEBI:18154
polysaccharide
Polysaccharide
KEGG_COMPOUND
polysaccharides
IUPAC
Glycan
KEGG_COMPOUND
Glycane
ChEBI
Glykan
ChEBI
Glykane
ChEBI
glycans
IUPAC
polisacarido
ChEBI
polisacaridos
IUPAC
A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.
0
C16H18N2O4S
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
JGSARLDLIJGVTE-MBNYWOFBSA-N
334.392
334.09873
N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O
CHEBI:14743
CHEBI:25866
CHEBI:45073
CHEBI:7962
Beilstein:44740
CAS:61-33-6
DrugBank:DB01053
Drug_Central:2082
Gmelin:781913
HMDB:HMDB0015186
KEGG:C05551
KEGG:D02336
LINCS:LSM-3229
PDBeChem:PNN
PMID:10930630
PMID:11431418
PMID:11906332
PMID:12569987
PMID:12850488
PMID:1384868
PMID:16033609
PMID:1709917
PMID:2083978
PMID:24485692
PMID:24631718
PMID:25998949
PMID:27731424
PMID:29017833
PMID:29355985
PMID:6161899
PMID:7602118
PMID:7716788
Patent:US3024169
Reaxys:44740
Wikipedia:Benzylpenicillin
2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
Benzylpenicillin
chebi_ontology
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-(2-phenylacetamido)penicillanic acid
PCG
PENICILLIN G
PG
Penicillin G
bencilpenicilina
bensylpenicillin
benzyl benicillin
benzylpenicillin
benzylpenicilline
benzylpenicillinic acid
benzylpenicillinum
free penicillin II
CHEBI:18208
benzylpenicillin
Beilstein:44740
Beilstein
CAS:61-33-6
ChemIDplus
CAS:61-33-6
KEGG COMPOUND
Drug_Central:2082
DrugCentral
Gmelin:781913
Gmelin
PMID:10930630
Europe PMC
PMID:11431418
Europe PMC
PMID:11906332
Europe PMC
PMID:12569987
Europe PMC
PMID:12850488
Europe PMC
PMID:1384868
Europe PMC
PMID:16033609
Europe PMC
PMID:1709917
Europe PMC
PMID:2083978
Europe PMC
PMID:24485692
Europe PMC
PMID:24631718
Europe PMC
PMID:25998949
Europe PMC
PMID:27731424
Europe PMC
PMID:29017833
Europe PMC
PMID:29355985
Europe PMC
PMID:6161899
Europe PMC
PMID:7602118
Europe PMC
PMID:7716788
Europe PMC
Reaxys:44740
Reaxys
2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid
IUPAC
Benzylpenicillin
KEGG_COMPOUND
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
ChEBI
6-(2-phenylacetamido)penicillanic acid
ChemIDplus
PCG
ChEBI
PENICILLIN G
PDBeChem
PG
ChEBI
Penicillin G
KEGG_COMPOUND
bencilpenicilina
ChemIDplus
bensylpenicillin
ChEBI
benzyl benicillin
ChEBI
benzylpenicillin
KEGG_DRUG
benzylpenicilline
ChemIDplus
benzylpenicillinic acid
ChemIDplus
benzylpenicillinum
ChemIDplus
free penicillin II
ChemIDplus
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
An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.
0
C5H12N2O2
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
AHLPHDHHMVZTML-UHFFFAOYSA-N
132.16106
132.08988
NCCCC(N)C(O)=O
CHEBI:7784
Beilstein:1722296
CAS:616-07-9
Gmelin:847696
KEGG:C01602
KNApSAcK:C00001384
PMID:15449570
PMID:17190852
PMID:22264337
Reaxys:1722296
2,5-diaminopentanoic acid
Ornithine
ornithine
chebi_ontology
2,5-Diaminopentanoic acid
2,5-Diaminovaleric acid
DL-Ornithine
Orn
CHEBI:18257
ornithine
Beilstein:1722296
Beilstein
CAS:616-07-9
ChemIDplus
Gmelin:847696
Gmelin
PMID:15449570
Europe PMC
PMID:17190852
Europe PMC
PMID:22264337
Europe PMC
Reaxys:1722296
Reaxys
2,5-diaminopentanoic acid
IUPAC
Ornithine
KEGG_COMPOUND
ornithine
IUPAC
2,5-Diaminopentanoic acid
KEGG_COMPOUND
2,5-Diaminovaleric acid
KEGG_COMPOUND
DL-Ornithine
ChemIDplus
Orn
IUPAC
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
0
Mn
InChI=1S/Mn
PWHULOQIROXLJO-UHFFFAOYSA-N
54.93805
54.93804
[Mn]
CHEBI:13382
CHEBI:25153
CHEBI:6681
CAS:7439-96-5
KEGG:C00034
WebElements:Mn
manganese
chebi_ontology
25Mn
Mangan
Manganese
Mn
manganese
manganeso
manganum
CHEBI:18291
manganese atom
CAS:7439-96-5
ChemIDplus
CAS:7439-96-5
KEGG COMPOUND
manganese
IUPAC
25Mn
IUPAC
Mangan
NIST_Chemistry_WebBook
Manganese
KEGG_COMPOUND
Mn
IUPAC
Mn
UniProt
manganese
ChEBI
manganeso
ChEBI
manganum
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
The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.
0
C4H10O2S2
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
VHJLVAABSRFDPM-UHFFFAOYSA-N
154.25100
154.01222
OC(CS)C(O)CS
CHEBI:11174
CHEBI:23854
CHEBI:4664
Beilstein:8144556
CAS:3483-12-3
DrugBank:DB04447
KEGG:C00265
LINCS:LSM-36870
PMID:16901854
PMID:18022205
PMID:23673948
PMID:24124079
PMID:7592847
1,4-Dithiothreitol
1,4-dithiothreitol
rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol
chebi_ontology
(R*,R*)-1,4-dimercapto-2,3-butanediol
Cleland's reagent
DL-threo-1,4-Dimercapto-2,3-butanediol
DTL
DTT
Dithiothreitol
Dithiotreitol
rac-Dithiothreitol
threo-1,4-Dimercapto-2,3-butanediol
CHEBI:18320
1,4-dithiothreitol
Beilstein:8144556
Beilstein
CAS:3483-12-3
ChemIDplus
CAS:3483-12-3
KEGG COMPOUND
CAS:3483-12-3
NIST Chemistry WebBook
PMID:16901854
Europe PMC
PMID:18022205
Europe PMC
PMID:23673948
Europe PMC
PMID:24124079
Europe PMC
PMID:7592847
Europe PMC
1,4-Dithiothreitol
KEGG_COMPOUND
1,4-dithiothreitol
UniProt
rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol
IUPAC
(R*,R*)-1,4-dimercapto-2,3-butanediol
NIST_Chemistry_WebBook
Cleland's reagent
NIST_Chemistry_WebBook
DL-threo-1,4-Dimercapto-2,3-butanediol
ChemIDplus
DTL
ChEBI
DTT
ChEBI
Dithiothreitol
KEGG_COMPOUND
Dithiotreitol
ChemIDplus
rac-Dithiothreitol
ChemIDplus
threo-1,4-Dimercapto-2,3-butanediol
KEGG_COMPOUND
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
Wikipedia:Phosphate
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
A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate.
0
C5H7O5PR2
178.07980
178.00311
OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1
CHEBI:1331
CHEBI:14672
CHEBI:19833
chebi_ontology
nucleoside 3',5'-cyclic phosphates
CHEBI:18375
nucleoside 3',5'-cyclic phosphate
nucleoside 3',5'-cyclic phosphates
ChEBI
A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.
0
CNR
26.01740
26.00307
[*]C#N
CHEBI:13212
CHEBI:13426
CHEBI:13660
CHEBI:25547
CHEBI:7584
KEGG:C00726
Nitrile
nitrile
nitriles
chebi_ontology
Nitril
R-CN
a nitrile
nitrilos
CHEBI:18379
nitrile
Nitrile
KEGG_COMPOUND
nitrile
IUPAC
nitriles
IUPAC
Nitril
ChEBI
R-CN
KEGG_COMPOUND
a nitrile
UniProt
nitrilos
IUPAC
A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom
0
CHN
InChI=1S/CHN/c1-2/h1H
LELOWRISYMNNSU-UHFFFAOYSA-N
27.02530
27.01090
C#N
CHEBI:13362
CHEBI:5786
CAS:74-90-8
HMDB:HMDB0060292
KEGG:C01326
KNApSAcK:C00007569
MetaCyc:HCN
PMID:19849830
PMID:26700190
PMID:26778429
PMID:26823582
PMID:26940198
PMID:27123778
Reaxys:1718793
Wikipedia:Hydrogen_cyanide
Hydrogen cyanide
hydridonitridocarbon
hydrogen cyanide
hydrogen(nitridocarbonate)
methanenitrile
chebi_ontology
Blausaeure
Cyanwasserstoff
HCN
[CHN]
formonitrile
hydrocyanic acid
CHEBI:18407
hydrogen cyanide
CAS:74-90-8
ChemIDplus
CAS:74-90-8
KEGG COMPOUND
CAS:74-90-8
NIST Chemistry WebBook
PMID:19849830
Europe PMC
PMID:26700190
Europe PMC
PMID:26778429
Europe PMC
PMID:26823582
Europe PMC
PMID:26940198
Europe PMC
PMID:27123778
Europe PMC
Reaxys:1718793
Reaxys
Hydrogen cyanide
KEGG_COMPOUND
hydridonitridocarbon
IUPAC
hydrogen cyanide
IUPAC
hydrogen cyanide
UniProt
hydrogen(nitridocarbonate)
IUPAC
methanenitrile
IUPAC
Blausaeure
ChEBI
Cyanwasserstoff
NIST_Chemistry_WebBook
HCN
KEGG_COMPOUND
[CHN]
IUPAC
formonitrile
IUPAC
hydrocyanic acid
NIST_Chemistry_WebBook
A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3.
+2
C8H20N6O4
InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/p+2/t1-,2+,3-,4+,5-,6-
MSXMXWJPFIDEMT-FAEUDGQSSA-P
264.285
264.15351
NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=[NH2+])[C@@H]1O
{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium)
chebi_ontology
streptidine
streptidine dication
{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium)
CHEBI:184376
streptidine(2+)
{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium)
IUPAC
streptidine
UniProt
streptidine dication
ChEBI
{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium)
IUPAC
0
C66H103N17O16S
InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1
CLKOFPXJLQSYAH-ABRJDSQDSA-N
1422.710
1421.74894
[C@@H]1(C(N[C@H](CC=2C=CC=CC2)C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(NCCCC[C@@H](C(N[C@@H](C(N1)=O)CCC[NH3+])=O)NC([C@@H](NC([C@H](NC([C@@H](NC([C@H]3N=C(SC3)[C@H]([C@H](CC)C)[NH3+])=O)CC(C)C)=O)CCC([O-])=O)=O)[C@@H](C)CC)=O)=O)CC(N)=O)=O)CC(=O)[O-])=O)CC4=CNC=N4)=O)[C@@H](C)CC
MetaCyc:CPD-19353
chebi_ontology
bacitracin A
CHEBI:184381
bacitracin A zwitterion
MetaCyc:CPD-19353
SUBMITTER
bacitracin A
UniProt
A lactone having a six-membered lactone ring.
delta-lactone
chebi_ontology
1,5-lactone
1,5-lactones
delta-lactona
delta-lactonas
delta-lactones
CHEBI:18946
delta-lactone
delta-lactone
ChEBI
1,5-lactone
ChEBI
1,5-lactones
ChEBI
delta-lactona
ChEBI
delta-lactonas
ChEBI
delta-lactones
ChEBI
A potassium salt that lacks C-H bonds
chebi_ontology
CHEBI:190303
inorganic potassium salt
Zwitterionic form of imipenem having an anionic carboxy group and a protonated methaneimidamido group; major species at pH 7.3.
0
C12H17N3O4S
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
ZSKVGTPCRGIANV-ZXFLCMHBSA-N
299.350
299.09398
[H]C(=[NH2+])NCCSC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1)C([O-])=O
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminiomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
chebi_ontology
imipenem
CHEBI:190509
imipenem zwitterion
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminiomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC
imipenem
UniProt
chebi_ontology
11alpha-hydroxy steroids
CHEBI:19129
11alpha-hydroxy steroid
11alpha-hydroxy steroids
ChEBI
A zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
0
C17H18FN3O3
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
MYSWGUAQZAJSOK-UHFFFAOYSA-N
331.347
331.13322
[O-]C(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O
MetaCyc:CPD-12843
PMID:11202360
PMID:12084502
PMID:21368411
PMID:9303400
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate
chebi_ontology
CHEBI:192484
ciprofloxacin zwitterion
PMID:11202360
SUBMITTER
PMID:12084502
SUBMITTER
PMID:21368411
Europe PMC
PMID:9303400
SUBMITTER
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate
IUPAC
A secondary ammonium ion that is the conjugate acid of ciprofloxacin resulting from the protonation of the NH group; major species at acidic pH.
+1
C17H19FN3O3
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1
MYSWGUAQZAJSOK-UHFFFAOYSA-O
332.355
332.14050
OC(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O
PMID:35371545
4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium
chebi_ontology
ciprofloxacin cation
CHEBI:192486
ciprofloxacin(1+)
PMID:35371545
Europe PMC
4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium
IUPAC
ciprofloxacin cation
ChEBI
0
C47H75NO16
InChI=1S/C47H75NO16/c1-28-18-15-13-11-9-7-5-6-8-10-12-14-16-21-36(63-46-44(57)41(48)43(56)31(4)62-46)25-38-40(45(58)59)37(53)27-47(60,64-38)26-33(50)20-17-19-32(49)22-34(51)23-35(52)24-39(54)61-30(3)29(2)42(28)55/h5-6,8,10-16,18,21,28-38,40-44,46,49-53,55-57,60H,7,9,17,19-20,22-27,48H2,1-4H3,(H,58,59)/b6-5+,10-8+,13-11+,14-12+,18-15+,21-16+/t28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
RALQCAVZSAUESR-XTEMEEEFSA-N
910.108
909.50859
[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
CAS:65086-32-0
PMID:15504830
(1R,3S,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,7,9,11,17,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
nystatin A2
chebi_ontology
CHEBI:192979
nystatin A2
CAS:65086-32-0
ChemIDplus
PMID:15504830
Europe PMC
(1R,3S,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,7,9,11,17,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
IUPAC
nystatin A2
ChemIDplus
An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.
0
C18H20FN3O4
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
GSDSWSVVBLHKDQ-UHFFFAOYSA-N
361.373
361.14378
CC1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
chebi_ontology
CHEBI:194135
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
IUPAC
chebi_ontology
3',5'-cyclic purine nucleotides
CHEBI:19834
3',5'-cyclic purine nucleotide
3',5'-cyclic purine nucleotides
ChEBI
A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.
0
C16H17N5O7S2
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
GPRBEKHLDVQUJE-QSWIMTSFSA-N
455.46500
455.05694
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
CHEBI:112504
CHEBI:3497
CHEBI:41475
Beilstein:1096643
CAS:63527-52-6
DrugBank:DB00493
Drug_Central:546
KEGG:C06885
KEGG:D07647
PDBeChem:CE3
PMID:10866367
PMID:11034276
PMID:11061623
PMID:11677129
PMID:12833570
PMID:1384868
PMID:14512220
PMID:1502708
PMID:15164972
PMID:15361989
PMID:15969234
PMID:1635063
PMID:17006042
PMID:17386217
PMID:18611527
PMID:19741292
PMID:21425867
PMID:24038683
PMID:24211456
PMID:29017833
PMID:9131470
Patent:DE2556736
Patent:DE2702501
Patent:US4098888
Patent:US4152432
Reaxys:1096643
Wikipedia:Cefotaxime
3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cephotaxime
cefotaxima
cefotaxime
cefotaximum
CHEBI:204928
cefotaxime
Beilstein:1096643
Beilstein
CAS:63527-52-6
ChemIDplus
CAS:63527-52-6
DrugBank
CAS:63527-52-6
KEGG COMPOUND
CAS:63527-52-6
KEGG DRUG
Drug_Central:546
DrugCentral
PMID:10866367
ChEMBL
PMID:11034276
Europe PMC
PMID:11061623
Europe PMC
PMID:11677129
ChEMBL
PMID:12833570
Europe PMC
PMID:1384868
Europe PMC
PMID:14512220
Europe PMC
PMID:1502708
Europe PMC
PMID:15164972
Europe PMC
PMID:15361989
Europe PMC
PMID:15969234
Europe PMC
PMID:1635063
ChEMBL
PMID:17006042
Europe PMC
PMID:17386217
Europe PMC
PMID:18611527
Europe PMC
PMID:19741292
Europe PMC
PMID:21425867
Europe PMC
PMID:24038683
Europe PMC
PMID:24211456
Europe PMC
PMID:29017833
Europe PMC
PMID:9131470
Europe PMC
Reaxys:1096643
Reaxys
3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEMBL
(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEMBL
Cephotaxime
ChemIDplus
cefotaxima
ChemIDplus
cefotaxime
KEGG_DRUG
cefotaximum
ChemIDplus
A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase.
chebi_ontology
CHEBI:20854
ATP synthase inhibitor
A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase.
0
C16H17N3O7S2
InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
427.45200
427.05079
[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)Cc1cccs1)OC)C(O)=O
CHEBI:3500
CHEBI:41436
CHEBI:471714
CHEBI:658070
Beilstein:4216947
CAS:35607-66-0
DrugBank:DB01331
Drug_Central:550
HMDB:HMDB0015426
KEGG:C06887
KEGG:D02345
LINCS:LSM-5786
PDBeChem:CFX
PMID:12569987
PMID:17043131
PMID:17178800
PMID:17220412
PMID:17353248
PMID:17387156
PMID:17923492
PMID:18056283
PMID:18070972
PMID:2083978
PMID:29017833
PMID:8360877
Patent:DE2129675
Patent:DE2203653
Patent:US4297488
Reaxys:4216947
Wikipedia:Cefoxitin
(6R,7S)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid
Cefoxitin
chebi_ontology
(6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CFX
Cephoxitin
Rephoxitin
cefoxitin
cefoxitina
cefoxitine
cefoxitinum
ceftoxitin
CHEBI:209807
cefoxitin
Beilstein:4216947
Beilstein
CAS:35607-66-0
ChemIDplus
CAS:35607-66-0
KEGG COMPOUND
Drug_Central:550
DrugCentral
PMID:12569987
Europe PMC
PMID:17043131
ChEMBL
PMID:17178800
ChEMBL
PMID:17220412
ChEMBL
PMID:17353248
ChEMBL
PMID:17387156
ChEMBL
PMID:17923492
ChEMBL
PMID:18056283
ChEMBL
PMID:18070972
ChEMBL
PMID:2083978
Europe PMC
PMID:29017833
Europe PMC
PMID:8360877
ChEMBL
Reaxys:4216947
Reaxys
(6R,7S)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid
IUPAC
Cefoxitin
ChemIDplus
(6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
CFX
KEGG_DRUG
Cephoxitin
ChemIDplus
Rephoxitin
ChemIDplus
cefoxitin
KEGG_DRUG
cefoxitina
ChemIDplus
cefoxitine
ChemIDplus
cefoxitinum
ChemIDplus
ceftoxitin
ChemIDplus
N-acylglucosamine
chebi_ontology
N-acylglucosamines
CHEBI:21638
N-acylglucosamine
N-acylglucosamine
ChEBI
N-acylglucosamines
ChEBI
N-acyl-hexosamine
chebi_ontology
N-acyl-hexosamines
CHEBI:21656
N-acyl-hexosamine
N-acyl-hexosamine
ChEBI
N-acyl-hexosamines
ChEBI
A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond.
glycosylamine
chebi_ontology
N-glycoside
N-glycosides
N-glycosyl compounds
glycosylamines
CHEBI:21731
N-glycosyl compound
glycosylamine
IUPAC
N-glycoside
ChEBI
N-glycosides
ChEBI
N-glycosyl compounds
ChEBI
glycosylamines
IUPAC
A substance used to destroy pests of the subclass Acari (mites and ticks).
Wikipedia:Acaricide
chebi_ontology
Akarizid
Akarizide
acaricides
miticide
CHEBI:22153
acaricide
Akarizid
ChEBI
Akarizide
ChEBI
acaricides
ChEBI
miticide
ChEBI
Compounds with the general formula RNHC(=O)CH3.
chebi_ontology
CHEBI:22160
acetamides
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
alpha-D-glucoside
chebi_ontology
alpha-D-glucosides
an alpha-D-glucoside
CHEBI:22390
alpha-D-glucoside
alpha-D-glucoside
ChEBI
alpha-D-glucosides
ChEBI
an alpha-D-glucoside
UniProt
An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group.
chebi_ontology
amino alcohols
aminoalcohol
aminoalcohols
CHEBI:22478
amino alcohol
amino alcohols
ChEBI
aminoalcohol
ChEBI
aminoalcohols
ChEBI
amino cyclitol glycoside
chebi_ontology
amino cyclitol glycosides
CHEBI:22479
amino cyclitol glycoside
amino cyclitol glycoside
ChEBI
amino cyclitol glycosides
ChEBI
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
chebi_ontology
aminoglycans
CHEBI:22506
aminoglycan
aminoglycans
ChEBI
chebi_ontology
aminoglycoside antibiotics
CHEBI:22507
aminoglycoside antibiotic
aminoglycoside antibiotics
ChEBI
Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives.
chebi_ontology
CHEBI:22562
anilines
A monoatomic or polyatomic species having one or more elementary charges of the electron.
Anion
anion
chebi_ontology
Anionen
aniones
anions
CHEBI:22563
anion
Anion
ChEBI
anion
ChEBI
anion
IUPAC
Anionen
ChEBI
aniones
ChEBI
anions
IUPAC
A class of macrocyclic lactams that consist of an aromatic (phenyl or naphthyl) or quinonoid (benzoquinone or naphthoquinone) moiety that is bridged by an aliphatic chain.
Wikipedia:Ansamycin
chebi_ontology
CHEBI:22565
ansamycin
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
chebi_ontology
antioxidants
antioxydant
antoxidant
CHEBI:22586
antioxidant
antioxidants
ChEBI
antioxydant
ChEBI
antoxidant
ChEBI
A substance that destroys or inhibits replication of viruses.
chebi_ontology
anti-viral agent
anti-viral agents
antiviral
antiviral agents
antivirals
CHEBI:22587
antiviral agent
anti-viral agent
ChEBI
anti-viral agents
ChEBI
antiviral
ChEBI
antiviral agents
ChEBI
antivirals
ChEBI
arabinoside
chebi_ontology
arabinosides
CHEBI:22601
arabinoside
arabinoside
ChEBI
arabinosides
ChEBI
A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system.
chebi_ontology
arenecarboxamides
CHEBI:22645
arenecarboxamide
arenecarboxamides
ChEBI
A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base).
KEGG:C00701
Base
base
chebi_ontology
Base1
Base2
Basen
Nucleobase
bases
CHEBI:22695
base
Base
ChEBI
base
ChEBI
base
IUPAC
Base1
KEGG_COMPOUND
Base2
KEGG_COMPOUND
Basen
ChEBI
Nucleobase
KEGG_COMPOUND
bases
ChEBI
chebi_ontology
CHEBI:22702
benzamides
Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
chebi_ontology
CHEBI:22712
benzenes
chebi_ontology
arenesulfonates
CHEBI:22713
arenesulfonate oxoanion
arenesulfonates
ChEBI
An organic heterocyclic compound containing a benzene ring fused to an imidazole ring.
chebi_ontology
CHEBI:22715
benzimidazoles
A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid.
chebi_ontology
benzoate anion
CHEBI:22718
benzoates
benzoate anion
ChEBI
Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
chebi_ontology
CHEBI:22723
benzoic acids
Wikipedia:Benzopyran
chebi_ontology
benzopyrans
CHEBI:22727
benzopyran
benzopyrans
ChEBI
chebi_ontology
benzopyrroles
CHEBI:22728
benzopyrrole
benzopyrroles
ChEBI
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
chebi_ontology
NMR chemical shift reference compounds
NMR chemical shift standard
NMR chemical shift standards
NMR internal standard
NMR internal standards
NMR reference standard
NMR reference standards
CHEBI:228364
NMR chemical shift reference compound
NMR chemical shift reference compounds
ChEBI
NMR chemical shift standard
ChEBI
NMR chemical shift standards
ChEBI
NMR internal standard
ChEBI
NMR internal standards
ChEBI
NMR reference standard
ChEBI
NMR reference standards
ChEBI
Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond.
chebi_ontology
CHEBI:22888
biphenyls
A glycopeptide produced by the bacterium Streptomyces verticillus. The term, 'bleomycin' refers to a family of structurally related compounds. When used as an anti-cancer agent, the chemotherapeutical forms are primarily bleomycin A2 and B2.
CHEBI:584977
DrugBank:DB00290
Wikipedia:Bleomycin
chebi_ontology
CHEBI:22907
bleomycin
An insecticide compound naturally occurring in plants.
chebi_ontology
botanical insecticide
botanical insecticides
phytogenic insecticides
CHEBI:22917
phytogenic insecticide
botanical insecticide
ChEBI
botanical insecticides
ChEBI
phytogenic insecticides
ChEBI
A diol that is a butanediol or a derivative of a butanediol.
chebi_ontology
CHEBI:22944
butanediols
A monocarboxylic acid anion that is the conjugate base of sulbactam resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
-1
C8H10NO5S
InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1/t5-,6+/m1/s1
FKENQMMABCRJMK-RITPCOANSA-M
232.230
232.02852
[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)C(C)(C)S2(=O)=O
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide
chebi_ontology
sulbactam anion
CHEBI:229543
sulbactam(1-)
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide
IUPAC
sulbactam anion
ChEBI
chebi_ontology
calcium ionophores
CHEBI:22986
calcium ionophore
calcium ionophores
ChEBI
Any ester of carbamic acid or its N-substituted derivatives.
Wikipedia:Carbamate
chebi_ontology
carbamate esters
carbamates
CHEBI:23003
carbamate ester
carbamate esters
ChEBI
carbamates
ChEBI
The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.
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
Any carbohydrate derivative that exhibits antibiotic activity.
chebi_ontology
CHEBI:23007
carbohydrate-containing antibiotic
An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule.
Wikipedia:Carbonic_anhydrase_inhibitor
chebi_ontology
EC 4.2.1.1 (carbonic anhydrase) inhibitors
EC 4.2.1.1 inhibitor
EC 4.2.1.1 inhibitors
anhydrase inhibitor
anhydrase inhibitors
carbonate anhydrase inhibitor
carbonate anhydrase inhibitors
carbonate dehydratase inhibitor
carbonate dehydratase inhibitors
carbonate hydro-lyase (carbon-dioxide-forming) inhibitor
carbonate hydro-lyase (carbon-dioxide-forming) inhibitors
carbonate hydro-lyase inhibitor
carbonate hydro-lyase inhibitors
carbonic acid anhydrase inhibitor
carbonic acid anhydrase inhibitors
carbonic anhydrase (EC 4.2.1.1) inhibitor
carbonic anhydrase (EC 4.2.1.1) inhibitors
carbonic anhydrase A inhibitor
carbonic anhydrase A inhibitors
carbonic anhydrase inhibitor
carbonic anhydrase inhibitors
carboxyanhydrase inhibitor
carboxyanhydrase inhibitors
CHEBI:23018
EC 4.2.1.1 (carbonic anhydrase) inhibitor
EC 4.2.1.1 (carbonic anhydrase) inhibitors
ChEBI
EC 4.2.1.1 inhibitor
ChEBI
EC 4.2.1.1 inhibitors
ChEBI
anhydrase inhibitor
ChEBI
anhydrase inhibitors
ChEBI
carbonate anhydrase inhibitor
ChEBI
carbonate anhydrase inhibitors
ChEBI
carbonate dehydratase inhibitor
ChEBI
carbonate dehydratase inhibitors
ChEBI
carbonate hydro-lyase (carbon-dioxide-forming) inhibitor
ChEBI
carbonate hydro-lyase (carbon-dioxide-forming) inhibitors
ChEBI
carbonate hydro-lyase inhibitor
ChEBI
carbonate hydro-lyase inhibitors
ChEBI
carbonic acid anhydrase inhibitor
ChEBI
carbonic acid anhydrase inhibitors
ChEBI
carbonic anhydrase (EC 4.2.1.1) inhibitor
ChEBI
carbonic anhydrase (EC 4.2.1.1) inhibitors
ChEBI
carbonic anhydrase A inhibitor
ChEBI
carbonic anhydrase A inhibitors
ChEBI
carbonic anhydrase inhibitor
ChEBI
carbonic anhydrase inhibitors
ChEBI
carboxyanhydrase inhibitor
ChEBI
carboxyanhydrase inhibitors
ChEBI
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 EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of 1,3-beta-glucan synthase (EC 2.4.1.34).
Wikipedia:1,3-Beta-glucan_synthase
chebi_ontology
(1,3)-beta-glucan (callose) synthase inhibitor
(1,3)-beta-glucan (callose) synthase inhibitors
1,3-beta-D-glucan synthase inhibitor
1,3-beta-D-glucan synthase inhibitors
1,3-beta-D-glucan synthetase inhibitor
1,3-beta-D-glucan synthetase inhibitors
1,3-beta-D-glucan--UDP glucosyltransferase inhibitor
1,3-beta-D-glucan--UDP glucosyltransferase inhibitors
1,3-beta-D-glucan-UDP glucosyltransferase inhibitor
1,3-beta-D-glucan-UDP glucosyltransferase inhibitors
1,3-beta-glucan synthase inhibitor
1,3-beta-glucan synthase inhibitors
1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitor
1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitors
EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitors
EC 2.4.1.34 inhibitor
EC 2.4.1.34 inhibitors
GS-II inhibitor
GS-II inhibitors
UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitor
UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitors
UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitor
UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitors
UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitor
UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitors
UDP-glucose-beta-glucan glucosyltransferase inhibitor
UDP-glucose-beta-glucan glucosyltransferase inhibitors
UDP-glucose:(1,3)beta-glucan synthase inhibitor
UDP-glucose:(1,3)beta-glucan synthase inhibitors
UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitor
UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitors
beta-1,3-glucan synthase inhibitor
beta-1,3-glucan synthase inhibitors
beta-1,3-glucan synthetase inhibitor
beta-1,3-glucan synthetase inhibitors
callose synthase inhibitor
callose synthase inhibitors
callose synthetase inhibitor
callose synthetase inhibitors
paramylon synthetase inhibitor
paramylon synthetase inhibitors
uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitor
uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitors
CHEBI:230471
EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitor
(1,3)-beta-glucan (callose) synthase inhibitor
ChEBI
(1,3)-beta-glucan (callose) synthase inhibitors
ChEBI
1,3-beta-D-glucan synthase inhibitor
ChEBI
1,3-beta-D-glucan synthase inhibitors
ChEBI
1,3-beta-D-glucan synthetase inhibitor
ChEBI
1,3-beta-D-glucan synthetase inhibitors
ChEBI
1,3-beta-D-glucan--UDP glucosyltransferase inhibitor
ChEBI
1,3-beta-D-glucan--UDP glucosyltransferase inhibitors
ChEBI
1,3-beta-D-glucan-UDP glucosyltransferase inhibitor
ChEBI
1,3-beta-D-glucan-UDP glucosyltransferase inhibitors
ChEBI
1,3-beta-glucan synthase inhibitor
ChEBI
1,3-beta-glucan synthase inhibitors
ChEBI
1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitor
ChEBI
1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitors
ChEBI
EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitors
ChEBI
EC 2.4.1.34 inhibitor
ChEBI
EC 2.4.1.34 inhibitors
ChEBI
GS-II inhibitor
ChEBI
GS-II inhibitors
ChEBI
UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitor
ChEBI
UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitors
ChEBI
UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitor
ChEBI
UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitors
ChEBI
UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitor
ChEBI
UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitors
ChEBI
UDP-glucose-beta-glucan glucosyltransferase inhibitor
ChEBI
UDP-glucose-beta-glucan glucosyltransferase inhibitors
ChEBI
UDP-glucose:(1,3)beta-glucan synthase inhibitor
ChEBI
UDP-glucose:(1,3)beta-glucan synthase inhibitors
ChEBI
UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitor
ChEBI
UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitors
ChEBI
beta-1,3-glucan synthase inhibitor
ChEBI
beta-1,3-glucan synthase inhibitors
ChEBI
beta-1,3-glucan synthetase inhibitor
ChEBI
beta-1,3-glucan synthetase inhibitors
ChEBI
callose synthase inhibitor
ChEBI
callose synthase inhibitors
ChEBI
callose synthetase inhibitor
ChEBI
callose synthetase inhibitors
ChEBI
paramylon synthetase inhibitor
ChEBI
paramylon synthetase inhibitors
ChEBI
uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitor
ChEBI
uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitors
ChEBI
A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy.
0
C7H5NO3SR2
183.18500
182.99901
[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O
CHEBI:3538
KEGG:C00875
PMID:10069359
PMID:11936371
PMID:12833570
PMID:24269048
PMID:3320614
PMID:6762896
PMID:8426246
Wikipedia:Cephalosporin
Cephalosporin
chebi_ontology
cephalosphorin
cephalosphorins
cephalosporins
CHEBI:23066
cephalosporin
PMID:10069359
Europe PMC
PMID:11936371
Europe PMC
PMID:12833570
Europe PMC
PMID:24269048
Europe PMC
PMID:3320614
Europe PMC
PMID:6762896
Europe PMC
PMID:8426246
Europe PMC
Cephalosporin
KEGG_COMPOUND
cephalosphorin
ChEBI
cephalosphorins
ChEBI
cephalosporins
ChEBI
chebi_ontology
CHEBI:23089
chelate-forming peptide
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 organochlorine compound containing a benzene ring which is substituted by one or more chlorines.
chebi_ontology
CHEBI:23132
chlorobenzenes
A tertiary ammonium ion resulting from the protonation of the two amino groups of azithromycin; major species at pH 7.3.
+2
C38H74N2O12
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
MQTOSJVFKKJCRP-BICOPXKESA-P
751.011
750.52308
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C[NH+](C)[C@H](C)[C@@H](O)[C@]1(C)O
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
chebi_ontology
azithromycin dication
CHEBI:231550
azithromycin(2+)
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
IUPAC
azithromycin dication
ChEBI
An oxo monocarboxylic acid anion that is the conjugate base of levofloxacin resulting from the deprotonation of the carboxy group; major species at pH 7.3.
-1
C18H19FN3O4
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p-1/t10-/m0/s1
GSDSWSVVBLHKDQ-JTQLQIEISA-M
360.366
360.13651
C[C@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C([O-])=O)C3=O
(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
chebi_ontology
levofloxacin anion
CHEBI:231553
levofloxacin(1-)
(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
IUPAC
levofloxacin anion
ChEBI
CHEBI:3666
chebi_ontology
choline esters
CHEBI:23213
choline ester
choline esters
ChEBI
A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof.
chebi_ontology
CHEBI:23217
cholines
chebi_ontology
CHEBI:23232
chromenes
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
chebi_ontology
CHEBI:23366
compatible osmolytes
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
chebi_ontology
CHEBI:23403
coumarins
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
Salts and C-organyl derivatives of hydrogen cyanide, HC#N.
cyanides
chebi_ontology
CHEBI:23424
cyanides
cyanides
IUPAC
CHEBI:3990
cyclic amide
chebi_ontology
cyclic amides
CHEBI:23443
cyclic amide
cyclic amide
ChEBI
cyclic amides
ChEBI
chebi_ontology
cyclic nucleotides
CHEBI:23447
cyclic nucleotide
cyclic nucleotides
ChEBI
chebi_ontology
Cyclopeptid
Zyklopeptid
cyclic peptides
peptide cyclique
peptido ciclico
CHEBI:23449
cyclic peptide
Cyclopeptid
ChEBI
Zyklopeptid
ChEBI
cyclic peptides
ChEBI
peptide cyclique
IUPAC
peptido ciclico
IUPAC
A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom.
cyclitols
chebi_ontology
CHEBI:23451
cyclitol
cyclitols
IUPAC
A member of the class of oxazolidines that is isoxazoldin-3-one which is substituted at position 4 by an amino group.
0
C3H6N2O2
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)
DYDCUQKUCUHJBH-UHFFFAOYSA-N
102.09190
102.04293
NC1CONC1=O
CAS:68-39-3
KEGG:C06682
4-amino-1,2-oxazolidin-3-one
chebi_ontology
cycloserine
CHEBI:23503
4-amino-1,2-oxazolidin-3-one
CAS:68-39-3
KEGG COMPOUND
4-amino-1,2-oxazolidin-3-one
IUPAC
cycloserine
ChEBI
chebi_ontology
deoxyribonucleosides
CHEBI:23636
deoxyribonucleoside
deoxyribonucleosides
ChEBI
A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating.
depsipeptides
chebi_ontology
Depsipeptid
CHEBI:23643
depsipeptide
depsipeptides
IUPAC
Depsipeptid
ChEBI
Any polyamine that contains two amino groups.
diamines
chebi_ontology
CHEBI:23666
diamine
diamines
IUPAC
An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring.
chebi_ontology
diazoles
CHEBI:23677
diazole
diazoles
ChEBI
Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.
dichlorobenzene
chebi_ontology
Dichlorbenzol
dichlorobenzenes
CHEBI:23697
dichlorobenzene
dichlorobenzene
ChEBI
dichlorobenzene
IUPAC
Dichlorbenzol
ChEBI
dichlorobenzenes
ChEBI
Any organic heteromonocyclic compound with a structure based on a dihydropyrrole.
Wikipedia:Pyrroline
pyrroline
chebi_ontology
dihydropyrrole
pyrrolines
CHEBI:23763
pyrroline
pyrroline
ChemIDplus
dihydropyrrole
ChemIDplus
pyrrolines
ChEBI
chebi_ontology
quinolones
CHEBI:23765
quinolone
quinolones
ChEBI
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 terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
LIPID_MAPS_class:LMPR0104
diterpenoids
chebi_ontology
C20 isoprenoids
diterpenoides
CHEBI:23849
diterpenoid
LIPID_MAPS_class:LMPR0104
LIPID MAPS
diterpenoids
IUPAC
C20 isoprenoids
LIPID_MAPS
diterpenoides
ChEBI
chebi_ontology
dithiols
CHEBI:23853
dithiol
dithiols
ChEBI
0
C12H25
169.32690
169.19563
CCCCCCCCCCCC*
dodecyl
chebi_ontology
CH3-[CH2]11-
Dod
dodecan-1-yl
lauryl
CHEBI:23870
dodecyl group
dodecyl
IUPAC
CH3-[CH2]11-
IUPAC
Dod
CBN
dodecan-1-yl
ChEBI
lauryl
ChEBI
-1
C12H25O4S
InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1
MOTZDAYCYVMXPC-UHFFFAOYSA-M
265.39050
265.14790
CCCCCCCCCCCCOS([O-])(=O)=O
Beilstein:1820003
DrugBank:DB03967
Gmelin:336103
UM-BBD_compID:c0563
dodecyl sulfate
chebi_ontology
CHEBI:23872
dodecyl sulfate
Beilstein:1820003
Beilstein
Gmelin:336103
Gmelin
UM-BBD_compID:c0563
UM-BBD
dodecyl sulfate
IUPAC
dodecyl sulfate
UniProt
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
enzyme inhibitor
enzyme inhibitor
IUPAC
enzyme inhibitors
ChEBI
inhibidor enzimatico
ChEBI
inhibidores enzimaticos
ChEBI
inhibiteur enzymatique
ChEBI
inhibiteurs enzymatiques
ChEBI
chebi_ontology
CHEBI:23953
erythromycins
chebi_ontology
CHEBI:23955
erythronolide
chebi_ontology
ethanolamine
CHEBI:23981
ethanolamines
ethanolamine
ChEBI
0
F
InChI=1S/F
YCKRFDGAMUMZLT-UHFFFAOYSA-N
18.99840
18.99840
[F]
CAS:7782-41-4
WebElements:F
fluorine
chebi_ontology
9F
F
Fluor
fluor
fluorine
fluorum
CHEBI:24061
fluorine atom
CAS:7782-41-4
ChemIDplus
fluorine
IUPAC
9F
IUPAC
F
IUPAC
Fluor
ChemIDplus
fluor
ChEBI
fluorine
ChEBI
fluorum
ChEBI
fluorine molecular entity
chebi_ontology
fluorine compounds
fluorine molecular entities
CHEBI:24062
fluorine molecular entity
fluorine molecular entity
ChEBI
fluorine compounds
ChEBI
fluorine molecular entities
ChEBI
An organofluorine compound that consists of an amino acid substituted by a fluoro group.
chebi_ontology
fluoroamino acids
CHEBI:24068
fluoroamino acid
fluoroamino acids
ChEBI
Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H).
chebi_ontology
CHEBI:24079
formamides
A substance used to destroy fungal pests.
chebi_ontology
fungicides
CHEBI:24127
fungicide
fungicides
ChEBI
Compounds containing at least one furan ring.
chebi_ontology
oxacyclopenta-2,4-dienes
CHEBI:24129
furans
oxacyclopenta-2,4-dienes
ChEBI
Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group.
chebi_ontology
CHEBI:24271
glucosamines
chebi_ontology
glucosides
CHEBI:24278
glucoside
glucosides
ChEBI
An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class.
PMID:20716061
chebi_ontology
glutamine family amino acids
CHEBI:24318
glutamine family amino acid
PMID:20716061
Europe PMC
glutamine family amino acids
ChEBI
Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide.
CHEBI:24395
CHEBI:5478
glycopeptides
chebi_ontology
CHEBI:24396
glycopeptide
glycopeptides
IUPAC
A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively.
glycosides
chebi_ontology
O-glycoside
O-glycosides
glycosides
CHEBI:24400
glycoside
glycosides
IUPAC
O-glycoside
ChEBI
O-glycosides
ChEBI
glycosides
ChEBI
A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.
chemical entity
chebi_ontology
CHEBI:24431
chemical entity
chemical entity
UniProt
A role played by the molecular entity or part thereof within a biological context.
chebi_ontology
biological function
CHEBI:24432
biological role
biological function
ChEBI
A defined linked collection of atoms or a single atom within a molecular entity.
group
chebi_ontology
Gruppe
Rest
groupe
grupo
grupos
CHEBI:24433
group
group
IUPAC
Gruppe
ChEBI
Rest
ChEBI
groupe
IUPAC
grupo
IUPAC
grupos
IUPAC
Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas.
chebi_ontology
CHEBI:24436
guanidines
Any non-proteinogenic amino acid carrying at least one halo group.
chebi_ontology
haloamino acids
CHEBI:24470
haloamino acid
haloamino acids
ChEBI
halogen molecular entity
chebi_ontology
halogen compounds
halogen molecular entities
CHEBI:24471
halogen molecular entity
halogen molecular entity
ChEBI
halogen compounds
ChEBI
halogen molecular entities
ChEBI
halogen
halogens
chebi_ontology
Halogene
group 17 elements
group VII elements
halogene
halogenes
halogeno
halogenos
CHEBI:24473
halogen
halogen
IUPAC
halogens
IUPAC
Halogene
ChEBI
group 17 elements
ChEBI
group VII elements
ChEBI
halogene
ChEBI
halogenes
ChEBI
halogeno
ChEBI
halogenos
ChEBI
chebi_ontology
CHEBI:24531
heterocyclic antibiotic
A cyclic compound having as ring members atoms of carbon and at least of one other element.
chebi_ontology
organic heterocycle
organic heterocyclic compounds
CHEBI:24532
organic heterocyclic compound
organic heterocycle
ChEBI
organic heterocyclic compounds
ChEBI
A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond.
heterodetic cyclic peptide
chebi_ontology
heterodetic cyclic peptides
peptide cyclique heterodetique
peptido ciclico heterodetico
CHEBI:24533
heterodetic cyclic peptide
heterodetic cyclic peptide
IUPAC
heterodetic cyclic peptides
ChEBI
peptide cyclique heterodetique
IUPAC
peptido ciclico heterodetico
IUPAC
hexitol
chebi_ontology
hexitols
CHEBI:24583
hexitol
hexitol
ChEBI
hexitols
ChEBI
Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group.
hexosamine
chebi_ontology
hexosamines
CHEBI:24586
hexosamine
hexosamine
ChEBI
hexosamines
ChEBI
A homodetic cyclic peptide is a cyclic peptide in which the ring consists solely of amino-acid residues in peptide linkages.
homodetic cyclic peptide
chebi_ontology
homodetic cyclic peptides
peptide cyclique homodetique
peptido ciclico homodetico
CHEBI:24613
homodetic cyclic peptide
homodetic cyclic peptide
IUPAC
homodetic cyclic peptides
ChEBI
peptide cyclique homodetique
IUPAC
peptido ciclico homodetico
IUPAC
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
chebi_ontology
endocrine
hormones
CHEBI:24621
hormone
endocrine
ChEBI
hormones
ChEBI
An imidazolidinone with oxo groups at position 2 and 4.
chebi_ontology
CHEBI:24628
imidazolidine-2,4-dione
A compound consisting of carbon and hydrogen only.
hydrocarbon
hydrocarbons
chebi_ontology
Kohlenwasserstoff
Kohlenwasserstoffe
hidrocarburo
hidrocarburos
hydrocarbure
CHEBI:24632
hydrocarbon
hydrocarbon
IUPAC
hydrocarbons
IUPAC
Kohlenwasserstoff
ChEBI
Kohlenwasserstoffe
ChEBI
hidrocarburo
IUPAC
hidrocarburos
IUPAC
hydrocarbure
IUPAC
An oxoanion resulting from the removal of a proton from the hydroxy group of any hydroxamic acid.
chebi_ontology
hydroxamate
hydroxamates
hydroxamic acid anions
hydroxamic anion
hydroxamic anions
CHEBI:24648
hydroxamic acid anion
hydroxamate
ChEBI
hydroxamates
ChEBI
hydroxamic acid anions
ChEBI
hydroxamic anion
ChEBI
hydroxamic anions
ChEBI
A compound, RkE(=O)lNHOH, derived from an oxoacid RkE(=O)l(OH) (l =/= 0) by replacing -OH with -NHOH, and derivatives thereof. Specific examples of hydroxamic acids are preferably named as N-hydroxy amides.
hydroxamic acids
chebi_ontology
N-hydroxy amide
N-hydroxy amides
N-hydroxy-amide
N-hydroxy-amides
N-hydroxyamide
N-hydroxyamides
hydroxamic acids
CHEBI:24650
hydroxamic acid
hydroxamic acids
IUPAC
N-hydroxy amide
ChEBI
N-hydroxy amides
ChEBI
N-hydroxy-amide
ChEBI
N-hydroxy-amides
ChEBI
N-hydroxyamide
ChEBI
N-hydroxyamides
ChEBI
hydroxamic acids
ChEBI
Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)).
chebi_ontology
CHEBI:24651
hydroxides
Any fatty acid carrying one or more hydroxy substituents.
LIPID_MAPS_class:LMFA0105
PMID:18296335
PMID:6419288
PMID:8274032
chebi_ontology
hydroxy fatty acids
CHEBI:24654
hydroxy fatty acid
LIPID_MAPS_class:LMFA0105
LIPID MAPS
PMID:18296335
Europe PMC
PMID:6419288
Europe PMC
PMID:8274032
Europe PMC
hydroxy fatty acids
LIPID_MAPS
Any carboxylic acid with at least one hydroxy group.
chebi_ontology
hydroxy carboxylic acids
hydroxycarboxylic acid
hydroxycarboxylic acids
CHEBI:24669
hydroxy carboxylic acid
hydroxy carboxylic acids
ChEBI
hydroxycarboxylic acid
ChEBI
hydroxycarboxylic acids
ChEBI
Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.
chebi_ontology
hydroxybenzoates
CHEBI:24675
hydroxybenzoate
hydroxybenzoates
ChEBI
Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring.
0
C7H6O3
138.121
138.03169
CHEBI:50778
hydroxybenzoic acid
chebi_ontology
hydroxybenzoic acids
CHEBI:24676
hydroxybenzoic acid
hydroxybenzoic acid
IUPAC
hydroxybenzoic acids
ChEBI
An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups.
0
C2H2O2R2
58.036
58.00548
C(C(=O)*)(O)([H])*
Wikipedia:Acyloin
chebi_ontology
acyloin
acyloins
secondary alpha-hydroxy ketones
secondary alpha-hydroxy-ketone
secondary alpha-hydroxy-ketones
secondary alpha-hydroxyketone
secondary alpha-hydroxyketones
CHEBI:2468
secondary alpha-hydroxy ketone
acyloin
ChEBI
acyloins
ChEBI
secondary alpha-hydroxy ketones
ChEBI
secondary alpha-hydroxy-ketone
ChEBI
secondary alpha-hydroxy-ketones
ChEBI
secondary alpha-hydroxyketone
ChEBI
secondary alpha-hydroxyketones
ChEBI
0
CH3O
31.03392
31.01839
C(*)O
hydroxymethyl
chebi_ontology
-CH2-OH
serine side-chain
CHEBI:24712
hydroxymethyl group
hydroxymethyl
IUPAC
-CH2-OH
IUPAC
serine side-chain
ChEBI
chebi_ontology
hygromycins
CHEBI:24753
hygromycin
hygromycins
ChEBI
A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
chebi_ontology
CHEBI:24780
imidazoles
imide
chebi_ontology
imides
CHEBI:24782
imide
imide
ChEBI
imides
ChEBI
chebi_ontology
indole phytoalexins
CHEBI:24797
indole phytoalexin
indole phytoalexins
ChEBI
Any compound containing an indole skeleton.
chebi_ontology
CHEBI:24828
indoles
A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).
oxoacid
oxoacids
chebi_ontology
oxacids
oxiacids
oxo acid
oxy-acids
oxyacids
CHEBI:24833
oxoacid
oxoacid
IUPAC
oxoacids
IUPAC
oxacids
ChEBI
oxiacids
ChEBI
oxo acid
ChEBI
oxy-acids
ChEBI
oxyacids
ChEBI
chebi_ontology
inorganic anions
CHEBI:24834
inorganic anion
inorganic anions
ChEBI
A molecular entity that contains no carbon.
chebi_ontology
anorganische Verbindungen
inorganic compounds
inorganic entity
inorganic molecular entities
inorganics
CHEBI:24835
inorganic molecular entity
anorganische Verbindungen
ChEBI
inorganic compounds
ChEBI
inorganic entity
ChEBI
inorganic molecular entities
ChEBI
inorganics
ChEBI
chebi_ontology
inorganic oxides
CHEBI:24836
inorganic oxide
inorganic oxides
ChEBI
Compounds of structure ROOR' in which R and R' are inorganic groups.
inorganic peroxide
chebi_ontology
inorganic peroxides
CHEBI:24837
inorganic peroxide
inorganic peroxide
ChEBI
inorganic peroxides
ChEBI
chebi_ontology
anorganisches Salz
inorganic salts
CHEBI:24839
inorganic salt
anorganisches Salz
ChEBI
inorganic salts
ChEBI
chebi_ontology
inorganic sulfate salts
inorganic sulfates
CHEBI:24840
inorganic sulfate salt
inorganic sulfate salts
ChEBI
inorganic sulfates
ChEBI
Any cyclohexane-1,2,3,4,5,6-hexol.
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
CDAISMWEOUEBRE-UHFFFAOYSA-N
180.15588
180.06339
OC1C(O)C(O)C(O)C(O)C1O
inositol
inositols
chebi_ontology
1,2,3,4,5,6-cyclohexanehexol
inositols
CHEBI:24848
inositol
inositol
IUBMB
inositols
IUPAC
1,2,3,4,5,6-cyclohexanehexol
ChEBI
inositols
ChEBI
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
Wikipedia:Insecticide
chebi_ontology
insecticides
CHEBI:24852
insecticide
insecticides
ChEBI
Chemical element with atomic number 53.
0
I
InChI=1S/I
ZCYVEMRRCGMTRW-UHFFFAOYSA-N
126.90447
126.90447
[I]
WebElements:I
iodine
chebi_ontology
53I
I
Iod
J
Jod
iode
iodine
iodium
yodo
CHEBI:24859
iodine atom
iodine
IUPAC
53I
IUPAC
I
ChEBI
Iod
ChEBI
J
ChEBI
Jod
ChEBI
iode
ChEBI
iodine
ChEBI
iodium
ChEBI
yodo
ChEBI
iodine molecular entity
chebi_ontology
iodine compounds
iodine molecular entities
CHEBI:24860
iodine molecular entity
iodine molecular entity
ChEBI
iodine compounds
ChEBI
iodine molecular entities
ChEBI
A salt is an assembly of cations and anions.
salt
chebi_ontology
Salz
Salze
ionic compound
ionic compounds
sal
sales
salts
sel
sels
CHEBI:24866
salt
salt
IUPAC
Salz
ChEBI
Salze
ChEBI
ionic compound
ChEBI
ionic compounds
ChEBI
sal
ChEBI
sales
ChEBI
salts
ChEBI
sel
ChEBI
sels
ChEBI
chebi_ontology
monoatomic ions
CHEBI:24867
monoatomic ion
monoatomic ions
ChEBI
chebi_ontology
organic salts
organisches Salz
CHEBI:24868
organic salt
organic salts
ChEBI
organisches Salz
ChEBI
A compound which can carry specific ions through membranes of cells or organelles.
Wikipedia:Ionophore
ionophore
chebi_ontology
ionophores
CHEBI:24869
ionophore
ionophore
IUPAC
ionophores
ChEBI
A molecular entity having a net electric charge.
Ion
ion
chebi_ontology
Ionen
iones
ions
CHEBI:24870
ion
Ion
ChEBI
ion
ChEBI
ion
IUPAC
Ionen
ChEBI
iones
ChEBI
ions
ChEBI
chebi_ontology
CHEBI:24897
isoindoles
Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives.
LIPID_MAPS_class:LMPR01
PMID:12769708
PMID:19219049
isoprenoid
isoprenoids
chebi_ontology
isoprenoids
CHEBI:24913
isoprenoid
LIPID_MAPS_class:LMPR01
LIPID MAPS
PMID:12769708
Europe PMC
PMID:19219049
Europe PMC
isoprenoid
ChEBI
isoprenoids
IUPAC
isoprenoids
ChEBI
chebi_ontology
CHEBI:24951
kanamycins
Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
lactam
lactams
chebi_ontology
Laktam
Laktame
lactams
CHEBI:24995
lactam
lactam
IUPAC
lactams
IUPAC
Laktam
ChEBI
Laktame
ChEBI
lactams
ChEBI
Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
lactone
lactones
chebi_ontology
Lacton
Lakton
Laktone
lactona
lactonas
CHEBI:25000
lactone
lactone
IUPAC
lactones
IUPAC
Lacton
ChEBI
Lakton
ChEBI
Laktone
ChEBI
lactona
IUPAC
lactonas
IUPAC
chebi_ontology
CHEBI:25022
leucomycin
chebi_ontology
CHEBI:25061
lipopeptide antibiotic
A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity.
chebi_ontology
Makrolidantibiotika
macrolide antibiotics
CHEBI:25105
macrolide antibiotic
Makrolidantibiotika
ChEBI
macrolide antibiotics
ChEBI
A macrocyclic lactone with a ring of twelve or more members derived from a polyketide.
Wikipedia:Macrolide
macrolide
macrolides
chebi_ontology
Makrolid
macrolides
CHEBI:25106
macrolide
macrolide
ChEBI
macrolides
IUPAC
Makrolid
ChEBI
macrolides
ChEBI
manganese molecular entity
chebi_ontology
manganese compounds
manganese molecular entities
CHEBI:25154
manganese molecular entity
manganese molecular entity
ChEBI
manganese compounds
ChEBI
manganese molecular entities
ChEBI
A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.
0
C4H10O2S2
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
VHJLVAABSRFDPM-UHFFFAOYSA-N
154.25300
154.01222
OC(CS)C(O)CS
Beilstein:8141671
CAS:7634-42-6
1,4-dimercaptobutane-2,3-diol
1,4-disulfanylbutane-2,3-diol
chebi_ontology
1,4-dimercapto-2,3-butanediol
CHEBI:25189
1,4-dimercaptobutane-2,3-diol
Beilstein:8141671
Beilstein
CAS:7634-42-6
ChemIDplus
1,4-dimercaptobutane-2,3-diol
ChemIDplus
1,4-disulfanylbutane-2,3-diol
IUPAC
1,4-dimercapto-2,3-butanediol
ChemIDplus
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
CHEBI:26619
CHEBI:35220
metabolite
chebi_ontology
metabolites
primary metabolites
secondary metabolites
CHEBI:25212
metabolite
metabolite
IUPAC
metabolites
ChEBI
primary metabolites
ChEBI
secondary metabolites
ChEBI
chebi_ontology
a metal cation
metal cations
CHEBI:25213
metal cation
a metal cation
UniProt
metal cations
ChEBI
Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol.
0
C2H3O2R
59.044
59.01330
COC([*])=O
chebi_ontology
carboxylic acid methyl ester
carboxylic acid methyl esters
CHEBI:25248
methyl ester
carboxylic acid methyl ester
ChEBI
carboxylic acid methyl esters
ChEBI
chebi_ontology
mitochondrial electron transport chain inhibitors
mitochondrial electron-transport chain inhibitor
mitochondrial respiratory chain inhibitors
CHEBI:25355
mitochondrial respiratory-chain inhibitor
mitochondrial electron transport chain inhibitors
ChEBI
mitochondrial electron-transport chain inhibitor
ChEBI
mitochondrial respiratory chain inhibitors
ChEBI
Any polyatomic entity that is an electrically neutral entity consisting of more than one atom.
molecule
chebi_ontology
Molekuel
molecula
molecules
neutral molecular compounds
CHEBI:25367
molecule
molecule
IUPAC
Molekuel
ChEBI
molecula
IUPAC
molecules
IUPAC
neutral molecular compounds
IUPAC
An oxoacid containing a single carboxy group.
chebi_ontology
monocarboxylic acids
CHEBI:25384
monocarboxylic acid
monocarboxylic acids
ChEBI
A hydroxybenzoate carrying a single hydroxy substituent at unspecified position.
chebi_ontology
monohydroxybenzoates
CHEBI:25388
monohydroxybenzoate
monohydroxybenzoates
ChEBI
Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring.
chebi_ontology
monohydroxybenzoic acids
CHEBI:25389
monohydroxybenzoic acid
monohydroxybenzoic acids
ChEBI
+1
0.00000
[*+]
chebi_ontology
monoatomic monocations
monovalent inorganic cations
CHEBI:25414
monoatomic monocation
monoatomic monocations
ChEBI
monovalent inorganic cations
ChEBI
An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
Wikipedia:Mutagen
chebi_ontology
mutagene
mutagenes
mutagenic agent
mutageno
mutagenos
mutagens
CHEBI:25435
mutagen
mutagene
ChEBI
mutagenes
ChEBI
mutagenic agent
ChEBI
mutageno
ChEBI
mutagenos
ChEBI
mutagens
ChEBI
Poisonous substance produced by fungi.
chebi_ontology
fungal toxins
mycotoxins
CHEBI:25442
mycotoxin
fungal toxins
ChEBI
mycotoxins
ChEBI
chebi_ontology
CHEBI:25471
naphthalenemonosulfonate
Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings.
chebi_ontology
CHEBI:25477
naphthalenes
chebi_ontology
CHEBI:25478
naphthalenesulfonate
A polycyclic aromatic ketone metabolite of naphthalene.
chebi_ontology
naphthoquinones
CHEBI:25481
naphthoquinone
naphthoquinones
ChEBI
A substance used to destroy pests of the phylum Nematoda (roundworms).
Wikipedia:Nematicide
chebi_ontology
nematicides
nematocide
nematocides
CHEBI:25491
nematicide
nematicides
ChEBI
nematocide
ChEBI
nematocides
ChEBI
An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
Wikipedia:Neurotransmitter
chebi_ontology
neurotransmitters
CHEBI:25512
neurotransmitter
neurotransmitters
ChEBI
A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group.
chebi_ontology
pyridinecarboxamides
CHEBI:25529
pyridinecarboxamide
pyridinecarboxamides
ChEBI
0
N
14.007
14.00307
WebElements:N
nitrogen
chebi_ontology
7N
N
Stickstoff
azote
nitrogen
nitrogeno
CHEBI:25555
nitrogen atom
nitrogen
IUPAC
7N
IUPAC
N
IUPAC
Stickstoff
ChEBI
azote
IUPAC
nitrogen
ChEBI
nitrogeno
ChEBI
chebi_ontology
organonitrogen heterocyclic antibiotics
CHEBI:25558
organonitrogen heterocyclic antibiotic
organonitrogen heterocyclic antibiotics
ChEBI
nonmetal
chebi_ontology
Nichtmetall
Nichtmetalle
no metal
no metales
non-metal
non-metaux
nonmetal
nonmetals
CHEBI:25585
nonmetal atom
nonmetal
IUPAC
Nichtmetall
ChEBI
Nichtmetalle
ChEBI
no metal
ChEBI
no metales
ChEBI
non-metal
ChEBI
non-metaux
ChEBI
nonmetal
ChEBI
nonmetals
ChEBI
chebi_ontology
CHEBI:25605
nucleoside antibiotic
A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates.
KEGG:C01329
chebi_ontology
NMP
nucleoside phosphates
CHEBI:25608
nucleoside phosphate
NMP
KEGG_COMPOUND
nucleoside phosphates
ChEBI
Any of the 26-membered ring macrolides produced by Streptomyces species that can be toxic to other organisms through their ability to inhibit mitochondrial membrane-bound ATP synthases.
0
C43H64O10R5
740.964
740.44995
[C@@H]1([C@H](CC([C@]2(O1)C([C@@H]3OC(C=C[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C([C@@]([C@@H](O)[C@H](C)CC=CC=C[C@@H](CC[C@@H]([C@H]3C)O2)CC)(*)C)=O)=O)(*)*)=*)C)C[C@H](O)*
Wikipedia:Oligomycin
chebi_ontology
oligomycins
CHEBI:25675
oligomycin
oligomycins
ChEBI
A peptide containing a relatively small number of amino acids.
CHEBI:7755
Wikipedia:Oligopeptide
oligopeptides
chebi_ontology
Oligopeptid
oligopeptido
CHEBI:25676
oligopeptide
oligopeptides
IUPAC
Oligopeptid
ChEBI
oligopeptido
ChEBI
chebi_ontology
organic heteromonocyclic compounds
CHEBI:25693
organic heteromonocyclic compound
organic heteromonocyclic compounds
ChEBI
Any organic ion with a net negative charge.
chebi_ontology
organic anions
CHEBI:25696
organic anion
organic anions
ChEBI
Any organic ion with a net positive charge.
chebi_ontology
organic cations
CHEBI:25697
organic cation
organic cations
ChEBI
An organooxygen compound with formula ROR, where R is not hydrogen.
0
OR2
15.99940
15.99491
[*]O[*]
ether
ethers
chebi_ontology
ethers
CHEBI:25698
ether
ether
IUPAC
ethers
IUPAC
ethers
ChEBI
chebi_ontology
organic ions
CHEBI:25699
organic ion
organic ions
ChEBI
Wikipedia:Organophosphate
organic phosphate
chebi_ontology
organic phosphate ester
organic phosphate esters
organic phosphates
organophosphate ester
organophosphate esters
CHEBI:25703
organic phosphate
organic phosphate
ChEBI
organic phosphate ester
ChEBI
organic phosphate esters
ChEBI
organic phosphates
ChEBI
organophosphate ester
ChEBI
organophosphate esters
ChEBI
Compounds of the general formula SO3HOR where R is an organyl group
chebi_ontology
organic sulfates
CHEBI:25704
organic sulfate
organic sulfates
ChEBI
An alcohol derived from an aliphatic compound.
0
HOR
17.007
17.00274
O*
KEGG:C02525
Aliphatic alcohol
chebi_ontology
aliphatic alcohols
an aliphatic alcohol
CHEBI:2571
aliphatic alcohol
Aliphatic alcohol
KEGG_COMPOUND
aliphatic alcohols
ChEBI
an aliphatic alcohol
UniProt
An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters.
Wikipedia:Organophosphorus_compound
organophosphorus compound
chebi_ontology
organophosphorus compounds
CHEBI:25710
organophosphorus compound
organophosphorus compound
ChEBI
organophosphorus compounds
ChEBI
A solute used by a cell under water stress to maintain cell volume.
chebi_ontology
osmolytes
CHEBI:25728
osmolyte
osmolytes
ChEBI
An oxide is a chemical compound of oxygen with other chemical elements.
oxide
chebi_ontology
oxides
CHEBI:25741
oxide
oxide
ChEBI
oxides
ChEBI
Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.
0
CHNOR2
43.02470
43.00581
O\N=C(\[*])[*]
oxime
oximes
chebi_ontology
oximes
CHEBI:25750
oxime
oxime
IUPAC
oximes
IUPAC
oximes
ChEBI
Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule.
oxo carboxylic acids
chebi_ontology
oxo acids
oxo carboxylic acids
CHEBI:25754
oxo carboxylic acid
oxo carboxylic acids
IUPAC
oxo acids
IUPAC
oxo carboxylic acids
ChEBI
Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety.
chebi_ontology
CHEBI:2580
unsaturated fatty acid anion
0
O
InChI=1S/O
QVGXLLKOCUKJST-UHFFFAOYSA-N
15.99940
15.99491
[O]
KEGG:C00007
WebElements:O
oxygen
chebi_ontology
8O
O
Sauerstoff
oxigeno
oxygen
oxygene
CHEBI:25805
oxygen atom
oxygen
IUPAC
8O
IUPAC
O
IUPAC
Sauerstoff
ChEBI
oxigeno
ChEBI
oxygen
ChEBI
oxygene
ChEBI
oxygen molecular entity
chebi_ontology
oxygen molecular entities
CHEBI:25806
oxygen molecular entity
oxygen molecular entity
ChEBI
oxygen molecular entities
ChEBI
chebi_ontology
CHEBI:25807
organooxygen heterocyclic antibiotic
A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring.
chebi_ontology
p-quinone
para-quinones
CHEBI:25830
p-quinones
p-quinone
ChEBI
para-quinones
ChEBI
chebi_ontology
CHEBI:25865
penicillanic acids
aldopentose phosphate
chebi_ontology
aldopentose phosphates
CHEBI:25900
aldopentose phosphate
aldopentose phosphate
ChEBI
aldopentose phosphates
ChEBI
A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose).
pentose
chebi_ontology
pentoses
CHEBI:25901
pentose
pentose
ChEBI
pentoses
ChEBI
A chemically diverse class of peptides that exhibit antimicrobial properties.
MetaCyc:Peptide-Antibiotics
PMID:33398258
chebi_ontology
peptide antibiotics
CHEBI:25903
peptide antibiotic
PMID:33398258
Europe PMC
peptide antibiotics
ChEBI
Compounds of structure ROOR'.
0
O2R2
31.999
31.98983
[*]OO[*]
chebi_ontology
a peroxide
CHEBI:25940
peroxides
a peroxide
UniProt
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
Wikipedia:Pesticide
pesticide
chebi_ontology
Pestizid
Pestizide
pesticides
CHEBI:25944
pesticide
pesticide
IUPAC
Pestizid
ChEBI
Pestizide
ChEBI
pesticides
ChEBI
Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin.
Wikipedia:Phenylpropanoid
chebi_ontology
phenylpropanoids
CHEBI:26004
phenylpropanoid
phenylpropanoids
ChEBI
Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom.
phosphates
chebi_ontology
phosphates
CHEBI:26020
phosphate
phosphates
IUPAC
phosphates
ChEBI
chebi_ontology
CHEBI:26045
phosphite ion
HP(=O)(OH)2 (phosphonic acid) and its P-substituted derivatives.
phosphonic acids
chebi_ontology
CHEBI:26069
phosphonic acids
phosphonic acids
IUPAC
A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.
0
H3O4P
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
NBIIXXVUZAFLBC-UHFFFAOYSA-N
97.99520
97.97690
[H]OP(=O)(O[H])O[H]
Beilstein:1921286
CAS:7664-38-2
Drug_Central:4478
Gmelin:2000
HMDB:HMDB0002142
KEGG:C00009
KEGG:D05467
KNApSAcK:C00007408
PMID:11455380
PMID:15630224
PMID:17439666
PMID:17518491
PMID:22282755
PMID:22333268
PMID:22381614
PMID:22401268
Reaxys:1921286
Wikipedia:Phosphoric_Acid
Phosphoric acid
phosphoric acid
tetraoxophosphoric acid
trihydrogen tetraoxophosphate(3-)
trihydroxidooxidophosphorus
chebi_ontology
H3PO4
Orthophosphoric acid
Phosphate
Phosphorsaeure
Phosphorsaeureloesungen
[PO(OH)3]
acide phosphorique
acidum phosphoricum
orthophosphoric acid
CHEBI:26078
phosphoric acid
Beilstein:1921286
Beilstein
CAS:7664-38-2
ChemIDplus
CAS:7664-38-2
KEGG COMPOUND
CAS:7664-38-2
NIST Chemistry WebBook
Drug_Central:4478
DrugCentral
Gmelin:2000
Gmelin
PMID:11455380
Europe PMC
PMID:15630224
Europe PMC
PMID:17439666
Europe PMC
PMID:17518491
Europe PMC
PMID:22282755
Europe PMC
PMID:22333268
Europe PMC
PMID:22381614
Europe PMC
PMID:22401268
Europe PMC
Reaxys:1921286
Reaxys
Phosphoric acid
KEGG_COMPOUND
phosphoric acid
IUPAC
tetraoxophosphoric acid
IUPAC
trihydrogen tetraoxophosphate(3-)
IUPAC
trihydroxidooxidophosphorus
IUPAC
H3PO4
IUPAC
Orthophosphoric acid
KEGG_COMPOUND
Phosphate
KEGG_COMPOUND
Phosphorsaeure
ChEBI
Phosphorsaeureloesungen
ChEBI
[PO(OH)3]
IUPAC
acide phosphorique
ChEBI
acidum phosphoricum
ChEBI
orthophosphoric acid
NIST_Chemistry_WebBook
chebi_ontology
CHEBI:26079
phosphoric acid derivative
chebi_ontology
phosphorus molecular entities
CHEBI:26082
phosphorus molecular entity
phosphorus molecular entities
ChEBI
A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups (A closed class).
0
C8H6O4
166.131
166.02661
benzenedicarboxylic acid
chebi_ontology
CHEBI:26094
benzenedicarboxylic acid
benzenedicarboxylic acid
IUPAC
A toxin made by a plant that acts against an organism attacking it.
chebi_ontology
phytoalexins
CHEBI:26115
phytoalexin
phytoalexins
ChEBI
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
chebi_ontology
pigments
CHEBI:26130
biological pigment
pigments
ChEBI
chebi_ontology
CHEBI:26144
piperazines
chebi_ontology
CHEBI:26151
piperidines
A chemical, natural or artificial, that can affect the rate of growth of a plant.
chebi_ontology
plant growth regulators
CHEBI:26155
plant growth regulator
plant growth regulators
ChEBI
Any amino acid whose side chain is capable of forming one or more hydrogen bonds.
0
C2H4NO2R
74.059
74.02420
OC(C(*)N)=O
CHEBI:8283
MetaCyc:Polar-amino-acids
PMID:12016058
polar amino acid
chebi_ontology
polar amino acids
polar amino-acid
polar amino-acids
CHEBI:26167
polar amino acid
PMID:12016058
Europe PMC
polar amino acid
ChEBI
polar amino acids
ChEBI
polar amino-acid
ChEBI
polar amino-acids
ChEBI
A family of antibiotics containing a conjugated polyene moiety, usuallly isolated from some species of Streptomyces.
chebi_ontology
polyene antibiotics
CHEBI:26177
polyene antibiotic
polyene antibiotics
ChEBI
Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides.
polyketide
chebi_ontology
polyketides
CHEBI:26188
polyketide
polyketide
ChEBI
polyketides
ChEBI
A compound that contains two or more hydroxy groups.
chebi_ontology
polyols
CHEBI:26191
polyol
polyols
ChEBI
Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group.
Wikipedia:Polyphenol
chebi_ontology
polyphenols
CHEBI:26195
polyphenol
polyphenols
ChEBI
Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units.
0
(C5H8)nC10H18O
CHEBI:8317
KEGG:C06081
chebi_ontology
polyprenols
CHEBI:26199
polyprenol
polyprenols
ChEBI
Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome.
PMID:14977874
PMID:16380690
PMID:17891522
chebi_ontology
PUFA
PUFAs
polyunsaturated fatty acids
CHEBI:26208
polyunsaturated fatty acid
PMID:14977874
Europe PMC
PMID:16380690
Europe PMC
PMID:17891522
Europe PMC
PUFA
ChEBI
PUFAs
ChEBI
polyunsaturated fatty acids
ChEBI
0
K
InChI=1S/K
ZLMJMSJWJFRBEC-UHFFFAOYSA-N
39.09830
38.96371
[K]
CAS:7440-09-7
DrugBank:DB01345
KEGG:C00238
WebElements:K
potassium
chebi_ontology
19K
K
Kalium
kalium
potasio
potassium
CHEBI:26216
potassium atom
CAS:7440-09-7
ChemIDplus
potassium
IUPAC
19K
IUPAC
K
IUPAC
Kalium
ChemIDplus
kalium
IUPAC
potasio
ChEBI
potassium
ChEBI
potassium molecular entity
chebi_ontology
potassium molecular entities
CHEBI:26217
potassium molecular entity
potassium molecular entity
ChEBI
potassium molecular entities
ChEBI
Any alkali metal salt having potassium(1+) as the cation.
chebi_ontology
Kaliumsalz
Kaliumsalze
potassium salts
CHEBI:26218
potassium salt
Kaliumsalz
ChEBI
Kaliumsalze
ChEBI
potassium salts
ChEBI
Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids).
PMID:3113948
PMID:4207873
prenols
chebi_ontology
CHEBI:26244
prenols
PMID:3113948
Europe PMC
PMID:4207873
Europe PMC
prenols
IUPAC
An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.
0
C5H9NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
ONIBWKKTOPOVIA-UHFFFAOYSA-N
115.13050
115.06333
OC(=O)C1CCCN1
Beilstein:80809
CAS:609-36-9
Gmelin:26927
KEGG:C16435
PMID:16534801
PMID:21400017
PMID:21903295
PMID:22264337
PMID:22280966
PMID:22770225
Reaxys:80809
Wikipedia:Proline
proline
chebi_ontology
DL-Proline
Hpro
Prolin
prolina
pyrrolidine-2-carboxylic acid
CHEBI:26271
proline
Beilstein:80809
Beilstein
CAS:609-36-9
ChemIDplus
CAS:609-36-9
KEGG COMPOUND
CAS:609-36-9
NIST Chemistry WebBook
Gmelin:26927
Gmelin
PMID:16534801
Europe PMC
PMID:21400017
Europe PMC
PMID:21903295
Europe PMC
PMID:22264337
Europe PMC
PMID:22280966
Europe PMC
PMID:22770225
Europe PMC
Reaxys:80809
Reaxys
proline
ChEBI
proline
IUPAC
DL-Proline
KEGG_COMPOUND
Hpro
IUPAC
Prolin
ChEBI
prolina
ChEBI
pyrrolidine-2-carboxylic acid
IUPAC
An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues.
chebi_ontology
proline derivatives
CHEBI:26273
proline derivative
proline derivatives
ChEBI
Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine.
amidine
amidines
chebi_ontology
Amidines
amidines
CHEBI:2634
amidine
amidine
IUPAC
amidines
IUPAC
Amidines
KEGG_COMPOUND
amidines
ChEBI
An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.
0
C22H43N5O13
InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
LKCWBDHBTVXHDL-RMDFUYIESA-N
585.60272
585.28574
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
Beilstein:5915117
CAS:37517-28-5
DrugBank:DB00479
Drug_Central:157
HMDB:HMDB0014622
KEGG:C06820
KEGG:D02543
LINCS:LSM-5935
MetaCyc:CPD-14197
PMID:11744283
PMID:15305513
PMID:17365906
PMID:19495517
PMID:19752274
PMID:20195673
PMID:25296102
PMID:25327505
PMID:25339395
PMID:25630642
PMID:8622103
PMID:8622117
PMID:9327246
Patent:DE2234315
Patent:US3781268
Reaxys:5915117
Wikipedia:Amikacin
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide
Amikacin
chebi_ontology
1-N-(L(-)-gamma-amino-alpha-hydroxybutyryl)kanamycin A
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine
amikacin
amikacina
amikacine
amikacinum
CHEBI:2637
amikacin
Beilstein:5915117
Beilstein
CAS:37517-28-5
ChemIDplus
CAS:37517-28-5
KEGG COMPOUND
Drug_Central:157
DrugCentral
PMID:11744283
Europe PMC
PMID:15305513
Europe PMC
PMID:17365906
Europe PMC
PMID:19495517
Europe PMC
PMID:19752274
Europe PMC
PMID:20195673
Europe PMC
PMID:25296102
Europe PMC
PMID:25327505
Europe PMC
PMID:25339395
Europe PMC
PMID:25630642
Europe PMC
PMID:8622103
Europe PMC
PMID:8622117
Europe PMC
PMID:9327246
Europe PMC
Reaxys:5915117
Reaxys
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide
IUPAC
Amikacin
KEGG_COMPOUND
1-N-(L(-)-gamma-amino-alpha-hydroxybutyryl)kanamycin A
ChemIDplus
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine
ChemIDplus
amikacin
ChemIDplus
amikacina
ChemIDplus
amikacine
ChemIDplus
amikacinum
ChemIDplus
Any nucleotide that has a purine nucleobase.
chebi_ontology
purine nucleotides
CHEBI:26395
purine nucleotide
purine nucleotides
ChEBI
Any ribonucleotide that has a purine nucleobase.
chebi_ontology
purine ribonucleotides
CHEBI:26400
purine ribonucleotide
purine ribonucleotides
ChEBI
A class of imidazopyrimidines that consists of purine and its substituted derivatives.
0
C5N4R7
116.080
116.01230
CHEBI:13678
chebi_ontology
CHEBI:26401
purines
chebi_ontology
pyridine alkaloids
CHEBI:26416
pyridine alkaloid
pyridine alkaloids
ChEBI
A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring.
chebi_ontology
pyridinemonocarboxylic acids
CHEBI:26420
pyridinemonocarboxylic acid
pyridinemonocarboxylic acids
ChEBI
Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
chebi_ontology
CHEBI:26421
pyridines
A nucleobase whose skeleton is derived from pyrimidine.
0
C4HN2R4
77.064
77.01397
N1C(=C(C(=NC1=*)*)*)*
pyrimidine nucleobase
chebi_ontology
a pyrimidine nucleobase
pyrimidine bases
pyrimidine nucleobases
CHEBI:26432
pyrimidine nucleobase
pyrimidine nucleobase
ChEBI
a pyrimidine nucleobase
UniProt
pyrimidine bases
ChEBI
pyrimidine nucleobases
ChEBI
KEGG:C03169
chebi_ontology
N-D-Ribosylpyrimidine
pyrimidine nucleosides
CHEBI:26440
pyrimidine nucleoside
N-D-Ribosylpyrimidine
KEGG_COMPOUND
pyrimidine nucleosides
ChEBI
An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton.
chebi_ontology
CHEBI:26455
pyrroles
A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen.
chebi_ontology
CHEBI:26469
quaternary nitrogen compound
chebi_ontology
quinoline alkaloids
CHEBI:26509
quinoline alkaloid
quinoline alkaloids
ChEBI
Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent.
chebi_ontology
quinolinemonocarboxylic acids
CHEBI:26512
quinolinemonocarboxylic acid
quinolinemonocarboxylic acids
ChEBI
A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring.
chebi_ontology
CHEBI:26513
quinolines
Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers.
Wikipedia:Reactive_oxygen_species
chebi_ontology
ROS
CHEBI:26523
reactive oxygen species
ROS
ChEBI
chebi_ontology
ribonucleotides
CHEBI:26561
ribonucleotide
ribonucleotides
ChEBI
ribose phosphate
chebi_ontology
ribose phosphates
CHEBI:26562
ribose phosphate
ribose phosphate
ChEBI
ribose phosphates
ChEBI
Wikipedia:Rifamycin
chebi_ontology
rifamycin
CHEBI:26580
rifamycins
rifamycin
ChEBI
Any compound with a 1,3,5-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 3 and 5 of the core benzene ring structure.
chebi_ontology
s-triazines
CHEBI:26588
1,3,5-triazines
s-triazines
ChEBI
Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess.
PMID:16492686
PMID:19763019
PMID:20237329
saturated fatty acid
chebi_ontology
SFA
SFAs
saturated fatty acids
CHEBI:26607
saturated fatty acid
PMID:16492686
Europe PMC
PMID:19763019
Europe PMC
PMID:20237329
Europe PMC
saturated fatty acid
ChEBI
SFA
ChEBI
SFAs
ChEBI
saturated fatty acids
ChEBI
An amino acid derivative resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of serine by a heteroatom. The definition normally excludes peptides containing serine residues.
chebi_ontology
serine derivatives
CHEBI:26649
serine derivative
serine derivatives
ChEBI
Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
LIPID_MAPS_class:LMPR0103
chebi_ontology
sesquiterpenoides
sesquiterpenoids
CHEBI:26658
sesquiterpenoid
LIPID_MAPS_class:LMPR0103
LIPID MAPS
sesquiterpenoides
ChEBI
sesquiterpenoids
ChEBI
An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid.
0
CH2OR
45.017
44.99765
OC([*])=O
PMID:16633129
PMID:16870803
PMID:18203540
PMID:20148677
chebi_ontology
SCFA
SCFAs
short-chain fatty acids
CHEBI:26666
short-chain fatty acid
PMID:16633129
Europe PMC
PMID:16870803
Europe PMC
PMID:18203540
Europe PMC
PMID:20148677
Europe PMC
SCFA
ChEBI
SCFAs
ChEBI
short-chain fatty acids
ChEBI
0
Na
InChI=1S/Na
KEAYESYHFKHZAL-UHFFFAOYSA-N
22.98977
22.98977
[Na]
CAS:7440-23-5
Gmelin:16221
KEGG:C01330
WebElements:Na
sodium
chebi_ontology
11Na
Na
Natrium
natrium
sodio
sodium
CHEBI:26708
sodium atom
CAS:7440-23-5
ChemIDplus
Gmelin:16221
Gmelin
sodium
IUPAC
11Na
IUPAC
Na
IUPAC
Natrium
ChemIDplus
natrium
IUPAC
sodio
ChemIDplus
sodium
ChEBI
An inorganic chloride salt having sodium(1+) as the counterion.
0
ClNa
InChI=1S/ClH.Na/h1H;/q;+1/p-1
FAPWRFPIFSIZLT-UHFFFAOYSA-M
58.44247
57.95862
[Na+].[Cl-]
Beilstein:3534976
CAS:7647-14-5
Gmelin:13673
KEGG:C13563
KEGG:D02056
MetaCyc:NACL
PPDB:595
Reaxys:3534976
Wikipedia:Sodium_Chloride
sodium chloride
chebi_ontology
Kochsalz
NaCl
Natriumchlorid
chlorure de sodium
cloruro sodico
common salt
halite
natrii chloridum
rock salt
salt
table salt
CHEBI:26710
sodium chloride
Beilstein:3534976
Beilstein
CAS:7647-14-5
ChemIDplus
CAS:7647-14-5
KEGG COMPOUND
CAS:7647-14-5
NIST Chemistry WebBook
Gmelin:13673
Gmelin
Reaxys:3534976
Reaxys
sodium chloride
ChEBI
sodium chloride
IUPAC
Kochsalz
ChEBI
NaCl
IUPAC
Natriumchlorid
NIST_Chemistry_WebBook
chlorure de sodium
ChEBI
cloruro sodico
ChEBI
common salt
ChemIDplus
halite
NIST_Chemistry_WebBook
natrii chloridum
ChEBI
rock salt
ChemIDplus
salt
ChemIDplus
table salt
ChemIDplus
chebi_ontology
sodium compounds
sodium molecular entities
CHEBI:26712
sodium molecular entity
sodium compounds
ChEBI
sodium molecular entities
ChEBI
Any alkali metal salt having sodium(1+) as the cation.
chebi_ontology
Natriumsalz
Natriumsalze
sodium salts
CHEBI:26714
sodium salt
Natriumsalz
ChEBI
Natriumsalze
ChEBI
sodium salts
ChEBI
Sphingolipids are a complex family of compounds that share a common structural feature, a sphingoid base backbone.
chebi_ontology
sphingolipids
CHEBI:26739
sphingolipid
sphingolipids
ChEBI
A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.
0
C16H19N3O5S
InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
LSQZJLSUYDQPKJ-NJBDSQKTSA-N
365.40400
365.10454
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O
CHEBI:133770
Beilstein:4274654
CAS:26787-78-0
DrugBank:DB01060
Drug_Central:192
HMDB:HMDB0015193
KEGG:C06827
KEGG:D07452
LINCS:LSM-5654
PMID:10930630
PMID:11431418
PMID:11906332
PMID:12569987
PMID:12833570
PMID:12850488
PMID:16033609
PMID:2083978
PMID:24595455
PMID:24631718
PMID:24759068
PMID:25998949
PMID:27731424
PMID:28987997
PMID:29017833
Patent:DE1942693
Patent:GB1241844
Patent:GB978178
Patent:US3192198
Reaxys:4274654
VSDB:1741
Wikipedia:Amoxicillin
6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
Amoxicillin
chebi_ontology
(2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid
AMPC
AX
Amolin
Amopenixin
Amoxicillin anhydrous
Clamoxyl
Moxal
alpha-amino-p-hydroxybenzylpenicillin
amoxicilina
amoxicillin
amoxicilline
amoxicillinum
amoxycilin
amoxycillin
p-hydroxyampicillin
CHEBI:2676
amoxicillin
Beilstein:4274654
Beilstein
CAS:26787-78-0
ChemIDplus
CAS:26787-78-0
KEGG COMPOUND
Drug_Central:192
DrugCentral
PMID:10930630
Europe PMC
PMID:11431418
Europe PMC
PMID:11906332
Europe PMC
PMID:12569987
Europe PMC
PMID:12833570
Europe PMC
PMID:12850488
Europe PMC
PMID:16033609
Europe PMC
PMID:2083978
Europe PMC
PMID:24595455
Europe PMC
PMID:24631718
Europe PMC
PMID:24759068
Europe PMC
PMID:25998949
Europe PMC
PMID:27731424
Europe PMC
PMID:28987997
Europe PMC
PMID:29017833
Europe PMC
Reaxys:4274654
Reaxys
6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
Amoxicillin
KEGG_COMPOUND
(2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid
ChemIDplus
AMPC
DrugBank
AX
ChEBI
Amolin
DrugBank
Amopenixin
DrugBank
Amoxicillin anhydrous
KEGG_COMPOUND
Clamoxyl
ChemIDplus
Moxal
DrugBank
alpha-amino-p-hydroxybenzylpenicillin
ChemIDplus
amoxicilina
ChemIDplus
amoxicillin
KEGG_DRUG
amoxicilline
ChemIDplus
amoxicillinum
ChemIDplus
amoxycilin
ChEBI
amoxycillin
ChemIDplus
p-hydroxyampicillin
ChemIDplus
chebi_ontology
CHEBI:26761
steroid antibiotic
0
C14H12
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H
PJANXHGTPQOBST-UHFFFAOYSA-N
180.24508
180.09390
[H]C(=C([H])c1ccccc1)c1ccccc1
Beilstein:1904445
CAS:588-59-0
Gmelin:67845
Wikipedia:Stilbene
1,1'-(ethene-1,2-diyl)dibenzene
stilbene
chebi_ontology
1,1'-(1,2-ethenediyl)bis[benzene]
1,1'-(1,2-ethenediyl)bisbenzene
1,1'-(1,2-ethenediyl)dibenzene
1,1'-ethene-1,2-diyldibenzene
1,2-diphenylethylene
alpha,beta-diphenylethylene
CHEBI:26775
stilbene
Beilstein:1904445
ChemIDplus
CAS:588-59-0
ChemIDplus
CAS:588-59-0
NIST Chemistry WebBook
Gmelin:67845
Gmelin
1,1'-(ethene-1,2-diyl)dibenzene
IUPAC
stilbene
ChemIDplus
1,1'-(1,2-ethenediyl)bis[benzene]
NIST_Chemistry_WebBook
1,1'-(1,2-ethenediyl)bisbenzene
ChemIDplus
1,1'-(1,2-ethenediyl)dibenzene
ChemIDplus
1,1'-ethene-1,2-diyldibenzene
ChEBI
1,2-diphenylethylene
NIST_Chemistry_WebBook
alpha,beta-diphenylethylene
NIST_Chemistry_WebBook
Any olefinic compound characterised by a 1,2-diphenylethylene backbone.
chebi_ontology
stilbenes
stilbenoids
CHEBI:26776
stilbenoid
stilbenes
ChEBI
stilbenoids
ChEBI
chebi_ontology
CHEBI:26788
streptomycins
chebi_ontology
carbohydrate phosphates
CHEBI:26816
carbohydrate phosphate
carbohydrate phosphates
ChEBI
An ester of an alcohol and sulfuric acid.
0
O4SR2
96.06300
95.95173
[*]OS(=O)(=O)O[*]
chebi_ontology
sulfate ester
sulfuric acid ester
sulfuric acid esters
CHEBI:26819
sulfuric ester
sulfate ester
ChEBI
sulfuric acid ester
ChEBI
sulfuric acid esters
ChEBI
A macrolide antibiotic used to treat potentially life-threatening fungal infections.
0
C47H73NO17
InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
APKFDSVGJQXUKY-INPOYWNPSA-N
924.07900
923.48785
[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
CHEBI:106303
CHEBI:566395
Beilstein:4645978
CAS:1397-89-3
DrugBank:DB00681
Drug_Central:197
KEGG:C06573
KEGG:D00203
LIPID_MAPS_instance:LMPK06000002
PMID:11429202
PMID:11930683
PMID:15793154
PMID:16120633
PMID:16793999
PMID:1732516
PMID:17507115
PMID:33846129
Patent:US2908611
Reaxys:4645978
Wikipedia:Amphotericin_B
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
chebi_ontology
AMPH-B
Amphotericine B
Liposomal Amphotericin B
amfotericina B
amphotericin B
amphotericine B
amphotericinum B
CHEBI:2682
amphotericin B
Beilstein:4645978
Beilstein
CAS:1397-89-3
ChemIDplus
CAS:1397-89-3
DrugBank
CAS:1397-89-3
KEGG COMPOUND
CAS:1397-89-3
KEGG DRUG
Drug_Central:197
DrugCentral
LIPID_MAPS_instance:LMPK06000002
LIPID MAPS
PMID:11429202
Europe PMC
PMID:11930683
Europe PMC
PMID:15793154
Europe PMC
PMID:16120633
Europe PMC
PMID:16793999
Europe PMC
PMID:1732516
ChEMBL
PMID:17507115
ChEMBL
PMID:33846129
Europe PMC
Reaxys:4645978
Reaxys
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
IUPAC
AMPH-B
DrugBank
Amphotericine B
DrugBank
Liposomal Amphotericin B
DrugBank
amfotericina B
ChemIDplus
amphotericin B
KEGG_DRUG
amphotericine B
ChemIDplus
amphotericinum B
ChemIDplus
Salts and esters of sulfuric acid
sulfates
chebi_ontology
sulfuric acid derivative
sulphates
CHEBI:26820
sulfates
sulfates
ChEBI
sulfuric acid derivative
ChEBI
sulphates
ChEBI
Any sulfur molecular entity that involves either covalently bonded or anionic sulfur.
chebi_ontology
sulphides
CHEBI:26822
sulfide
sulphides
ChEBI
chebi_ontology
CHEBI:26830
sulfonium compound
0
S
InChI=1S/S
NINIDFKCEFEMDL-UHFFFAOYSA-N
32.06600
31.97207
[S]
CAS:7704-34-9
KEGG:C00087
KEGG:D06527
PPDB:605
WebElements:S
sulfur
chebi_ontology
16S
Elemental sulfur
S
Schwefel
azufre
soufre
sulfur
sulphur
theion
CHEBI:26833
sulfur atom
CAS:7704-34-9
ChemIDplus
CAS:7704-34-9
NIST Chemistry WebBook
sulfur
IUPAC
16S
IUPAC
Elemental sulfur
KEGG_COMPOUND
S
IUPAC
S
KEGG_COMPOUND
Schwefel
ChEBI
azufre
ChEBI
soufre
ChEBI
sulfur
ChEBI
sulfur
UniProt
sulphur
ChEBI
theion
IUPAC
sulfur molecular entity
chebi_ontology
sulfur molecular entities
CHEBI:26835
sulfur molecular entity
sulfur molecular entity
ChEBI
sulfur molecular entities
ChEBI
A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.
0
H2O4S
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
QAOWNCQODCNURD-UHFFFAOYSA-N
98.07948
97.96738
[H]OS(=O)(=O)O[H]
CAS:7664-93-9
Gmelin:2122
KEGG:C00059
KEGG:D05963
KNApSAcK:C00007530
MolBase:4
PMID:13568755
PMID:16122922
PMID:19397353
PMID:22047659
PMID:22136045
PMID:22204399
PMID:22267186
PMID:22296037
PMID:22364556
PMID:22435616
PPDB:606
Reaxys:2037554
Wikipedia:Sulfuric_acid
Sulfuric acid
dihydrogen tetraoxosulfate
dihydroxidodioxidosulfur
hydrogen tetraoxosulfate(2-)
hydrogen tetraoxosulfate(VI)
sulfuric acid
tetraoxosulfuric acid
chebi_ontology
Acide sulfurique
Acido sulfurico
Acidum sulfuricum
H2SO4
Schwefelsaeureloesungen
[S(OH)2O2]
[SO2(OH)2]
sulphuric acid
CHEBI:26836
sulfuric acid
CAS:7664-93-9
ChemIDplus
CAS:7664-93-9
KEGG COMPOUND
CAS:7664-93-9
NIST Chemistry WebBook
Gmelin:2122
Gmelin
PMID:13568755
Europe PMC
PMID:16122922
Europe PMC
PMID:19397353
Europe PMC
PMID:22047659
Europe PMC
PMID:22136045
Europe PMC
PMID:22204399
Europe PMC
PMID:22267186
Europe PMC
PMID:22296037
Europe PMC
PMID:22364556
Europe PMC
PMID:22435616
Europe PMC
Reaxys:2037554
Reaxys
Sulfuric acid
KEGG_COMPOUND
dihydrogen tetraoxosulfate
IUPAC
dihydroxidodioxidosulfur
IUPAC
hydrogen tetraoxosulfate(2-)
IUPAC
hydrogen tetraoxosulfate(VI)
IUPAC
sulfuric acid
ChEBI
sulfuric acid
IUPAC
tetraoxosulfuric acid
IUPAC
Acide sulfurique
ChemIDplus
Acido sulfurico
ChemIDplus
Acidum sulfuricum
ChemIDplus
H2SO4
IUPAC
Schwefelsaeureloesungen
ChemIDplus
[S(OH)2O2]
MolBase
[SO2(OH)2]
IUPAC
sulphuric acid
MolBase
Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group.
Wikipedia:Terpenoid
Terpenoid
terpenoids
chebi_ontology
terpenoide
terpenoides
CHEBI:26873
terpenoid
Terpenoid
ChEBI
terpenoids
IUPAC
terpenoide
IUPAC
terpenoides
IUPAC
A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
0
C4H7OR3
71.09780
71.04969
OC(C[*])(C[*])C[*]
tertiary alcohol
chebi_ontology
tertiary alcohols
CHEBI:26878
tertiary alcohol
tertiary alcohol
ChEBI
tertiary alcohols
ChEBI
Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions.
0
C6H2Cl4
215.892
213.89106
CAS:12408-10-5
tetrachlorobenzene
chebi_ontology
Tetrachlorbenzol
CHEBI:26888
tetrachlorobenzene
CAS:12408-10-5
ChemIDplus
tetrachlorobenzene
IUPAC
Tetrachlorbenzol
ChEBI
A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
chebi_ontology
CHEBI:26895
tetracyclines
Any oxacycle having an oxolane (tetrahydrofuran) skeleton.
chebi_ontology
CHEBI:26912
oxolanes
An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur.
chebi_ontology
thiocarboxylic esters
CHEBI:26959
thiocarboxylic ester
thiocarboxylic esters
ChEBI
An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
chebi_ontology
heterotricyclic compounds
organic heterotricyclic compounds
CHEBI:26979
organic heterotricyclic compound
heterotricyclic compounds
ChEBI
organic heterotricyclic compounds
ChEBI
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
Wikipedia:Toxin
toxin
chebi_ontology
toxins
CHEBI:27026
toxin
toxin
IUPAC
toxins
ChEBI
Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions.
Wikipedia:Micronutrient
chebi_ontology
micronutrients
trace elements
CHEBI:27027
micronutrient
micronutrients
ChEBI
trace elements
ChEBI
An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell.
transition element
chebi_ontology
Uebergangselement
Uebergangsmetalle
metal de transicion
metal de transition
metales de transicion
metaux de transition
transition element
transition elements
transition metal
transition metals
CHEBI:27081
transition element atom
transition element
IUPAC
Uebergangselement
ChEBI
Uebergangsmetalle
ChEBI
metal de transicion
ChEBI
metal de transition
ChEBI
metales de transicion
ChEBI
metaux de transition
ChEBI
transition element
ChEBI
transition elements
ChEBI
transition metal
ChEBI
transition metals
ChEBI
Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.
0
C6H3Cl3
181.447
179.93003
Wikipedia:Trichlorobenzene
trichlorobenzene
chebi_ontology
Trichlorbenzol
CHEBI:27096
trichlorobenzene
trichlorobenzene
IUPAC
Trichlorbenzol
ChEBI
A chemical compound containing three hydroxy groups.
chebi_ontology
triols
CHEBI:27136
triol
triols
ChEBI
chebi_ontology
heterobicyclic compounds
organic heterobicyclic compounds
CHEBI:27171
organic heterobicyclic compound
heterobicyclic compounds
ChEBI
organic heterobicyclic compounds
ChEBI
A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid.
chebi_ontology
univalent acyl group
univalent carboacyl groups
univalent carboxylic acyl groups
CHEBI:27207
univalent carboacyl group
univalent acyl group
ChEBI
univalent carboacyl groups
ChEBI
univalent carboxylic acyl groups
ChEBI
Any fatty acid containing at least one C=C or C#C bond.
LIPID_MAPS_class:LMFA0103
PMID:5322381
chebi_ontology
alkene acid
olefinic acid
unsaturated fatty acids
CHEBI:27208
unsaturated fatty acid
LIPID_MAPS_class:LMFA0103
LIPID MAPS
PMID:5322381
Europe PMC
alkene acid
ChEBI
olefinic acid
ChEBI
unsaturated fatty acids
ChEBI
unsaturated fatty acids
LIPID_MAPS
chebi_ontology
CHEBI:27242
uridines
A fatty acid which has a chain length greater than C22. Very long-chain fatty acids which have a chain length greater than C27 are also known as ultra-long-chain fatty acids.
0
CH2OR
45.017
44.99765
OC([*])=O
LIPID_MAPS_instance:LMFA01010025
chebi_ontology
VLCFA
VLCFAs
higher fatty acid
very long-chain fatty acids
CHEBI:27283
very long-chain fatty acid
LIPID_MAPS_instance:LMFA01010025
LIPID MAPS
VLCFA
ChEBI
VLCFAs
ChEBI
higher fatty acid
ChEBI
very long-chain fatty acids
ChEBI
Any plant metabolite that is found naturally as a component of a volatile oil.
Wikipedia:Essential_oil
chebi_ontology
essential oil component
essential oil components
ethereal oil component
ethereal oil components
volatile oil components
CHEBI:27311
volatile oil component
essential oil component
ChEBI
essential oil components
ChEBI
ethereal oil component
ChEBI
ethereal oil components
ChEBI
volatile oil components
ChEBI
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
chebi_ontology
wasserloesliche Vitamine
water-soluble vitamin
water-soluble vitamins
CHEBI:27314
water-soluble vitamin (role)
wasserloesliche Vitamine
ChEBI
water-soluble vitamin
ChEBI
water-soluble vitamins
ChEBI
0
Zn
InChI=1S/Zn
HCHKCACWOHOZIP-UHFFFAOYSA-N
65.39000
63.92914
[Zn]
CAS:7440-66-6
Gmelin:16321
KEGG:C00038
PDBeChem:ZN
WebElements:Zn
zinc
chebi_ontology
30Zn
Zink
Zn
Zn(II)
Zn2+
cinc
zinc
zincum
CHEBI:27363
zinc atom
CAS:7440-66-6
ChemIDplus
CAS:7440-66-6
KEGG COMPOUND
Gmelin:16321
Gmelin
zinc
IUPAC
30Zn
IUPAC
Zink
ChEBI
Zn
IUPAC
Zn(II)
KEGG_COMPOUND
Zn2+
KEGG_COMPOUND
cinc
ChEBI
zinc
ChEBI
zincum
ChEBI
chebi_ontology
zinc compounds
zinc molecular entities
CHEBI:27364
zinc molecular entity
zinc compounds
ChEBI
zinc molecular entities
ChEBI
A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer).
zwitterion
zwitterions
chebi_ontology
compose zwitterionique
compuestos zwitterionicos
zwitteriones
zwitterionic compounds
CHEBI:27369
zwitterion
zwitterion
IUPAC
zwitterions
IUPAC
compose zwitterionique
IUPAC
compuestos zwitterionicos
IUPAC
zwitteriones
IUPAC
zwitterionic compounds
IUPAC
An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups.
0
C8H18N6O4
InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6-
MSXMXWJPFIDEMT-FAEUDGQSSA-N
262.26630
262.13895
NC(=N)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@@H]1O
CHEBI:26781
CHEBI:9280
CAS:85-17-6
HMDB:HMDB0258506
KEGG:C00837
MetaCyc:CPD-10148
PMID:11642734
PMID:15736038
PMID:16956741
PMID:17011831
PMID:17609790
PMID:6076630
Reaxys:2816623
1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine
N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine
Streptidine
chebi_ontology
1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine
1,3-diguanidino-2,4,5,6-cyclohexanetetrol
N,N'-bis(aminoiminomethyl)streptamine
N,N'-diamidinostreptamine
Streptamine, N,N'-bis(aminoiminomethyl)-
streptidin
CHEBI:27405
streptidine
CAS:85-17-6
ChemIDplus
CAS:85-17-6
KEGG COMPOUND
PMID:11642734
Europe PMC
PMID:15736038
Europe PMC
PMID:16956741
Europe PMC
PMID:17011831
Europe PMC
PMID:17609790
Europe PMC
PMID:6076630
Europe PMC
Reaxys:2816623
Reaxys
1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine
IUPAC
N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine
IUPAC
Streptidine
KEGG_COMPOUND
1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine
ChemIDplus
1,3-diguanidino-2,4,5,6-cyclohexanetetrol
ChEBI
N,N'-bis(aminoiminomethyl)streptamine
ChEBI
N,N'-diamidinostreptamine
ChEBI
Streptamine, N,N'-bis(aminoiminomethyl)-
ChemIDplus
streptidin
ChemIDplus
0
C21H43N5O7
InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
CEAZRRDELHUEMR-URQXQFDESA-N
477.59562
477.31625
CNC(C)[C@@H]1CC[C@@H](N)[C@H](O1)O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O[C@H]2OC[C@](C)(O)[C@H](NC)[C@H]2O)[C@H]1O
CHEBI:24209
CHEBI:5309
CAS:25876-10-2
KEGG:C07656
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside
chebi_ontology
Gentamicin C1
O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine
CHEBI:27412
gentamycin C1
CAS:25876-10-2
ChemIDplus
CAS:25876-10-2
KEGG COMPOUND
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside
IUPAC
Gentamicin C1
KEGG_COMPOUND
O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine
ChemIDplus
A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.
0
C2H4O
InChI=1S/C2H4O/c1-2-3-1/h1-2H2
IAYPIBMASNFSPL-UHFFFAOYSA-N
44.05256
44.02621
C1CO1
CHEBI:24001
CHEBI:4900
Beilstein:102378
CAS:75-21-8
Gmelin:676
HMDB:HMDB0031305
KEGG:C06548
KEGG:D03474
PMID:11437638
PMID:24313866
PMID:24882394
PMID:25005741
PMID:3932500
Reaxys:102378
UM-BBD_compID:c0527
Wikipedia:Oxirane
oxirane
chebi_ontology
1,2-Epoxyaethan
1,2-epoxyethane
Aethylenoxid
Amprolene
Anprolene
Anproline
Dihydrooxirene
Dimethylene oxide
ETO
Ethylene oxide
Oxacyclopropane
Oxane
Oxidoethane
Oxyfume
epoxyethane
ethene oxide
oxyde d'ethylene
CHEBI:27561
oxirane
Beilstein:102378
Beilstein
CAS:75-21-8
ChemIDplus
CAS:75-21-8
KEGG COMPOUND
CAS:75-21-8
NIST Chemistry WebBook
Gmelin:676
Gmelin
PMID:11437638
Europe PMC
PMID:24313866
Europe PMC
PMID:24882394
Europe PMC
PMID:25005741
Europe PMC
PMID:3932500
Europe PMC
Reaxys:102378
Reaxys
UM-BBD_compID:c0527
UM-BBD
oxirane
IUPAC
1,2-Epoxyaethan
ChemIDplus
1,2-epoxyethane
NIST_Chemistry_WebBook
Aethylenoxid
ChemIDplus
Amprolene
ChemIDplus
Anprolene
NIST_Chemistry_WebBook
Anproline
ChemIDplus
Dihydrooxirene
ChemIDplus
Dimethylene oxide
ChemIDplus
ETO
ChemIDplus
Ethylene oxide
KEGG_COMPOUND
Oxacyclopropane
ChemIDplus
Oxane
ChemIDplus
Oxidoethane
ChemIDplus
Oxyfume
ChEBI
epoxyethane
NIST_Chemistry_WebBook
ethene oxide
NIST_Chemistry_WebBook
oxyde d'ethylene
ChemIDplus
An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.
0
C7H7NO3
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
WUBBRNOQWQTFEX-UHFFFAOYSA-N
153.13540
153.04259
Nc1ccc(C(O)=O)c(O)c1
CHEBI:1789
CHEBI:20320
CHEBI:41152
Beilstein:473071
CAS:65-49-6
DrugBank:DB00233
Drug_Central:2050
Gmelin:306153
HMDB:HMDB0014378
KEGG:C02518
KEGG:D00162
LINCS:LSM-5862
PDBeChem:BHA
PMID:11621575
PMID:1650428
PMID:23118010
PMID:24663015
PMID:25050392
PMID:25421465
PMID:25605031
PMID:25963985
PMID:26004847
PMID:26033719
PMID:26277036
PMID:26596566
PMID:26848874
PMID:27021327
PMID:27491492
PMID:27617928
PMID:27671064
PMID:28011126
PMID:28223391
PMID:28394286
PMID:28408267
PMID:28567674
PMID:28651968
PMID:28717039
PMID:28812999
Patent:DE50835
Patent:US2844625
Patent:US427564
Reaxys:473071
Wikipedia:Aminosalicylic_Acid
4-Aminosalicylic acid
4-amino-2-hydroxybenzoic acid
chebi_ontology
2-HYDROXY-4-AMINOBENZOIC ACID
4-Aminosalicylate
Aminosalicylic acid
PAS
Para-amino salicylic acid
Paser
p-aminosalicylic acid
CHEBI:27565
4-aminosalicylic acid
Beilstein:473071
Beilstein
CAS:65-49-6
ChemIDplus
CAS:65-49-6
KEGG COMPOUND
CAS:65-49-6
NIST Chemistry WebBook
Drug_Central:2050
DrugCentral
Gmelin:306153
Gmelin
PMID:11621575
Europe PMC
PMID:1650428
Europe PMC
PMID:23118010
Europe PMC
PMID:24663015
Europe PMC
PMID:25050392
Europe PMC
PMID:25421465
Europe PMC
PMID:25605031
Europe PMC
PMID:25963985
Europe PMC
PMID:26004847
Europe PMC
PMID:26033719
Europe PMC
PMID:26277036
Europe PMC
PMID:26596566
Europe PMC
PMID:26848874
Europe PMC
PMID:27021327
Europe PMC
PMID:27491492
Europe PMC
PMID:27617928
Europe PMC
PMID:27671064
Europe PMC
PMID:28011126
Europe PMC
PMID:28223391
Europe PMC
PMID:28394286
Europe PMC
PMID:28408267
Europe PMC
PMID:28567674
Europe PMC
PMID:28651968
Europe PMC
PMID:28717039
Europe PMC
PMID:28812999
Europe PMC
Reaxys:473071
Reaxys
4-Aminosalicylic acid
KEGG_COMPOUND
4-amino-2-hydroxybenzoic acid
IUPAC
2-HYDROXY-4-AMINOBENZOIC ACID
PDBeChem
4-Aminosalicylate
KEGG_COMPOUND
Aminosalicylic acid
ChemIDplus
PAS
ChemIDplus
Para-amino salicylic acid
ChemIDplus
Paser
DrugBank
p-aminosalicylic acid
NIST_Chemistry_WebBook
0
C
InChI=1S/C
OKTJSMMVPCPJKN-UHFFFAOYSA-N
12.01070
12.00000
[C]
CHEBI:23009
CHEBI:3399
CAS:7440-44-0
KEGG:C06265
WebElements:C
carbon
chebi_ontology
6C
C
Carbon
Kohlenstoff
carbon
carbone
carbonium
carbono
CHEBI:27594
carbon atom
CAS:7440-44-0
ChemIDplus
CAS:7440-44-0
KEGG COMPOUND
carbon
IUPAC
6C
IUPAC
C
IUPAC
C
KEGG_COMPOUND
Carbon
KEGG_COMPOUND
Kohlenstoff
ChEBI
carbon
ChEBI
carbone
ChEBI
carbonium
ChEBI
carbono
ChEBI
A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.
0
C28H40N2O9
InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
UIFFUZWRFRDZJC-SBOOETFBSA-N
548.633
548.27338
C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O
CHEBI:22584
CHEBI:40908
Beilstein:72665
CAS:1397-94-0
CAS:642-15-9
KEGG:C11339
MetaCyc:CPD-5744
PDBeChem:AY1
PMID:16819166
PMID:29790043
PMID:30914247
PMID:31079230
PMID:32662599
(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate
chebi_ontology
Antimycin A1
Antipiricullin
Fintrol
Virosin
antimycin A1b
CHEBI:2762
antimycin A
Beilstein:72665
Beilstein
CAS:1397-94-0
ChemIDplus
CAS:642-15-9
ChemIDplus
CAS:642-15-9
KEGG COMPOUND
PMID:16819166
Europe PMC
PMID:29790043
Europe PMC
PMID:30914247
Europe PMC
PMID:31079230
Europe PMC
PMID:32662599
Europe PMC
(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate
IUPAC
Antimycin A1
KEGG_COMPOUND
Antipiricullin
ChemIDplus
Fintrol
ChemIDplus
Virosin
ChemIDplus
antimycin A1b
ChEBI
A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.
0
C15H23NO4
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
YPHMISFOHDHNIV-FSZOTQKASA-N
281.352
281.16271
[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
CHEBI:23484
CHEBI:4015
Beilstein:88868
CAS:66-81-9
KEGG:C06685
KEGG:D03625
KNApSAcK:C00047211
LINCS:LSM-2791
PDBeChem:3HE
PMID:11972861
PMID:16659174
PMID:25209664
PMID:26715760
PMID:27192630
PMID:27665925
PMID:30154175
PMID:30916348
PMID:32299921
PMID:33101237
PPDB:1680
Reaxys:88868
Wikipedia:Cycloheximide
4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
Cycloheximide
cycloheximide
chebi_ontology
3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide
Cycloheximid
Zykloheximid
cicloheximida
cicloheximide
cicloheximidum
naramycin
naramycin A
CHEBI:27641
cycloheximide
Beilstein:88868
Beilstein
CAS:66-81-9
ChemIDplus
CAS:66-81-9
KEGG COMPOUND
PMID:11972861
Europe PMC
PMID:16659174
Europe PMC
PMID:25209664
Europe PMC
PMID:26715760
Europe PMC
PMID:27192630
Europe PMC
PMID:27665925
Europe PMC
PMID:30154175
Europe PMC
PMID:30916348
Europe PMC
PMID:32299921
Europe PMC
PMID:33101237
Europe PMC
Reaxys:88868
Reaxys
4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
IUPAC
Cycloheximide
KEGG_COMPOUND
cycloheximide
UniProt
3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide
ChemIDplus
Cycloheximid
ChEBI
Zykloheximid
ChEBI
cicloheximida
ChemIDplus
cicloheximide
WHO_MedNet
cicloheximidum
ChemIDplus
naramycin
ChemIDplus
naramycin A
ChemIDplus
A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.
0
C22H23ClN2O8
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
CYDMQBQPVICBEU-XRNKAMNCSA-N
478.88000
478.11429
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O
CHEBI:23164
CHEBI:3653
CAS:57-62-5
Drug_Central:624
HMDB:HMDB0014401
KEGG:C06571
KEGG:D07689
LIPID_MAPS_instance:LMPK07000004
PDBeChem:CTC
PMID:23530364
PMID:24845506
PMID:25131164
PMID:25602656
PMID:7150561
PMID:7390959
PMID:7988792
Patent:US2482055
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
chebi_ontology
7-Chlorotetracycline
Aueromycin
chlortetracycline
chlortetracyclinum
clortetraciclina
CHEBI:27644
chlortetracycline
CAS:57-62-5
ChemIDplus
CAS:57-62-5
KEGG COMPOUND
Drug_Central:624
DrugCentral
LIPID_MAPS_instance:LMPK07000004
LIPID MAPS
PMID:23530364
Europe PMC
PMID:24845506
Europe PMC
PMID:25131164
Europe PMC
PMID:25602656
Europe PMC
PMID:7150561
Europe PMC
PMID:7390959
Europe PMC
PMID:7988792
Europe PMC
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC
7-Chlorotetracycline
KEGG_COMPOUND
Aueromycin
KEGG_DRUG
chlortetracycline
WHO_MedNet
chlortetracyclinum
WHO_MedNet
clortetraciclina
WHO_MedNet
A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer).
0
C20H16N2O4
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
VSJKWCGYPAHWDS-FQEVSTJZSA-N
348.35200
348.11101
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
CHEBI:22997
CHEBI:3343
Beilstein:6075662
CAS:7689-03-4
DrugBank:DB04690
KEGG:C01897
KNApSAcK:C00002145
LINCS:LSM-4611
PDBeChem:EHD
PMID:11024478
PMID:11549373
PMID:23344961
PMID:23474217
PMID:23676007
PMID:8965250
Reaxys:6075662
Wikipedia:Camptothecin
(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
Camptothecin
chebi_ontology
(+)-camptothecin
(+)-camptothecine
(S)-(+)-camptothecin
20(S)-camptothecine
21,22-Secocamptothecin-21-oic acid lactone
CPT
Camptothecine
D-camptothecin
CHEBI:27656
camptothecin
Beilstein:6075662
Beilstein
CAS:7689-03-4
ChemIDplus
PMID:11024478
Europe PMC
PMID:11549373
Europe PMC
PMID:23344961
Europe PMC
PMID:23474217
Europe PMC
PMID:23676007
Europe PMC
PMID:8965250
Europe PMC
Reaxys:6075662
Reaxys
(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
IUPAC
Camptothecin
KEGG_COMPOUND
(+)-camptothecin
DrugBank
(+)-camptothecine
DrugBank
(S)-(+)-camptothecin
DrugBank
20(S)-camptothecine
ChemIDplus
21,22-Secocamptothecin-21-oic acid lactone
ChemIDplus
CPT
DrugBank
Camptothecine
ChemIDplus
D-camptothecin
DrugBank
0
C62H86N12O16
InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1
RJURFGZVJUQBHK-IIXSONLDSA-N
1255.41700
1254.62847
[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
CHEBI:22218
CHEBI:2446
Beilstein:4173766
CAS:50-76-0
DrugBank:DB00970
Drug_Central:774
KEGG:C06770
KEGG:D00214
LINCS:LSM-5783
Wikipedia:Dactinomycin
2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide
Actinomycin D
chebi_ontology
2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
ActD
Dactinomycin
actinomycin C1
actinomycin IV
CHEBI:27666
actinomycin D
Beilstein:4173766
Beilstein
CAS:50-76-0
ChemIDplus
CAS:50-76-0
KEGG COMPOUND
Drug_Central:774
DrugCentral
2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide
IUPAC
Actinomycin D
KEGG_COMPOUND
2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
ChemIDplus
ActD
ChEBI
Dactinomycin
KEGG_COMPOUND
actinomycin C1
ChEBI
actinomycin IV
ChemIDplus
A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.
0
C22H24N2O9
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
IWVCMVBTMGNXQD-PXOLEDIWSA-N
460.43400
460.14818
[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
CHEBI:25811
CHEBI:521157
CHEBI:596903
CHEBI:7871
BPDB:503
Beilstein:2686362
Beilstein:2714587
CAS:79-57-2
DrugBank:DB00595
Drug_Central:2041
Gmelin:623487
HMDB:HMDB0014733
KEGG:C06624
KNApSAcK:C00017127
LIPID_MAPS_instance:LMPK07000005
PMID:1650428
PMID:17386724
PMID:17638695
PMID:17870541
PMID:1833366
PMID:21136283
PMID:21488905
PMID:22013404
PMID:24247133
PMID:24281679
PMID:24290103
PMID:24362004
PMID:24510709
PMID:24607684
PMID:24853528
PMID:24983832
PMID:25019386
PMID:25035320
PMID:25081007
Pesticides:oxytetracycline
Reaxys:2714587
VSDB:503
Wikipedia:Oxytetracycline
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
chebi_ontology
5-Hydroxytetracycline
Oxyterracin
Oxyterracine
Oxytetracyclin
Oxytetracycline (anhydrous)
Oxytetracycline amphoteric
oxitetraciclina
oxytetracyclinum
CHEBI:27701
oxytetracycline
Beilstein:2686362
Beilstein
Beilstein:2714587
Beilstein
CAS:79-57-2
ChemIDplus
CAS:79-57-2
KEGG COMPOUND
Drug_Central:2041
DrugCentral
Gmelin:623487
Gmelin
LIPID_MAPS_instance:LMPK07000005
LIPID MAPS
PMID:1650428
Europe PMC
PMID:17386724
Europe PMC
PMID:17638695
ChEMBL
PMID:17870541
ChEMBL
PMID:1833366
Europe PMC
PMID:21136283
Europe PMC
PMID:21488905
Europe PMC
PMID:22013404
Europe PMC
PMID:24247133
Europe PMC
PMID:24281679
Europe PMC
PMID:24290103
Europe PMC
PMID:24362004
Europe PMC
PMID:24510709
Europe PMC
PMID:24607684
Europe PMC
PMID:24853528
Europe PMC
PMID:24983832
Europe PMC
PMID:25019386
Europe PMC
PMID:25035320
Europe PMC
PMID:25081007
Europe PMC
Pesticides:oxytetracycline
Alan Wood's Pesticides
Reaxys:2714587
Reaxys
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC
5-Hydroxytetracycline
ChemIDplus
Oxyterracin
ChemIDplus
Oxyterracine
ChemIDplus
Oxytetracyclin
ChemIDplus
Oxytetracycline (anhydrous)
ChemIDplus
Oxytetracycline amphoteric
ChemIDplus
oxitetraciclina
ChemIDplus
oxytetracyclinum
ChemIDplus
A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
CHEBI:23648
CHEBI:4456
KEGG:C01689
detergent
chebi_ontology
Detergents
CHEBI:27780
detergent
detergent
IUPAC
Detergents
KEGG_COMPOUND
A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group.
0
C7H7N3
InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
JWYUFVNJZUSCSM-UHFFFAOYSA-N
133.15070
133.06400
Nc1nc2ccccc2[nH]1
CHEBI:1016
CHEBI:19467
Beilstein:116525
CAS:934-32-7
KEGG:C10901
PDBeChem:AX7
PMID:22076761
PMID:22488868
PMID:22958065
PMID:24098350
Reaxys:116525
1H-benzimidazol-2-amine
2-Aminobenzimidazole
2-aminobenzimidazole
chebi_ontology
2-Iminobenzimidazoline
Benzimidazol-2-ylamine
CHEBI:27822
2-aminobenzimidazole
Beilstein:116525
Beilstein
CAS:934-32-7
ChemIDplus
CAS:934-32-7
KEGG COMPOUND
CAS:934-32-7
NIST Chemistry WebBook
PMID:22076761
Europe PMC
PMID:22488868
Europe PMC
PMID:22958065
Europe PMC
PMID:24098350
Europe PMC
Reaxys:116525
Reaxys
1H-benzimidazol-2-amine
IUPAC
2-Aminobenzimidazole
KEGG_COMPOUND
2-aminobenzimidazole
UniProt
2-Iminobenzimidazoline
ChemIDplus
Benzimidazol-2-ylamine
ChemIDplus
A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups.
0
C14H12O3
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H
LUKBXSAWLPMMSZ-UHFFFAOYSA-N
228.24328
228.07864
[H]C(=C([H])c1cc(O)cc(O)c1)c1ccc(O)cc1
CHEBI:11685
CHEBI:1366
CHEBI:19867
Beilstein:1912433
CAS:501-36-0
DrugBank:DB02709
KEGG:C03582
LINCS:LSM-2557
PMID:12939617
PMID:16461283
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Resveratrol
chebi_ontology
3,4',5-Trihydroxystilbene
CHEBI:27881
resveratrol
Beilstein:1912433
Beilstein
CAS:501-36-0
KEGG COMPOUND
PMID:12939617
Europe PMC
PMID:16461283
Europe PMC
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
IUPAC
Resveratrol
KEGG_COMPOUND
3,4',5-Trihydroxystilbene
KEGG_COMPOUND
A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.
0
C22H24N2O8
InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
OFVLGDICTFRJMM-WESIUVDSSA-N
444.43460
444.15327
[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
CHEBI:26894
CHEBI:45729
CHEBI:9474
Beilstein:2230417
CAS:60-54-8
DrugBank:DB00759
Drug_Central:2611
Gmelin:1103368
KEGG:C06570
KEGG:D00201
MetaCyc:CPD0-1414
PDBeChem:TAC
PMID:11061623
PMID:11550419
PMID:11744940
PMID:12934399
PMID:14585720
PMID:15825421
PMID:15913752
PMID:16443056
PMID:1650428
PMID:16749547
PMID:17251127
PMID:17260506
PMID:18326855
PMID:18406588
PMID:19032078
PMID:19112759
PMID:19136803
PMID:25286144
PMID:26876942
Patent:US2699054
Patent:US2712517
Patent:US2886595
Patent:US3005023
Patent:US3019173
Patent:US3301899
Reaxys:2230417
VSDB:1739
Wikipedia:Tetracycline
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
TETRACYCLINE
Tetracycline
tetracycline
chebi_ontology
(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
Abramycin
Achromycin
Anhydrotetracycline
Deschlorobiomycin
Liquamycin
Tetracyclin
Tetrazyklin
Tsiklomitsin
tetracycline
tetracyclinum
CHEBI:27902
tetracycline
Beilstein:2230417
Beilstein
CAS:60-54-8
ChemIDplus
CAS:60-54-8
KEGG COMPOUND
Drug_Central:2611
DrugCentral
Gmelin:1103368
Gmelin
PMID:11061623
Europe PMC
PMID:11550419
Europe PMC
PMID:11744940
Europe PMC
PMID:12934399
Europe PMC
PMID:14585720
Europe PMC
PMID:15825421
Europe PMC
PMID:15913752
Europe PMC
PMID:16443056
Europe PMC
PMID:1650428
Europe PMC
PMID:16749547
Europe PMC
PMID:17251127
Europe PMC
PMID:17260506
Europe PMC
PMID:18326855
Europe PMC
PMID:18406588
Europe PMC
PMID:19032078
Europe PMC
PMID:19112759
Europe PMC
PMID:19136803
Europe PMC
PMID:25286144
Europe PMC
PMID:26876942
Europe PMC
Reaxys:2230417
Reaxys
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC
TETRACYCLINE
PDBeChem
Tetracycline
KEGG_COMPOUND
tetracycline
ChEBI
(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
ChemIDplus
Abramycin
ChemIDplus
Achromycin
ChEBI
Anhydrotetracycline
DrugBank
Deschlorobiomycin
ChemIDplus
Liquamycin
ChemIDplus
Tetracyclin
ChEBI
Tetrazyklin
ChEBI
Tsiklomitsin
ChemIDplus
tetracycline
ChemIDplus
tetracyclinum
ChemIDplus
An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring.
CHEBI:10427
CHEBI:22844
KEGG:C03438
PMID:19254642
PMID:22594007
Wikipedia:Beta-lactam_antibiotic
chebi_ontology
beta-Lactam antibiotics
beta-lactam antibiotics
CHEBI:27933
beta-lactam antibiotic
PMID:19254642
Europe PMC
PMID:22594007
Europe PMC
beta-Lactam antibiotics
KEGG_COMPOUND
beta-lactam antibiotics
ChEBI
An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups.
0
C6H14N2O4
InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3-,4+,5-,6-
ANLMVXSIPASBFL-FAEUDGQSSA-N
178.18640
178.09536
N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O
CHEBI:26779
CHEBI:9277
Beilstein:26714
CAS:488-52-8
KEGG:C01854
Reaxys:2802452
(1R,2r,3S,4R,5s,6S)-4,6-diaminocyclohexane-1,2,3,5-tetrol
1,3-diamino-1,3-dideoxy-scyllo-inositol
Streptamine
chebi_ontology
CHEBI:27955
streptamine
Beilstein:26714
Beilstein
CAS:488-52-8
ChemIDplus
CAS:488-52-8
KEGG COMPOUND
Reaxys:2802452
Reaxys
(1R,2r,3S,4R,5s,6S)-4,6-diaminocyclohexane-1,2,3,5-tetrol
IUPAC
1,3-diamino-1,3-dideoxy-scyllo-inositol
IUPAC
Streptamine
KEGG_COMPOUND
A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.
0
C66H75Cl2N9O24
InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
MYPYJXKWCTUITO-LYRMYLQWSA-N
1449.25336
1447.43020
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2
CHEBI:27276
CHEBI:49941
CHEBI:9931
Beilstein:3132
CAS:1404-90-6
DrugBank:DB00512
Drug_Central:2807
KEGG:C06689
KEGG:D00212
KNApSAcK:C00016052
MetaCyc:CPD-12245
PDBeChem:VAN
PMID:11028184
PMID:11408222
PMID:11688538
PMID:11864951
PMID:11886013
PMID:11980329
PMID:12019070
PMID:12541895
PMID:12852813
PMID:13370625
PMID:13521912
PMID:14605050
PMID:14702667
PMID:15047516
PMID:15081082
PMID:15465645
PMID:15590714
PMID:15792257
PMID:16183423
PMID:16184232
PMID:16420976
PMID:16596002
PMID:16720708
PMID:17027219
PMID:17184835
PMID:17299012
PMID:17594206
PMID:18030187
PMID:18159039
PMID:18162343
PMID:18260149
PMID:18361944
PMID:18462092
PMID:18582342
PMID:18817166
PMID:18983037
PMID:19107100
PMID:19830166
PMID:20956604
PMID:21109901
PMID:21458937
PMID:21466775
PMID:21664803
PMID:21719238
PMID:21951032
PMID:22011388
PMID:22015328
PMID:22027450
PMID:22124537
Patent:US3067099
Reaxys:3132
Wikipedia:Vancomycin
(3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
VANCOMYCIN
Vancomycin
chebi_ontology
(1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
Vancocin
vancomicin
vancomicina
vancomycin
vancomycine
vancomycinum
CHEBI:28001
vancomycin
Beilstein:3132
Beilstein
CAS:1404-90-6
ChemIDplus
CAS:1404-90-6
KEGG COMPOUND
Drug_Central:2807
DrugCentral
PMID:11028184
Europe PMC
PMID:11408222
Europe PMC
PMID:11688538
Europe PMC
PMID:11864951
Europe PMC
PMID:11886013
Europe PMC
PMID:11980329
Europe PMC
PMID:12019070
Europe PMC
PMID:12541895
Europe PMC
PMID:12852813
Europe PMC
PMID:13370625
Europe PMC
PMID:13521912
Europe PMC
PMID:14605050
Europe PMC
PMID:14702667
Europe PMC
PMID:15047516
Europe PMC
PMID:15081082
Europe PMC
PMID:15465645
Europe PMC
PMID:15590714
Europe PMC
PMID:15792257
Europe PMC
PMID:16183423
Europe PMC
PMID:16184232
Europe PMC
PMID:16420976
Europe PMC
PMID:16596002
Europe PMC
PMID:16720708
Europe PMC
PMID:17027219
Europe PMC
PMID:17184835
Europe PMC
PMID:17299012
Europe PMC
PMID:17594206
Europe PMC
PMID:18030187
Europe PMC
PMID:18159039
Europe PMC
PMID:18162343
Europe PMC
PMID:18260149
Europe PMC
PMID:18361944
Europe PMC
PMID:18462092
Europe PMC
PMID:18582342
Europe PMC
PMID:18817166
Europe PMC
PMID:18983037
Europe PMC
PMID:19107100
Europe PMC
PMID:19830166
Europe PMC
PMID:20956604
Europe PMC
PMID:21109901
Europe PMC
PMID:21458937
Europe PMC
PMID:21466775
Europe PMC
PMID:21664803
Europe PMC
PMID:21719238
Europe PMC
PMID:21951032
Europe PMC
PMID:22011388
Europe PMC
PMID:22015328
Europe PMC
PMID:22027450
Europe PMC
PMID:22124537
Europe PMC
Reaxys:3132
Reaxys
(3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
IUPAC
VANCOMYCIN
PDBeChem
Vancomycin
KEGG_COMPOUND
(1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
ChEBI
(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]
JCBN
Vancocin
KEGG_DRUG
vancomicin
ChEBI
vancomicina
ChemIDplus
vancomycin
ChemIDplus
vancomycine
ChemIDplus
vancomycinum
ChemIDplus
A member of the class of rifamycins that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei).
0
C43H58N4O12
InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
JQXXHWHPUNPDRT-WLSIYKJHSA-N
822.94020
822.40512
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CCN(C)CC1)c(O)c4c3C2=O
CHEBI:26577
CHEBI:45308
CHEBI:8858
Beilstein:5723476
CAS:13292-46-1
DrugBank:DB01045
HMDB:HMDB0015179
KEGG:C06688
KEGG:D00211
PDBeChem:RFP
PMID:11600355
PMID:14665784
PMID:14670633
PMID:15331348
PMID:15383168
PMID:15705662
PMID:16159084
PMID:16515773
PMID:17828712
PMID:18332862
PMID:19386087
PMID:19458074
PMID:19723399
PMID:24718527
PMID:25720500
PMID:26725427
PMID:26819743
PMID:27082586
PMID:27143080
PMID:27182275
PMID:27242224
PMID:27470132
PMID:27569735
PMID:27617596
PMID:27640793
PMID:27755552
PMID:27795624
PMID:27883163
PMID:27965540
PMID:27993874
PMID:28081169
PMID:28118809
PMID:28181840
PMID:28184157
PMID:28207542
PMID:28262820
Patent:NL6509961
Patent:US3342810
Reaxys:5723476
Wikipedia:Rifampicin
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate
Rifampicin
chebi_ontology
3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV
RFP
Rifampin
rifamcin
rifampicin
rifampicina
rifampicinum
CHEBI:28077
rifampicin
Beilstein:5723476
Beilstein
CAS:13292-46-1
ChemIDplus
CAS:13292-46-1
KEGG COMPOUND
PMID:11600355
Europe PMC
PMID:14665784
Europe PMC
PMID:14670633
Europe PMC
PMID:15331348
Europe PMC
PMID:15383168
Europe PMC
PMID:15705662
Europe PMC
PMID:16159084
Europe PMC
PMID:16515773
Europe PMC
PMID:17828712
Europe PMC
PMID:18332862
Europe PMC
PMID:19386087
Europe PMC
PMID:19458074
Europe PMC
PMID:19723399
Europe PMC
PMID:24718527
Europe PMC
PMID:25720500
Europe PMC
PMID:26725427
Europe PMC
PMID:26819743
Europe PMC
PMID:27082586
Europe PMC
PMID:27143080
Europe PMC
PMID:27182275
Europe PMC
PMID:27242224
Europe PMC
PMID:27470132
Europe PMC
PMID:27569735
Europe PMC
PMID:27617596
Europe PMC
PMID:27640793
Europe PMC
PMID:27755552
Europe PMC
PMID:27795624
Europe PMC
PMID:27883163
Europe PMC
PMID:27965540
Europe PMC
PMID:27993874
Europe PMC
PMID:28081169
Europe PMC
PMID:28118809
Europe PMC
PMID:28181840
Europe PMC
PMID:28184157
Europe PMC
PMID:28207542
Europe PMC
PMID:28262820
Europe PMC
Reaxys:5723476
Reaxys
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate
IUPAC
Rifampicin
KEGG_COMPOUND
3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV
ChemIDplus
RFP
DrugBank
Rifampin
KEGG_COMPOUND
rifamcin
ChEBI
rifampicin
KEGG_DRUG
rifampicina
DrugBank
rifampicinum
DrugBank
CHEBI:10422
CHEBI:22818
KEGG:C02761
beta-L-Arabinoside
chebi_ontology
beta-L-arabinosides
CHEBI:28079
beta-L-arabinoside
beta-L-Arabinoside
KEGG_COMPOUND
beta-L-arabinosides
ChEBI
CHEBI:1462
CHEBI:19970
KEGG:C03674
chebi_ontology
3-(carbamoyloxymethyl)cephalosporins
3-Carbamoyloxymethylcephem
CHEBI:28084
3-(carbamoyloxymethyl)cephalosporin
3-(carbamoyloxymethyl)cephalosporins
ChEBI
3-Carbamoyloxymethylcephem
KEGG_COMPOUND
0
C18H37N5O10
InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
SKKLOUVUUNMCJE-FQSMHNGLSA-N
483.51390
483.25404
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
CHEBI:14489
CHEBI:24948
CHEBI:24949
CHEBI:6107
Beilstein:61646
CAS:4696-76-8
Drug_Central:1520
KEGG:C00825
KEGG:D07497
KNApSAcK:C00018692
PDBeChem:9CS
(1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
Kanamycin B
chebi_ontology
2'-amino-2'-deoxykanamycin
Bekanamycin
Nebramycin V
Nebramycin factor 5
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->6))-2-deoxy-D-streptamine
CHEBI:28098
kanamycin B
Beilstein:61646
Beilstein
CAS:4696-76-8
ChemIDplus
CAS:4696-76-8
KEGG COMPOUND
Drug_Central:1520
DrugCentral
(1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
IUPAC
Kanamycin B
KEGG_COMPOUND
2'-amino-2'-deoxykanamycin
ChemIDplus
Bekanamycin
KEGG_COMPOUND
Nebramycin V
ChemIDplus
Nebramycin factor 5
KEGG_COMPOUND
O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->6))-2-deoxy-D-streptamine
ChemIDplus
A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica).
0
C23H22O6
InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
JUVIOZPCNVVQFO-HBGVWJBISA-N
394.423
394.14164
[H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C
CHEBI:26583
CHEBI:8897
BPDB:587
Beilstein:99070
CAS:83-79-4
DrugBank:DB11457
FooDB:FDB012837
HMDB:HMDB0034436
KEGG:C07593
KNApSAcK:C00002568
LINCS:LSM-5260
LIPID_MAPS_instance:LMPK12060007
PDBeChem:970
PMID:14976342
PMID:15043430
PMID:15790535
PMID:17077549
PMID:19013527
PMID:32972993
PMID:33402167
PMID:33901458
PMID:33961406
Patent:CN102007944
Patent:CN102090406
Reaxys:99070
VSDB:587
Wikipedia:Rotenone
(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
Rotenone
chebi_ontology
(-)-cis-rotenone
(-)-rotenone
(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one
5'beta-rotenone
Derris
[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one
barbasco
canex
dactinol
noxfire
paraderil
tubatoxin
CHEBI:28201
rotenone
Beilstein:99070
Beilstein
CAS:83-79-4
ChemIDplus
CAS:83-79-4
KEGG COMPOUND
CAS:83-79-4
NIST Chemistry WebBook
LIPID_MAPS_instance:LMPK12060007
LIPID MAPS
PMID:14976342
Europe PMC
PMID:15043430
Europe PMC
PMID:15790535
Europe PMC
PMID:17077549
Europe PMC
PMID:19013527
Europe PMC
PMID:32972993
Europe PMC
PMID:33402167
Europe PMC
PMID:33901458
Europe PMC
PMID:33961406
Europe PMC
Reaxys:99070
Reaxys
(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
IUPAC
Rotenone
KEGG_COMPOUND
(-)-cis-rotenone
ChemIDplus
(-)-rotenone
ChemIDplus
(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one
ChEBI
5'beta-rotenone
NIST_Chemistry_WebBook
Derris
ChEBI
[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one
NIST_Chemistry_WebBook
barbasco
ChemIDplus
canex
ChemIDplus
dactinol
ChemIDplus
noxfire
ChemIDplus
paraderil
ChemIDplus
tubatoxin
ChemIDplus
A monocarboxylic acid anion that is the conjugate base of dichloroacetic acid.
-1
C2HCl2O2
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1
JXTHNDFMNIQAHM-UHFFFAOYSA-M
127.93400
126.93591
[O-]C(=O)C(Cl)Cl
CHEBI:23694
Beilstein:3903873
CAS:13425-80-4
Gmelin:200685
MetaCyc:CPD-9674
PMID:21153705
Reaxys:3903873
UM-BBD_compID:c0012
dichloroacetate
chebi_ontology
dichloracetate
dichloroacetate ion
dichloroacetic acid ion(1-)
CHEBI:28240
dichloroacetate
Beilstein:3903873
ChemIDplus
CAS:13425-80-4
ChemIDplus
Gmelin:200685
Gmelin
PMID:21153705
Europe PMC
Reaxys:3903873
Reaxys
UM-BBD_compID:c0012
UM-BBD
dichloroacetate
IUPAC
dichloracetate
ChemIDplus
dichloroacetate ion
ChemIDplus
dichloroacetic acid ion(1-)
ChemIDplus
A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine.
0
CH5N3O
InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
DUIOPKIIICUYRZ-UHFFFAOYSA-N
75.07002
75.04326
NNC(N)=O
CHEBI:26644
CHEBI:9102
Beilstein:506319
CAS:57-56-7
Gmelin:100758
KEGG:C02077
MetaCyc:SEMICARBAZIDE
PMID:11958526
PMID:17499072
PMID:23194563
PMID:23683401
Reaxys:506319
Wikipedia:Semicarbazide
Semicarbazide
hydrazinecarboxamide
chebi_ontology
Aminoharnstoff
Aminourea
Carbamidsaeurehydrazid
Carbamoylhydrazine
Hydrazinecarboxamide
Semikarbazid
carbamylhydrazine
carbazamide
CHEBI:28306
semicarbazide
Beilstein:506319
Beilstein
CAS:57-56-7
ChemIDplus
CAS:57-56-7
KEGG COMPOUND
CAS:57-56-7
NIST Chemistry WebBook
Gmelin:100758
Gmelin
PMID:11958526
Europe PMC
PMID:17499072
Europe PMC
PMID:23194563
Europe PMC
PMID:23683401
Europe PMC
Reaxys:506319
Reaxys
Semicarbazide
KEGG_COMPOUND
hydrazinecarboxamide
IUPAC
Aminoharnstoff
ChEBI
Aminourea
KEGG_COMPOUND
Carbamidsaeurehydrazid
ChEBI
Carbamoylhydrazine
KEGG_COMPOUND
Hydrazinecarboxamide
KEGG_COMPOUND
Semikarbazid
NIST_Chemistry_WebBook
carbamylhydrazine
ChemIDplus
carbazamide
ChemIDplus
A coumarin-derived antibiotic obtained from Streptomyces niveus.
0
C31H36N2O11
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
YJQPYGGHQPGBLI-KGSXXDOSSA-N
612.62430
612.23191
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
CHEBI:25597
CHEBI:44505
CHEBI:7644
CAS:303-81-1
DrugBank:DB01051
Drug_Central:1974
HMDB:HMDB0015185
KEGG:C05080
KNApSAcK:C00002487
LINCS:LSM-5910
PDBeChem:NOV
PMID:17132020
PMID:18418407
PMID:19282394
PMID:19762445
PMID:20325309
PMID:21388139
PMID:22897434
PMID:26844397
PMID:26926630
PMID:27829510
PMID:27914946
PMID:28246042
PMID:28316592
PMID:9687383
Patent:WO2012049521
Patent:WO2012103487
Reaxys:1445842
Novobiocin
chebi_ontology
N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
novobiocina
novobiocine
novobiocinum
CHEBI:28368
novobiocin
CAS:303-81-1
ChemIDplus
CAS:303-81-1
KEGG COMPOUND
Drug_Central:1974
DrugCentral
PMID:17132020
Europe PMC
PMID:18418407
Europe PMC
PMID:19282394
Europe PMC
PMID:19762445
Europe PMC
PMID:20325309
Europe PMC
PMID:21388139
Europe PMC
PMID:22897434
Europe PMC
PMID:26844397
Europe PMC
PMID:26926630
Europe PMC
PMID:27829510
Europe PMC
PMID:27914946
Europe PMC
PMID:28246042
Europe PMC
PMID:28316592
Europe PMC
PMID:9687383
Europe PMC
Reaxys:1445842
Reaxys
Novobiocin
KEGG_COMPOUND
N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
ChEBI
novobiocina
DrugBank
novobiocine
DrugBank
novobiocinum
DrugBank
0
C19H37N5O7R2
447.527
447.26930
CHEBI:14294
CHEBI:24208
CHEBI:5308
CAS:11097-82-8
KEGG:C01918
chebi_ontology
Gentamicin C
CHEBI:28417
gentamycin C
CAS:11097-82-8
KEGG COMPOUND
Gentamicin C
KEGG_COMPOUND
A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains.
0
C54H90N6O18
InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1
FCFNRCROJUBPLU-DNDCDFAISA-N
1111.32180
1110.63116
CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
CHEBI:27269
CHEBI:66347
CHEBI:9924
Beilstein:78657
CAS:2001-95-8
KEGG:C06684
PMID:10603383
PMID:18633285
PMID:19347893
PMID:22683555
PMID:7590182
Reaxys:78657
Wikipedia:Valinomycin
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Valinomycin
chebi_ontology
Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)
cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3
CHEBI:28545
valinomycin
Beilstein:78657
Beilstein
Beilstein:78657
ChemIDplus
CAS:2001-95-8
ChemIDplus
CAS:2001-95-8
KEGG COMPOUND
PMID:10603383
Europe PMC
PMID:18633285
Europe PMC
PMID:19347893
Europe PMC
PMID:22683555
Europe PMC
PMID:7590182
Europe PMC
Reaxys:78657
Reaxys
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
IUPAC
Valinomycin
KEGG_COMPOUND
Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)
ChemIDplus
cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3
ChEBI
A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.
0
C15H26O
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
CRDAMVZIKSXKFV-UHFFFAOYSA-N
222.36634
222.19837
[H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C
CHEBI:24013
CHEBI:24014
CHEBI:4978
Beilstein:1763926
CAS:4602-84-0
DrugBank:DB02509
HMDB:HMDB0004305
KEGG:C01493
KNApSAcK:C00003132
LINCS:LSM-5398
PMID:17640272
PMID:19402910
PMID:23902158
PMID:24987733
Reaxys:1763926
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Farnesol
farnesol
chebi_ontology
3,7,11-trimethyl-2,6,10-dodecatrien-1-ol
3,7,11-trimethyl-2,6,10-dodecatrienol
farnesyl alcohol
CHEBI:28600
farnesol
Beilstein:1763926
Beilstein
CAS:4602-84-0
ChemIDplus
CAS:4602-84-0
KEGG COMPOUND
CAS:4602-84-0
NIST Chemistry WebBook
PMID:17640272
Europe PMC
PMID:19402910
Europe PMC
PMID:23902158
Europe PMC
PMID:24987733
Europe PMC
Reaxys:1763926
Reaxys
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
IUPAC
Farnesol
KEGG_COMPOUND
farnesol
UniProt
3,7,11-trimethyl-2,6,10-dodecatrien-1-ol
ChemIDplus
3,7,11-trimethyl-2,6,10-dodecatrienol
NIST_Chemistry_WebBook
farnesyl alcohol
NIST_Chemistry_WebBook
A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.
0
CH3NO2
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
KXDHJXZQYSOELW-UHFFFAOYSA-N
61.04006
61.01638
NC(O)=O
CHEBI:22504
CHEBI:23002
CHEBI:3386
CHEBI:44573
Beilstein:1734754
CAS:463-77-4
DrugBank:DB04261
Gmelin:130345
KEGG:C01563
PDBeChem:OUT
Wikipedia:Carbamic_acid
CARBAMIC ACID
Carbamic acid
carbamic acid
chebi_ontology
Aminoameisensaeure
Aminoformic acid
Carbamate
Carbamidsaeure
CHEBI:28616
carbamic acid
Beilstein:1734754
Beilstein
CAS:463-77-4
ChemIDplus
CAS:463-77-4
KEGG COMPOUND
Gmelin:130345
Gmelin
CARBAMIC ACID
PDBeChem
Carbamic acid
KEGG_COMPOUND
carbamic acid
IUPAC
Aminoameisensaeure
ChEBI
Aminoformic acid
KEGG_COMPOUND
Carbamate
KEGG_COMPOUND
Carbamidsaeure
ChEBI
0
P
InChI=1S/P
OAICVXFJPJFONN-UHFFFAOYSA-N
30.97376
30.97376
[P]
CHEBI:26080
CHEBI:8168
CAS:7723-14-0
Gmelin:16235
KEGG:C06262
WebElements:P
phosphorus
chebi_ontology
15P
P
Phosphor
Phosphorus
fosforo
phosphore
phosphorus
CHEBI:28659
phosphorus atom
CAS:7723-14-0
ChemIDplus
CAS:7723-14-0
KEGG COMPOUND
Gmelin:16235
Gmelin
phosphorus
IUPAC
15P
IUPAC
P
IUPAC
P
KEGG_COMPOUND
Phosphor
ChEBI
Phosphorus
KEGG_COMPOUND
fosforo
ChEBI
phosphore
ChEBI
phosphorus
ChEBI
A mixture of at least nine closely related homodetic cyclic peptides produced by Bacillus subtilis and B. licheniformis, which is particularly active against Gram-positive bacteria.
C63H98N14O14S
CHEBI:22684
CHEBI:2970
CAS:1405-87-4
DrugBank:DB00626
KEGG:C01667
KEGG:D00128
PMID:22114686
Wikipedia:Bacitracin
Bacitracin
chebi_ontology
Baciim
bacitracin
bacitracina
bacitracine
bacitracins
bacitracinum
CHEBI:28669
bacitracin
CAS:1405-87-4
ChemIDplus
CAS:1405-87-4
KEGG COMPOUND
PMID:22114686
Europe PMC
Bacitracin
KEGG_COMPOUND
Baciim
KEGG_DRUG
bacitracin
WHO_MedNet
bacitracina
WHO_MedNet
bacitracine
WHO_MedNet
bacitracins
ChEBI
bacitracinum
WHO_MedNet
0
Cu
InChI=1S/Cu
RYGMFSIKBFXOCR-UHFFFAOYSA-N
63.54600
62.92960
[Cu]
CHEBI:23376
CHEBI:3874
CAS:7440-50-8
Gmelin:16269
KEGG:C00070
WebElements:Cu
copper
chebi_ontology
29Cu
Copper
Cu
Kupfer
cobre
copper
cuivre
cuprum
CHEBI:28694
copper atom
CAS:7440-50-8
ChemIDplus
CAS:7440-50-8
KEGG COMPOUND
Gmelin:16269
Gmelin
copper
IUPAC
29Cu
IUPAC
Copper
KEGG_COMPOUND
Cu
ChEBI
Cu
IUPAC
Kupfer
ChEBI
cobre
ChEBI
copper
ChEBI
cuivre
ChEBI
cuprum
IUPAC
A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).
0
C12H26
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
SNRUBQQJIBEYMU-UHFFFAOYSA-N
170.33484
170.20345
CCCCCCCCCCCC
CHEBI:25464
CHEBI:41713
CHEBI:4675
Beilstein:1697175
CAS:112-40-3
DrugBank:DB02771
Gmelin:201408
HMDB:HMDB0031444
KEGG:C08374
KNApSAcK:C00001248
LIPID_MAPS_instance:LMFA11000004
MetaCyc:CPD-9290
PDBeChem:D12
PMID:24493301
Reaxys:1697175
Wikipedia:Dodecane
DODECANE
Dodecane
dodecane
chebi_ontology
Bihexyl
CH3-[CH2]10-CH3
Dihexyl
Dodekan
n-Dodecane
CHEBI:28817
dodecane
Beilstein:1697175
ChemIDplus
CAS:112-40-3
ChemIDplus
CAS:112-40-3
KEGG COMPOUND
CAS:112-40-3
NIST Chemistry WebBook
Gmelin:201408
Gmelin
LIPID_MAPS_instance:LMFA11000004
LIPID MAPS
PMID:24493301
Europe PMC
Reaxys:1697175
Reaxys
DODECANE
PDBeChem
Dodecane
KEGG_COMPOUND
dodecane
IUPAC
dodecane
UniProt
Bihexyl
HMDB
CH3-[CH2]10-CH3
IUPAC
Dihexyl
HMDB
Dodekan
ChEBI
n-Dodecane
KEGG_COMPOUND
A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring.
0
C18H37N5O9
InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
NLVFBUXFDBBNBW-PBSUHMDJSA-N
467.51450
467.25913
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
CHEBI:19849
CHEBI:45933
CHEBI:9610
CAS:32986-56-4
DrugBank:DB00684
Drug_Central:2684
KEGG:C00397
KEGG:D00063
LINCS:LSM-6534
PDBeChem:TOY
PMID:11000679
PMID:11072877
PMID:11459219
PMID:11478352
PMID:14961139
PMID:15813341
PMID:16205136
PMID:16239129
PMID:16478137
PMID:16650821
PMID:17150225
PMID:18331849
PMID:19072156
PMID:19220547
PMID:19340717
PMID:19465435
PMID:20000576
PMID:20884302
PMID:20938669
PMID:21275493
PMID:21343445
PMID:21357290
PMID:21396748
PMID:21414310
PMID:21429824
PMID:21438171
PMID:21530479
PMID:21592592
PMID:21726492
PMID:21756818
PMID:21796931
PMID:21815282
Reaxys:1357507
Wikipedia:Tobramycin
(1S,2S,3R,4S,6R)-4,6-diamino-3-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
Tobramycin
chebi_ontology
3'-Deoxykanamycin B
Nebramycin 6
Nebramycin factir 6
O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine
Tobracin (TN)
Tobrex (TN)
CHEBI:28864
tobramycin
CAS:32986-56-4
ChemIDplus
CAS:32986-56-4
KEGG COMPOUND
Drug_Central:2684
DrugCentral
PMID:11000679
Europe PMC
PMID:11072877
Europe PMC
PMID:11459219
Europe PMC
PMID:11478352
Europe PMC
PMID:14961139
Europe PMC
PMID:15813341
Europe PMC
PMID:16205136
Europe PMC
PMID:16239129
Europe PMC
PMID:16478137
Europe PMC
PMID:16650821
Europe PMC
PMID:17150225
Europe PMC
PMID:18331849
Europe PMC
PMID:19072156
Europe PMC
PMID:19220547
Europe PMC
PMID:19340717
Europe PMC
PMID:19465435
Europe PMC
PMID:20000576
Europe PMC
PMID:20884302
Europe PMC
PMID:20938669
Europe PMC
PMID:21275493
Europe PMC
PMID:21343445
Europe PMC
PMID:21357290
Europe PMC
PMID:21396748
Europe PMC
PMID:21414310
Europe PMC
PMID:21429824
Europe PMC
PMID:21438171
Europe PMC
PMID:21530479
Europe PMC
PMID:21592592
Europe PMC
PMID:21726492
Europe PMC
PMID:21756818
Europe PMC
PMID:21796931
Europe PMC
PMID:21815282
Europe PMC
Reaxys:1357507
Reaxys
(1S,2S,3R,4S,6R)-4,6-diamino-3-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside
IUPAC
Tobramycin
KEGG_COMPOUND
3'-Deoxykanamycin B
KEGG_COMPOUND
Nebramycin 6
ChemIDplus
Nebramycin factir 6
KEGG_COMPOUND
O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine
ChemIDplus
Tobracin (TN)
KEGG_DRUG
Tobrex (TN)
KEGG_DRUG
A C24 straight-chain saturated fatty acid.
0
C24H48O2
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
QZZGJDVWLFXDLK-UHFFFAOYSA-N
368.63670
368.36543
CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
CHEBI:25467
CHEBI:26892
CHEBI:6458
Beilstein:1728237
CAS:557-59-5
Gmelin:107095
HMDB:HMDB0002003
KEGG:C08320
KNApSAcK:C00001223
LIPID_MAPS_instance:LMFA01010024
MetaCyc:TETRACOSANOATE
PMID:21781003
PMID:23019902
PMID:23157011
PMID:23394615
PMID:23871298
PMID:24491713
PMID:3174658
Reaxys:1728237
Wikipedia:Lignoceric_acid
Tetracosanoic acid
tetracosanoic acid
chebi_ontology
CH3-[CH2]22-COOH
Lignoceric acid
Lignozerinsaeure
Tetracosansaeure
n-tetracosanoic acid
tetracosanic acid
tetracosoic acid
tetraeicosanoic acid
tetraicosanoic acid
CHEBI:28866
tetracosanoic acid
Beilstein:1728237
Beilstein
CAS:557-59-5
ChemIDplus
CAS:557-59-5
KEGG COMPOUND
CAS:557-59-5
NIST Chemistry WebBook
Gmelin:107095
Gmelin
LIPID_MAPS_instance:LMFA01010024
LIPID MAPS
PMID:21781003
Europe PMC
PMID:23019902
Europe PMC
PMID:23157011
Europe PMC
PMID:23394615
Europe PMC
PMID:23871298
Europe PMC
PMID:24491713
Europe PMC
PMID:3174658
Europe PMC
Reaxys:1728237
Reaxys
Tetracosanoic acid
KEGG_COMPOUND
tetracosanoic acid
IUPAC
CH3-[CH2]22-COOH
IUPAC
Lignoceric acid
KEGG_COMPOUND
Lignozerinsaeure
ChEBI
Tetracosansaeure
ChEBI
n-tetracosanoic acid
ChEBI
tetracosanic acid
ChEBI
tetracosoic acid
ChEBI
tetraeicosanoic acid
ChEBI
tetraicosanoic acid
ChEBI
The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid.
-1
CO2R
44.00950
43.98983
[O-]C([*])=O
CHEBI:13634
CHEBI:24022
CHEBI:4985
KEGG:C02403
PMID:18628202
Fatty acid anion
chebi_ontology
Alkanate
Fettsaeureanion
Fettsaeureanionen
a fatty acid
acido graso anionico
acidos grasos anionicos
anion de l'acide gras
fatty acid anions
CHEBI:28868
fatty acid anion
PMID:18628202
Europe PMC
Fatty acid anion
KEGG_COMPOUND
Alkanate
KEGG_COMPOUND
Fettsaeureanion
ChEBI
Fettsaeureanionen
ChEBI
a fatty acid
UniProt
acido graso anionico
ChEBI
acidos grasos anionicos
ChEBI
anion de l'acide gras
ChEBI
fatty acid anions
ChEBI
An imidazolidine-2,4-dione in which the nitrogen at position 1 is substituted by an N-(isopropyl)carboxamide group while that at position 3 is substituted by a 3,5-dichlorophenyl group. A contact fungicide, it blocks the growth of the fungal mycelium and inhibits the germination of fungal spores. It is used on fruit and vegetable crops affected by various fungal diseases. It is also used as a nematicide.
0
C13H13Cl2N3O3
InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
ONUFESLQCSAYKA-UHFFFAOYSA-N
330.16700
329.03340
CC(C)NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1
CHEBI:24871
CHEBI:8902
Beilstein:895003
CAS:36734-19-7
HMDB:HMDB0031795
KEGG:C11208
PMID:11451425
PMID:22115616
PMID:22262495
PPDB:403
Patent:CN103053579
Patent:CN103392726
Patent:DE2149923
Patent:US3755350
Pesticides:iprodione
Reaxys:895003
UM-BBD_compID:c0635
Wikipedia:Iprodione
3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)-imidazolidine-1-carboxamide
Iprodione
chebi_ontology
3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin
3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide
3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide
3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide
3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide
Rovral
Rovrol
CHEBI:28909
iprodione
Beilstein:895003
Beilstein
CAS:36734-19-7
ChemIDplus
CAS:36734-19-7
KEGG COMPOUND
CAS:36734-19-7
NIST Chemistry WebBook
PMID:11451425
Europe PMC
PMID:22115616
Europe PMC
PMID:22262495
Europe PMC
Pesticides:iprodione
Alan Wood's Pesticides
Reaxys:895003
Reaxys
UM-BBD_compID:c0635
UM-BBD
3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)-imidazolidine-1-carboxamide
IUPAC
Iprodione
KEGG_COMPOUND
3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin
NIST_Chemistry_WebBook
3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide
ChemIDplus
3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide
UM-BBD
3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide
IUPAC
3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide
ChemIDplus
3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide
ChemIDplus
Rovral
ChEBI
Rovral
KEGG_COMPOUND
Rovrol
KEGG_COMPOUND
A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.
0
C3H7O4P
InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
YMDXZJFXQJVXBF-STHAYSLISA-N
138.05900
138.00820
C[C@@H]1O[C@@H]1P(O)(O)=O
CHEBI:24100
CHEBI:42503
CHEBI:8159
CAS:23155-02-4
DrugBank:DB00828
Drug_Central:1243
KEGG:C06454
KEGG:D04253
KNApSAcK:C00000789
MetaCyc:CPD0-1113
PDBeChem:FCN
PMID:105327
PMID:17124631
PMID:19308743
PMID:2660079
PMID:288976
PMID:3464490
PMID:3900889
PMID:488578
PMID:614140
PMID:6348659
PMID:6796449
PMID:7030849
PMID:7224844
PMID:740308
PMID:9309262
Reaxys:1680831
FOSFOMYCIN
[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
chebi_ontology
(-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid
(1R,2S)-epoxypropylphosphonic acid
(2R-cis)-(3-Methyloxiranyl)phosphonic acid
1R-cis-(1,2-epoxypropyl)phosphonic acid
FCM
L-cis-1,2-epoxypropylphosphonic acid
Phosphomycin
Phosphonomycin
cis-(1R,2S)-epoxypropylphosphonic acid
fosfomicina
fosfomycin
fosfomycine
fosfomycinum
phosphonemycin
CHEBI:28915
fosfomycin
CAS:23155-02-4
ChemIDplus
CAS:23155-02-4
KEGG COMPOUND
Drug_Central:1243
DrugCentral
PMID:105327
Europe PMC
PMID:17124631
Europe PMC
PMID:19308743
Europe PMC
PMID:2660079
Europe PMC
PMID:288976
Europe PMC
PMID:3464490
Europe PMC
PMID:3900889
Europe PMC
PMID:488578
Europe PMC
PMID:614140
Europe PMC
PMID:6348659
Europe PMC
PMID:6796449
Europe PMC
PMID:7030849
Europe PMC
PMID:7224844
Europe PMC
PMID:740308
Europe PMC
PMID:9309262
Europe PMC
Reaxys:1680831
Reaxys
FOSFOMYCIN
PDBeChem
[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
IUPAC
(-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid
ChemIDplus
(1R,2S)-epoxypropylphosphonic acid
MetaCyc
(2R-cis)-(3-Methyloxiranyl)phosphonic acid
ChemIDplus
1R-cis-(1,2-epoxypropyl)phosphonic acid
ChEBI
FCM
KEGG_DRUG
L-cis-1,2-epoxypropylphosphonic acid
MetaCyc
Phosphomycin
ChemIDplus
Phosphonomycin
KEGG_COMPOUND
cis-(1R,2S)-epoxypropylphosphonic acid
MetaCyc
fosfomicina
ChemIDplus
fosfomycin
KEGG_DRUG
fosfomycine
ChemIDplus
fosfomycinum
ChemIDplus
phosphonemycin
MetaCyc
An onium cation obtained by protonation of ammonia.
+1
H4N
InChI=1S/H3N/h1H3/p+1
QGZKDVFQNNGYKY-UHFFFAOYSA-O
18.03850
18.03383
[H][N+]([H])([H])[H]
CHEBI:22534
CHEBI:49783
CHEBI:7435
CAS:14798-03-9
Gmelin:84
KEGG:C01342
MetaCyc:AMMONIUM
MolBase:929
PDBeChem:NH4
PMID:11319011
PMID:11341317
PMID:12096804
PMID:14512268
PMID:14879753
PMID:16345391
PMID:16903292
PMID:17392693
PMID:18515490
PMID:19199063
PMID:19596600
PMID:19682559
PMID:19716251
PMID:21993530
PMID:22265469
PMID:22524020
PMID:22562341
PMID:22631217
Reaxys:16093784
Wikipedia:Ammonium
ammonium
azanium
chebi_ontology
Ammonium(1+)
NH4(+)
NH4+
[NH4](+)
ammonium cation
ammonium ion
CHEBI:28938
ammonium
CAS:14798-03-9
ChemIDplus
CAS:14798-03-9
NIST Chemistry WebBook
Gmelin:84
Gmelin
PMID:11319011
Europe PMC
PMID:11341317
Europe PMC
PMID:12096804
Europe PMC
PMID:14512268
Europe PMC
PMID:14879753
Europe PMC
PMID:16345391
Europe PMC
PMID:16903292
Europe PMC
PMID:17392693
Europe PMC
PMID:18515490
Europe PMC
PMID:19199063
Europe PMC
PMID:19596600
Europe PMC
PMID:19682559
Europe PMC
PMID:19716251
Europe PMC
PMID:21993530
Europe PMC
PMID:22265469
Europe PMC
PMID:22524020
Europe PMC
PMID:22562341
Europe PMC
PMID:22631217
Europe PMC
Reaxys:16093784
Reaxys
ammonium
ChEBI
ammonium
IUPAC
azanium
IUPAC
Ammonium(1+)
ChemIDplus
NH4(+)
IUPAC
NH4(+)
UniProt
NH4+
KEGG_COMPOUND
[NH4](+)
MolBase
ammonium cation
ChemIDplus
ammonium ion
PDBeChem
Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups.
CHEBI:22481
CHEBI:22530
CHEBI:2662
KEGG:C05383
PMID:18424273
PMID:9056391
chebi_ontology
Aminosugars
amino sugars
aminosugar
CHEBI:28963
amino sugar
PMID:18424273
Europe PMC
PMID:9056391
Europe PMC
Aminosugars
KEGG_COMPOUND
amino sugars
ChEBI
aminosugar
ChEBI
A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid.
-2
C2O4R
88.019
87.97966
[O-]C(=O)[*]C([O-])=O
CHEBI:13632
CHEBI:23688
CHEBI:23689
CHEBI:38711
dicarboxylic acid dianion
chebi_ontology
a dicarboxylate
dicarboxylate
dicarboxylates
dicarboxylic acid dianions
CHEBI:28965
dicarboxylic acid dianion
dicarboxylic acid dianion
ChEBI
a dicarboxylate
UniProt
dicarboxylate
ChEBI
dicarboxylates
ChEBI
dicarboxylic acid dianions
ChEBI
A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.
0
C16H19N3O4S
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
AVKUERGKIZMTKX-NJBDSQKTSA-N
349.40500
349.10963
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O
CHEBI:22536
CHEBI:2683
CHEBI:40648
CHEBI:45042
Beilstein:4300240
CAS:69-53-4
DrugBank:DB00415
Drug_Central:198
HMDB:HMDB0014559
KEGG:C06574
KEGG:D00204
LINCS:LSM-5761
PDB:1H8S
PDBeChem:AIC
PDBeChem:PN1
PMID:10930630
PMID:12562703
PMID:12569987
PMID:12833570
PMID:14139119
PMID:14455820
PMID:15768449
PMID:16033609
PMID:18611716
PMID:19967069
PMID:2083978
PMID:23568176
PMID:23861268
PMID:24474427
PMID:24666465
PMID:25998949
PMID:28543395
PMID:29017833
PMID:6176550
PMID:8020088
PMID:9433938
Patent:GB902703
Patent:US2985648
Patent:US3157640
Reaxys:4300240
VSDB:1849
Wikipedia:Ampicillin
6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
Ampicillin
chebi_ontology
(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
ABPC
AMP
AP
Anhydrous ampicillin
D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid
D-(-)-ampicillin
aminobenzylpenicillin
ampicilina
ampicillin
ampicillin acid
ampicillin anhydrous
ampicilline
ampicillinum
CHEBI:28971
ampicillin
Beilstein:4300240
Beilstein
CAS:69-53-4
ChemIDplus
Drug_Central:198
DrugCentral
PMID:10930630
Europe PMC
PMID:12562703
Europe PMC
PMID:12569987
Europe PMC
PMID:12833570
Europe PMC
PMID:14139119
Europe PMC
PMID:14455820
Europe PMC
PMID:15768449
Europe PMC
PMID:16033609
Europe PMC
PMID:18611716
Europe PMC
PMID:19967069
Europe PMC
PMID:2083978
Europe PMC
PMID:23568176
Europe PMC
PMID:23861268
Europe PMC
PMID:24474427
Europe PMC
PMID:24666465
Europe PMC
PMID:25998949
Europe PMC
PMID:28543395
Europe PMC
PMID:29017833
Europe PMC
PMID:6176550
Europe PMC
PMID:8020088
Europe PMC
PMID:9433938
Europe PMC
Reaxys:4300240
Reaxys
6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
Ampicillin
KEGG_COMPOUND
(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
PDBeChem
(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
(2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PDBeChem
6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
ChemIDplus
ABPC
ChEBI
AMP
ChEBI
AP
ChEBI
Anhydrous ampicillin
KEGG_COMPOUND
D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid
ChemIDplus
D-(-)-ampicillin
ChemIDplus
aminobenzylpenicillin
DrugBank
ampicilina
ChemIDplus
ampicillin
ChemIDplus
ampicillin acid
DrugBank
ampicillin anhydrous
DrugBank
ampicilline
ChemIDplus
ampicillinum
ChemIDplus
0
CH2O3
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
BVKZGUZCCUSVTD-UHFFFAOYSA-N
62.02478
62.00039
OC(O)=O
CHEBI:13351
CHEBI:23017
CHEBI:23744
CHEBI:3401
CAS:463-79-6
Gmelin:25554
KEGG:C01353
PDBeChem:CO3
Carbonic acid
carbonic acid
dihydroxidooxidocarbon
chebi_ontology
Dihydrogen carbonate
H2CO3
Koehlensaeure
[CO(OH)2]
CHEBI:28976
carbonic acid
CAS:463-79-6
ChemIDplus
CAS:463-79-6
KEGG COMPOUND
Gmelin:25554
Gmelin
Carbonic acid
KEGG_COMPOUND
carbonic acid
IUPAC
dihydroxidooxidocarbon
IUPAC
Dihydrogen carbonate
KEGG_COMPOUND
H2CO3
IUPAC
H2CO3
KEGG_COMPOUND
Koehlensaeure
ChEBI
[CO(OH)2]
IUPAC
A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups.
0
C18H18N8O7S3
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
VAAUVRVFOQPIGI-SPQHTLEESA-N
554.58000
554.04606
[H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
CHEBI:23059
CHEBI:3513
CHEBI:446214
Beilstein:6495519
CAS:73384-59-5
DrugBank:DB01212
Drug_Central:564
HMDB:HMDB0015343
KEGG:C06683
KEGG:D07659
MetaCyc:CPD-12294
PMID:11067716
PMID:11285492
PMID:11431418
PMID:11432680
PMID:11529382
PMID:11605716
PMID:11642230
PMID:11760218
PMID:11815759
PMID:11856984
PMID:11875753
PMID:11985490
PMID:12146884
PMID:12426628
PMID:12569987
PMID:12711894
PMID:12797390
PMID:12830336
PMID:12833570
PMID:12868545
PMID:1384868
PMID:15091234
PMID:15106316
PMID:15225244
PMID:15499067
PMID:15828439
PMID:15846537
PMID:15880392
PMID:15886468
PMID:16082406
PMID:16118675
PMID:16161754
PMID:16185184
PMID:16602117
PMID:16640341
PMID:16734965
PMID:17129840
PMID:17173674
PMID:17216959
PMID:17226043
PMID:17347554
PMID:17367972
PMID:17592517
PMID:18246742
PMID:18473104
PMID:18484523
PMID:18611641
PMID:18676229
PMID:18773080
PMID:18977704
PMID:19008722
PMID:19367098
PMID:19423473
PMID:19496200
PMID:19625514
PMID:19649758
PMID:21425867
PMID:29017833
Patent:GB2022090
Patent:US4327210
Reaxys:6495519
Wikipedia:Ceftriaxone
7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ceftriaxona
ceftriaxone
ceftriaxonum
rocephin
CHEBI:29007
ceftriaxone
Beilstein:6495519
Beilstein
CAS:73384-59-5
ChemIDplus
CAS:73384-59-5
KEGG COMPOUND
CAS:73384-59-5
KEGG DRUG
Drug_Central:564
DrugCentral
PMID:11067716
Europe PMC
PMID:11285492
Europe PMC
PMID:11431418
Europe PMC
PMID:11432680
Europe PMC
PMID:11529382
Europe PMC
PMID:11605716
Europe PMC
PMID:11642230
Europe PMC
PMID:11760218
Europe PMC
PMID:11815759
Europe PMC
PMID:11856984
Europe PMC
PMID:11875753
Europe PMC
PMID:11985490
Europe PMC
PMID:12146884
Europe PMC
PMID:12426628
Europe PMC
PMID:12569987
Europe PMC
PMID:12711894
Europe PMC
PMID:12797390
Europe PMC
PMID:12830336
Europe PMC
PMID:12833570
Europe PMC
PMID:12868545
Europe PMC
PMID:1384868
Europe PMC
PMID:15091234
Europe PMC
PMID:15106316
Europe PMC
PMID:15225244
Europe PMC
PMID:15499067
Europe PMC
PMID:15828439
Europe PMC
PMID:15846537
Europe PMC
PMID:15880392
Europe PMC
PMID:15886468
Europe PMC
PMID:16082406
Europe PMC
PMID:16118675
Europe PMC
PMID:16161754
Europe PMC
PMID:16185184
Europe PMC
PMID:16602117
Europe PMC
PMID:16640341
ChEMBL
PMID:16734965
Europe PMC
PMID:17129840
Europe PMC
PMID:17173674
Europe PMC
PMID:17216959
Europe PMC
PMID:17226043
Europe PMC
PMID:17347554
Europe PMC
PMID:17367972
Europe PMC
PMID:17592517
Europe PMC
PMID:18246742
Europe PMC
PMID:18473104
Europe PMC
PMID:18484523
Europe PMC
PMID:18611641
Europe PMC
PMID:18676229
Europe PMC
PMID:18773080
Europe PMC
PMID:18977704
Europe PMC
PMID:19008722
Europe PMC
PMID:19367098
Europe PMC
PMID:19423473
Europe PMC
PMID:19496200
Europe PMC
PMID:19625514
Europe PMC
PMID:19649758
Europe PMC
PMID:21425867
Europe PMC
PMID:29017833
Europe PMC
Reaxys:6495519
Reaxys
7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
ceftriaxona
ChemIDplus
ceftriaxone
KEGG_DRUG
ceftriaxonum
ChemIDplus
rocephin
ChEBI
A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum.
0
C31H48O6
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
IECPWNUMDGFDKC-MZJAQBGESA-N
516.70920
516.34509
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@@]4([H])\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]1(C)CC[C@@H](O)[C@H]2C
CHEBI:24133
CHEBI:42742
CHEBI:5201
Beilstein:2197692
Beilstein:5672885
CAS:6990-06-3
DrugBank:DB02703
Drug_Central:1261
HMDB:HMDB0015570
KEGG:C06694
KEGG:D04281
KNApSAcK:C00023903
LIPID_MAPS_instance:LMPR0106040001
MetaCyc:CPD0-1606
PDBeChem:FUA
PMID:11412963
PMID:12937375
PMID:13899435
PMID:13996455
PMID:15843024
PMID:17082187
PMID:20797618
PMID:22066960
PMID:22100514
PMID:22197537
PMID:22290345
PMID:22308410
PMID:22354299
PMID:22612900
PMID:22645663
PMID:22888356
PMID:23102978
PMID:23114758
PMID:23147726
PMID:8624493
Reaxys:2197692
VSDB:1776
Wikipedia:Fusidic_acid
(2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid
Fusidic acid
chebi_ontology
Fucidin acid
Fusidine
Ramycin
fucidic acid
CHEBI:29013
fusidic acid
Beilstein:2197692
Beilstein
Beilstein:5672885
Beilstein
CAS:6990-06-3
ChemIDplus
Drug_Central:1261
DrugCentral
LIPID_MAPS_instance:LMPR0106040001
LIPID MAPS
PMID:11412963
Europe PMC
PMID:12937375
Europe PMC
PMID:13899435
Europe PMC
PMID:13996455
Europe PMC
PMID:15843024
Europe PMC
PMID:17082187
Europe PMC
PMID:20797618
Europe PMC
PMID:22066960
Europe PMC
PMID:22100514
Europe PMC
PMID:22197537
Europe PMC
PMID:22290345
Europe PMC
PMID:22308410
Europe PMC
PMID:22354299
Europe PMC
PMID:22612900
Europe PMC
PMID:22645663
Europe PMC
PMID:22888356
Europe PMC
PMID:23102978
Europe PMC
PMID:23114758
Europe PMC
PMID:23147726
Europe PMC
PMID:8624493
Europe PMC
Reaxys:2197692
Reaxys
(2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid
IUPAC
Fusidic acid
KEGG_COMPOUND
Fucidin acid
ChemIDplus
Fusidine
ChemIDplus
Ramycin
ChemIDplus
fucidic acid
ChEBI
An ion of copper carrying a double positive charge.
+2
Cu
InChI=1S/Cu/q+2
JPVYNHNXODAKFH-UHFFFAOYSA-N
63.54600
62.92850
[Cu++]
CHEBI:20882
CHEBI:23380
CHEBI:49550
CAS:15158-11-9
Gmelin:6855
PDBeChem:CU
PMID:23900424
PMID:24168430
Reaxys:3587177
copper(2+)
copper(2+) ion
copper(II) cation
chebi_ontology
COPPER (II) ION
Cu(2+)
Cu(II)
Cu2+
copper(II) cation
copper, ion (Cu2+)
cupric ion
CHEBI:29036
copper(2+)
CAS:15158-11-9
ChemIDplus
Gmelin:6855
Gmelin
PMID:23900424
Europe PMC
PMID:24168430
Europe PMC
Reaxys:3587177
Reaxys
copper(2+)
IUPAC
copper(2+) ion
IUPAC
copper(II) cation
IUPAC
COPPER (II) ION
PDBeChem
Cu(2+)
UniProt
Cu(II)
ChEBI
Cu2+
ChEBI
copper(II) cation
ChEBI
copper, ion (Cu2+)
ChemIDplus
cupric ion
ChEBI
The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated.
-1
CO2R
44.00950
43.98983
[O-]C([*])=O
CHEBI:13626
CHEBI:13945
CHEBI:23026
CHEBI:58657
chebi_ontology
a carboxylate
carboxylic acid anions
carboxylic anions
CHEBI:29067
carboxylic acid anion
a carboxylate
UniProt
carboxylic acid anions
ChEBI
carboxylic anions
ChEBI
A monoatomic monocation obtained from sodium.
+1
Na
InChI=1S/Na/q+1
FKNQFGJONOIPTF-UHFFFAOYSA-N
22.98977
22.98922
[Na+]
CHEBI:26717
CHEBI:49766
CHEBI:9175
CAS:17341-25-2
Gmelin:15196
KEGG:C01330
PDBeChem:NA
sodium cation
sodium(1+)
sodium(1+) ion
sodium(I) cation
chebi_ontology
Na(+)
Na+
SODIUM ION
CHEBI:29101
sodium(1+)
CAS:17341-25-2
ChemIDplus
CAS:17341-25-2
NIST Chemistry WebBook
Gmelin:15196
Gmelin
sodium cation
IUPAC
sodium(1+)
IUPAC
sodium(1+) ion
IUPAC
sodium(I) cation
IUPAC
Na(+)
IUPAC
Na(+)
UniProt
Na+
KEGG_COMPOUND
SODIUM ION
PDBeChem
A monoatomic monocation obtained from potassium.
+1
K
InChI=1S/K/q+1
NPYPAHLBTDXSSS-UHFFFAOYSA-N
39.09830
38.96316
[K+]
CHEBI:26219
CHEBI:49685
CHEBI:8345
CAS:24203-36-9
Gmelin:15203
KEGG:C00238
KEGG:D08403
PDBeChem:K
potassium cation
potassium(1+)
potassium(1+) ion
potassium(I) cation
chebi_ontology
K(+)
K+
POTASSIUM ION
CHEBI:29103
potassium(1+)
CAS:24203-36-9
NIST Chemistry WebBook
Gmelin:15203
Gmelin
potassium cation
IUPAC
potassium(1+)
IUPAC
potassium(1+) ion
IUPAC
potassium(I) cation
IUPAC
K(+)
IUPAC
K(+)
UniProt
K+
KEGG_COMPOUND
POTASSIUM ION
PDBeChem
-1
HO2
InChI=1S/H2O2/c1-2/h1-2H/p-1
MHAJPDPJQMAIIY-UHFFFAOYSA-M
33.00674
32.99820
[H]O[O-]
CAS:14691-59-9
Gmelin:507
dioxidanide
hydrogen(peroxide)(1-)
hydrogendioxide(1-)
hydrogenperoxide(1-)
chebi_ontology
HO2(-)
HOO anion
HOO(-)
[HO2](-)
CHEBI:29192
hydrogenperoxide(1-)
CAS:14691-59-9
ChemIDplus
CAS:14691-59-9
NIST Chemistry WebBook
Gmelin:507
Gmelin
dioxidanide
IUPAC
hydrogen(peroxide)(1-)
IUPAC
hydrogendioxide(1-)
IUPAC
hydrogenperoxide(1-)
IUPAC
HO2(-)
IUPAC
HOO anion
NIST_Chemistry_WebBook
HOO(-)
ChEBI
[HO2](-)
ChEBI
0
H2O3S
InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)
BDHFUVZGWQCTTF-UHFFFAOYSA-N
82.08008
81.97247
[H]S(O)(=O)=O
Gmelin:1404640
hydridohydroxidodioxidosulfur
sulfonic acid
chebi_ontology
HSHO3
Sulfonsaeure
[SHO2(OH)]
acide sulfonique
sulphonic acid
CHEBI:29214
sulfonic acid
Gmelin:1404640
Gmelin
hydridohydroxidodioxidosulfur
IUPAC
sulfonic acid
IUPAC
HSHO3
IUPAC
Sulfonsaeure
ChEBI
[SHO2(OH)]
IUPAC
acide sulfonique
ChEBI
sulphonic acid
ChEBI
An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.
0
HSR
33.07300
32.97990
S[*]
CHEBI:13443
CHEBI:13696
CHEBI:17366
CHEBI:26969
CHEBI:8766
CHEBI:9556
KEGG:C00145
Wikipedia:Thiol
Thiol
thiols
chebi_ontology
Mercaptan
Merkaptan
RSH
a thiol
mercaptans
thiols
CHEBI:29256
thiol
Thiol
KEGG_COMPOUND
thiols
IUPAC
Mercaptan
KEGG_COMPOUND
Merkaptan
ChEBI
RSH
IUPAC
a thiol
UniProt
mercaptans
ChEBI
thiols
ChEBI
A monovalent inorganic anion obtained by deprotonation of phosphorous acid.
-1
H2O3P
InChI=1S/H2O3P/c1-4(2)3/h1-2H/q-1
BLBIZNCSZLTDPW-UHFFFAOYSA-N
80.98784
80.97470
[H]OP([O-])O[H]
Gmelin:558293
dihydrogen(trioxidophosphate)(1-)
dihydrogenphosphite
dihydroxidooxidophosphate(1-)
chebi_ontology
H2PO3(-)
[PO(OH)2] (-)
dihydrogen phosphite
CHEBI:29258
dihydrogenphosphite
Gmelin:558293
Gmelin
dihydrogen(trioxidophosphate)(1-)
IUPAC
dihydrogenphosphite
IUPAC
dihydroxidooxidophosphate(1-)
IUPAC
H2PO3(-)
IUPAC
[PO(OH)2] (-)
IUPAC
dihydrogen phosphite
ChEBI
A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.
-2
HO3P
InChI=1S/HO3P/c1-4(2)3/h1H/q-2
GBHRVZIGDIUCJB-UHFFFAOYSA-N
79.97990
79.96743
[H]OP([O-])[O-]
Gmelin:323302
hydrogen(trioxidophosphate)(2-)
hydrogenphosphite
hydroxidodioxidophosphate(2-)
chebi_ontology
HPO3(2-)
[PO2(OH)](2-)
hydrogen phosphite
CHEBI:29259
hydrogenphosphite
Gmelin:323302
Gmelin
hydrogen(trioxidophosphate)(2-)
IUPAC
hydrogenphosphite
IUPAC
hydroxidodioxidophosphate(2-)
IUPAC
HPO3(2-)
IUPAC
[PO2(OH)](2-)
IUPAC
hydrogen phosphite
IUPAC
-2
N2
InChI=1S/N2/c1-2/q-2
BZZJUZUZJRQHLZ-UHFFFAOYSA-N
28.01348
28.00725
[N-]=[N-]
Gmelin:1565041
diazenediide
dinitride(2-)
chebi_ontology
N2(2-)
CHEBI:29277
dinitride(2-)
Gmelin:1565041
Gmelin
diazenediide
IUPAC
dinitride(2-)
IUPAC
N2(2-)
IUPAC
CHEBI:13810
CHEBI:22325
CHEBI:2583
chebi_ontology
alkyl sulfates
CHEBI:29281
alkyl sulfate
alkyl sulfates
ChEBI
-1
H2N
InChI=1S/H2N/h1H2/q-1
HYGWNUKOUCZBND-UHFFFAOYSA-N
16.02262
16.01927
[H][N-][H]
amide
azanide
dihydridonitrate(1-)
chebi_ontology
NH2(-)
CHEBI:29337
azanide
amide
IUPAC
azanide
IUPAC
dihydridonitrate(1-)
IUPAC
NH2(-)
IUPAC
A divalent inorganic anion resulting from the removal of two protons from ammonia.
-2
HN
InChI=1S/HN/h1H/q-2
DZQYTNGKSBCIOE-UHFFFAOYSA-N
15.01468
15.01200
[N--][H]
azanediide
hydridonitrate(2-)
chebi_ontology
NH(2-)
imide
CHEBI:29340
hydridonitrate(2-)
azanediide
IUPAC
hydridonitrate(2-)
IUPAC
NH(2-)
IUPAC
imide
IUPAC
A carboxamide derived from a monocarboxylic acid.
0
CNOR3
42.01680
41.99799
[*]N([*])C([*])=O
CHEBI:13211
CHEBI:22207
CHEBI:25383
CHEBI:6977
chebi_ontology
monocarboxylic acid amides
CHEBI:29347
monocarboxylic acid amide
monocarboxylic acid amides
ChEBI
0
O2
31.99880
31.98983
O(O*)*
peroxy
chebi_ontology
-OO-
CHEBI:29369
peroxy group
peroxy
IUPAC
-OO-
IUPAC
0
C48H72O14
InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
RRZXIRBKKLTSOM-XPNPUAGNSA-N
873.07690
872.49221
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C
BPDB:8
Beilstein:3645625
CAS:65195-55-3
KEGG:C11983
LIPID_MAPS_instance:LMPK04000024
MetaCyc:CPD-12963
VSDB:8
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
Avermectin B1a
chebi_ontology
abamectin component B1a
CHEBI:29534
avermectin B1a
Beilstein:3645625
Beilstein
CAS:65195-55-3
ChemIDplus
CAS:65195-55-3
KEGG COMPOUND
LIPID_MAPS_instance:LMPK04000024
LIPID MAPS
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
IUPAC
Avermectin B1a
KEGG_COMPOUND
abamectin component B1a
ChemIDplus
0
C47H70O14
InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1
ZFUKERYTFURFGA-PVVXTEPVSA-N
859.05030
858.47656
[H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O
Beilstein:8399072
CAS:65195-56-4
KEGG:C11967
LIPID_MAPS_instance:LMPK04000020
MetaCyc:CPD-12964
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
Avermectin B1b
chebi_ontology
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
abamectin component B1b
CHEBI:29537
avermectin B1b
Beilstein:8399072
Beilstein
CAS:65195-56-4
ChemIDplus
CAS:65195-56-4
KEGG COMPOUND
LIPID_MAPS_instance:LMPK04000020
LIPID MAPS
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
IUPAC
Avermectin B1b
KEGG_COMPOUND
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
IUPAC
abamectin component B1b
ChemIDplus
A macrolide antibiotic useful for the treatment of bacterial infections.
0
C38H72N2O12
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
MQTOSJVFKKJCRP-BICOPXKESA-N
748.98450
748.50853
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEBI:46596
Beilstein:5387583
CAS:83905-01-5
DrugBank:DB00207
Drug_Central:276
HMDB:HMDB0014352
KEGG:C06838
KEGG:D07486
LINCS:LSM-5821
PDBeChem:ZIT
PMID:15143799
PMID:18253999
Patent:BE892357
Patent:US4517359
Reaxys:5387583
Reaxys:8820027
Wikipedia:Azithromycin
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
chebi_ontology
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one
Azenil
Azifast
Azigram
Azimakrol
Azitromin
Hemomycin
Zithromax
Zmax
azithromycine
azithromycinum
azitromicina
CHEBI:2955
azithromycin
Beilstein:5387583
Beilstein
CAS:83905-01-5
ChemIDplus
Drug_Central:276
DrugCentral
PMID:15143799
Europe PMC
PMID:18253999
Europe PMC
Reaxys:5387583
Reaxys
Reaxys:8820027
Reaxys
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
IUPAC
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one
ChemIDplus
Azenil
DrugBank
Azifast
ChEBI
Azigram
ChEBI
Azimakrol
ChEBI
Azitromin
ChEBI
Hemomycin
DrugBank
Zithromax
DrugBank
Zmax
DrugBank
azithromycine
ChemIDplus
azithromycinum
ChemIDplus
azitromicina
WHO_MedNet
A complex mixture of related natural products isolated from the fermentation broth of a strain of Actinoplanes teichomyceticus comprising five major components (teicoplanin A2-1 through A2-5), a hydrolysis component (teicoplanin A3-1), and four minor components (teicoplanin RS-1 through RS-4). An antibiotic with a similar spectrum of activity to vancomycin, it is used to treat serious Gram-positive bacterial infections, including methicillin-resistant Staphylococcus aureus and Enterococcus faecalis.
0
CAS:61036-62-2
DrugBank:DB06149
KEGG:C15820
KEGG:D02142
PMID:1416858
PMID:24506456
PMID:24693468
PMID:25190719
PMID:25218156
PMID:25224001
PMID:25358800
PMID:25616054
PMID:25726436
Reaxys:8196734
Wikipedia:Teicoplanin
chebi_ontology
Targocid
antibiotic 8327A
teicoplanin
teicoplanina
teicoplanine
teicoplaninum
CHEBI:29687
teicoplanin
CAS:61036-62-2
ChemIDplus
CAS:61036-62-2
KEGG DRUG
PMID:1416858
Europe PMC
PMID:24506456
Europe PMC
PMID:24693468
Europe PMC
PMID:25190719
Europe PMC
PMID:25218156
Europe PMC
PMID:25224001
Europe PMC
PMID:25358800
Europe PMC
PMID:25616054
Europe PMC
PMID:25726436
Europe PMC
Reaxys:8196734
Reaxys
Targocid
KEGG_DRUG
antibiotic 8327A
ChemIDplus
teicoplanin
ChemIDplus
teicoplanina
ChemIDplus
teicoplanine
WHO_MedNet
teicoplaninum
ChemIDplus
0
C43H65N5O10
InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29+,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
LJVAJPDWBABPEJ-MMEUOAQYSA-N
812.00390
811.47314
C[C@@]12[C@](N(C(O1)=O)CCCCN3C=C(N=C3)C=4C=CC=NC4)([C@@H](C)C(=O)[C@H](C)C[C@](OC)(C)[C@@H]([C@H](C([C@](C(O[C@@H]2CC)=O)(C)[H])=O)C)O[C@]5([C@H](O)[C@@H](N(C)C)C[C@H](O5)C)[H])[H]
CHEBI:46029
CAS:191114-48-4
Drug_Central:2581
KEGG:C12009
KEGG:D01078
PDBeChem:TEL
TELITHROMYCIN
Telithromycin
chebi_ontology
(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
HMR 3647
HMR-3647
HMR3647
RU 66647
RU-66647
RU66647
CHEBI:29688
telithromycin
CAS:191114-48-4
KEGG COMPOUND
Drug_Central:2581
DrugCentral
TELITHROMYCIN
PDBeChem
Telithromycin
KEGG_COMPOUND
(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
PDBeChem
HMR 3647
DrugCentral
HMR-3647
KEGG_COMPOUND
HMR3647
KEGG_COMPOUND
RU 66647
DrugCentral
RU-66647
KEGG_COMPOUND
RU66647
KEGG_COMPOUND
A mixture of antiviral nucleoside antibiotics produced by Streptomyces lysosuperificus. It contains at least 10 homologues comprising uracil, N-acetylglucosamine, an 11-carbon aminodialdose called tunicamine, and a fatty acid linked to the amino group of the tunicamine. The homologues vary in the composition of the fatty acid moiety.
0
C25H38N4O16
650.587
650.22828
[H][C@@](O)(C[C@H]1O[C@@H](OC2O[C@H]([*]O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC([*])=O)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
CAS:11089-65-9
KEGG:C12063
PMID:11478581
PMID:11514096
PMID:11732194
PMID:11798249
PMID:12093793
PMID:12106388
PMID:12136966
PMID:12232600
PMID:12232799
PMID:12515321
PMID:160437
PMID:1624425
PMID:3018444
PMID:315774
PMID:34700340
PMID:34979291
PMID:35233582
PMID:35370192
PMID:4624615
PMID:4630978
PMID:5103138
PMID:5103535
PMID:5168706
PMID:6153524
PMID:6813319
PMID:6975776
PMID:6992777
PMID:701277
PMID:7142115
PMID:7144800
PMID:7766032
Wikipedia:Tunicamycin
Tunicamycin
chebi_ontology
CHEBI:29699
tunicamycin
CAS:11089-65-9
ChemIDplus
CAS:11089-65-9
KEGG COMPOUND
PMID:11478581
Europe PMC
PMID:11514096
Europe PMC
PMID:11732194
Europe PMC
PMID:11798249
Europe PMC
PMID:12093793
Europe PMC
PMID:12106388
Europe PMC
PMID:12136966
Europe PMC
PMID:12232600
Europe PMC
PMID:12232799
Europe PMC
PMID:12515321
Europe PMC
PMID:160437
Europe PMC
PMID:1624425
Europe PMC
PMID:3018444
Europe PMC
PMID:315774
Europe PMC
PMID:34700340
Europe PMC
PMID:34979291
Europe PMC
PMID:35233582
Europe PMC
PMID:35370192
Europe PMC
PMID:4624615
Europe PMC
PMID:4630978
Europe PMC
PMID:5103138
Europe PMC
PMID:5103535
Europe PMC
PMID:5168706
Europe PMC
PMID:6153524
Europe PMC
PMID:6813319
Europe PMC
PMID:6975776
Europe PMC
PMID:6992777
Europe PMC
PMID:701277
Europe PMC
PMID:7142115
Europe PMC
PMID:7144800
Europe PMC
PMID:7766032
Europe PMC
Tunicamycin
KEGG_COMPOUND
A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone.
0
C23H38O5
InChI=1S/C23H38O5/c1-7-18-12-15(4)19(24)10-9-14(3)11-16(5)21(8-2)28-22(26)13-20(25)17(6)23(18)27/h9-11,15-18,20-21,23,25,27H,7-8,12-13H2,1-6H3/b10-9+,14-11+/t15-,16+,17+,18+,20-,21-,23-/m1/s1
YJSXTLYNFBFHAT-HJOMEYPASA-N
394.54480
394.27192
CC[C@H]1C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O
CHEBI:76805
CAS:74758-60-4
KEGG:C12000
MetaCyc:CPD-15948
PMID:3733529
PMID:6511663
PMID:6735923
PMID:6833128
PMID:7118724
Reaxys:5765520
(4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione
Tylactone
tylactone
chebi_ontology
20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide
20-Dsdr
20-deoxo-23-deoxytylonolide
Protylonolide
CHEBI:29700
tylactone
CAS:74758-60-4
ChemIDplus
CAS:74758-60-4
KEGG COMPOUND
MetaCyc:CPD-15948
SUBMITTER
PMID:3733529
Europe PMC
PMID:6511663
Europe PMC
PMID:6735923
Europe PMC
PMID:6833128
Europe PMC
PMID:7118724
Europe PMC
Reaxys:5765520
Reaxys
(4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione
IUPAC
Tylactone
KEGG_COMPOUND
tylactone
UniProt
20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide
ChemIDplus
20-Dsdr
ChemIDplus
20-deoxo-23-deoxytylonolide
ChemIDplus
Protylonolide
KEGG_COMPOUND
0
NO2
46.00550
45.99290
*[N+](=O)[O-]
nitro
chebi_ontology
-NO2
CHEBI:29785
nitro group
nitro
IUPAC
-NO2
IUPAC
0
HS
33.074
32.97990
*S[H]
CHEBI:26821
CHEBI:29916
sulfanyl
thiol
thiol group
chebi_ontology
-SH
HS-
Mercaptogruppe
Merkaptogruppe
Sulfhydrylgruppe
Thiolgruppe
mercapto group
sulfhydryl group
sulphydryl group
CHEBI:29917
thiol group
sulfanyl
IUPAC
thiol
IUPAC
thiol group
UniProt
-SH
IUPAC
HS-
IUPAC
Mercaptogruppe
ChEBI
Merkaptogruppe
ChEBI
Sulfhydrylgruppe
ChEBI
Thiolgruppe
ChEBI
mercapto group
ChEBI
sulfhydryl group
ChEBI
sulphydryl group
ChEBI
-1
HS
InChI=1S/H2S/h1H2/p-1
RWSOTUBLDIXVET-UHFFFAOYSA-M
33.07394
32.98044
[S-][H]
CAS:15035-72-0
Gmelin:24766
hydrogen(sulfide)(1-)
hydrosulfide
sulfanide
chebi_ontology
HS anion
HS(-)
hydrogen sulfide
CHEBI:29919
hydrosulfide
CAS:15035-72-0
ChemIDplus
CAS:15035-72-0
NIST Chemistry WebBook
Gmelin:24766
Gmelin
hydrogen(sulfide)(1-)
IUPAC
hydrosulfide
IUPAC
sulfanide
IUPAC
HS anion
NIST_Chemistry_WebBook
HS(-)
IUPAC
hydrogen sulfide
UniProt
0
HO3S
81.07214
80.96464
S(=O)(O)(*)=O
PDBeChem:SFO
SULFO GROUP
hydroxydioxo-lambda(6)-sulfanyl
hydroxysulfonyl
sulfo
chebi_ontology
-S(O)2(OH)
CHEBI:29922
sulfo group
SULFO GROUP
PDBeChem
hydroxydioxo-lambda(6)-sulfanyl
IUPAC
hydroxysulfonyl
IUPAC
sulfo
IUPAC
-S(O)2(OH)
IUPAC
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid.
-1
C2H3O2
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
QTBSBXVTEAMEQO-UHFFFAOYSA-M
59.04402
59.01385
CC([O-])=O
CHEBI:13704
CHEBI:22165
CHEBI:40480
Beilstein:1901470
CAS:71-50-1
DrugBank:DB03166
Gmelin:1379
KEGG:C00033
MetaCyc:ACET
PDBeChem:ACT
PMID:17190852
PMID:22211106
PMID:22371380
Reaxys:1901470
UM-BBD_compID:c0050
Wikipedia:Acetate
acetate
chebi_ontology
ACETATE ION
Azetat
CH3-COO(-)
Ethanoat
MeCO2 anion
acetic acid, ion(1-)
ethanoate
CHEBI:30089
acetate
Beilstein:1901470
Beilstein
CAS:71-50-1
ChemIDplus
CAS:71-50-1
NIST Chemistry WebBook
Gmelin:1379
Gmelin
PMID:17190852
Europe PMC
PMID:22211106
Europe PMC
PMID:22371380
Europe PMC
Reaxys:1901470
Reaxys
UM-BBD_compID:c0050
UM-BBD
acetate
IUPAC
acetate
UniProt
ACETATE ION
PDBeChem
Azetat
ChEBI
CH3-COO(-)
IUPAC
Ethanoat
ChEBI
MeCO2 anion
NIST_Chemistry_WebBook
acetic acid, ion(1-)
ChemIDplus
ethanoate
ChEBI
0
H2N2
InChI=1S/H2N2/c1-2/h1-2H
RAABOESOVLLHRU-UHFFFAOYSA-N
30.02936
30.02180
N=N
CAS:3618-05-1
KEGG:C05360
diazene
chebi_ontology
Diimide
HN=NH
CHEBI:30096
diazene
CAS:3618-05-1
ChemIDplus
CAS:3618-05-1
NIST Chemistry WebBook
diazene
IUPAC
Diimide
NIST_Chemistry_WebBook
HN=NH
IUPAC
-1
HN2
InChI=1S/HN2/c1-2/h1H/q-1
XSCXGOPPNHTWEF-UHFFFAOYSA-N
29.02142
29.01452
N=[N-]
diazenide
chebi_ontology
N=NH(-)
CHEBI:30103
diazenide
diazenide
IUPAC
N=NH(-)
IUPAC
0
N2
28.01348
28.00615
N(=N/*)\*
diazenediyl
chebi_ontology
-N=N-
azo
diazene-1,2-diyl
CHEBI:30106
azo group
diazenediyl
IUPAC
-N=N-
IUPAC
azo
IUPAC
diazene-1,2-diyl
IUPAC
A member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops.
0
C14H18N4O3
InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)
RIOXQFHNBCKOKP-UHFFFAOYSA-N
290.31770
290.13789
CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12
Beilstein:825455
CAS:17804-35-2
HMDB:HMDB0031767
KEGG:C10896
PMID:15813220
PMID:16903866
PMID:19049291
PMID:24693254
PMID:24782104
PMID:25045800
PMID:25104429
PMID:25145128
PPDB:66
Pesticides:benomyl
Reaxys:825455
Wikipedia:Benomyl
Benomyl
methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
chebi_ontology
1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat
1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester
1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol
Benlate
Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate
Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate
Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate
CHEBI:3015
benomyl
Beilstein:825455
Beilstein
CAS:17804-35-2
ChemIDplus
CAS:17804-35-2
KEGG COMPOUND
CAS:17804-35-2
NIST Chemistry WebBook
PMID:15813220
Europe PMC
PMID:16903866
Europe PMC
PMID:19049291
Europe PMC
PMID:24693254
Europe PMC
PMID:24782104
Europe PMC
PMID:25045800
Europe PMC
PMID:25104429
Europe PMC
PMID:25145128
Europe PMC
Pesticides:benomyl
Alan Wood's Pesticides
Reaxys:825455
Reaxys
Benomyl
KEGG_COMPOUND
methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
IUPAC
1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat
ChemIDplus
1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester
ChemIDplus
1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol
ChemIDplus
Benlate
KEGG_COMPOUND
Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate
HMDB
Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate
HMDB
Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate
HMDB
0
CS
44.07670
43.97207
S=C(*)*
carbonothioyl
thiocarbonyl
chebi_ontology
>C=S
CHEBI:30256
thiocarbonyl group
carbonothioyl
IUPAC
thiocarbonyl
IUPAC
>C=S
IUPAC
An alkane-alpha,omega-diamine in which the alkane is ethane.
0
C2H8N2
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
PIICEJLVQHRZGT-UHFFFAOYSA-N
60.09840
60.06875
NCCN
Beilstein:605263
CAS:107-15-3
Gmelin:1098
HMDB:HMDB0031225
KEGG:D01114
MetaCyc:CPD-3682
PDBeChem:EDN
PMID:21616561
PMID:3692019
PMID:7070713
Reaxys:605263
Wikipedia:Ethylenediamine
ethane-1,2-diamine
ethylenediamine
chebi_ontology
1,2-ethanediamine
en
CHEBI:30347
ethylenediamine
Beilstein:605263
Beilstein
CAS:107-15-3
ChemIDplus
CAS:107-15-3
NIST Chemistry WebBook
Gmelin:1098
Gmelin
PMID:21616561
Europe PMC
PMID:3692019
Europe PMC
PMID:7070713
Europe PMC
Reaxys:605263
Reaxys
ethane-1,2-diamine
IUPAC
ethylenediamine
IUPAC
1,2-ethanediamine
IUPAC
en
IUPAC
+2
0.00000
[*++]
CHEBI:23856
CHEBI:4665
KEGG:C00572
chebi_ontology
Divalent cation
divalent inorganic cations
monoatomic dications
CHEBI:30412
monoatomic dication
Divalent cation
KEGG_COMPOUND
divalent inorganic cations
ChEBI
monoatomic dications
ChEBI
+1
H3S
InChI=1S/H2S/h1H2/p+1
RWSOTUBLDIXVET-UHFFFAOYSA-O
35.08982
34.99500
[H][S+]([H])[H]
CAS:18155-21-0
Gmelin:307
sulfanium
sulfonium
trihydridosulfur(1+)
chebi_ontology
H3S(+)
H3S+
[SH3](+)
sulphonium
CHEBI:30488
sulfonium
CAS:18155-21-0
ChemIDplus
CAS:18155-21-0
NIST Chemistry WebBook
Gmelin:307
Gmelin
sulfanium
IUPAC
sulfonium
IUPAC
trihydridosulfur(1+)
IUPAC
H3S(+)
IUPAC
H3S+
NIST_Chemistry_WebBook
[SH3](+)
ChEBI
sulphonium
ChEBI
A compound comprising a benzene ring core carrying a carboxylic acid substituent.
0
C7H6O2
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
WPYMKLBDIGXBTP-UHFFFAOYSA-N
122.12130
122.03678
OC(=O)c1ccccc1
CHEBI:22722
CHEBI:3029
CHEBI:41051
Beilstein:636131
CAS:65-85-0
DrugBank:DB03793
Drug_Central:4664
Gmelin:2946
HMDB:HMDB0001870
KEGG:C00180
KEGG:C00539
KEGG:D00038
KNApSAcK:C00000207
LINCS:LSM-37118
MetaCyc:BENZOATE
PDBeChem:BEZ
PMID:16728954
PMID:17439666
PMID:18314336
PPDB:1475
Reaxys:636131
Wikipedia:Benzoic_Acid
YMDB:YMDB02301
BENZOIC ACID
Benzoic acid
benzoic acid
chebi_ontology
Aromatic carboxylic acid
Benzenecarboxylic acid
Benzeneformic acid
Benzenemethanoic acid
Benzoesaeure
Dracylic acid
E210
Phenylcarboxylic acid
Phenylformic acid
acide benzoique
CHEBI:30746
benzoic acid
Beilstein:636131
Beilstein
CAS:65-85-0
ChemIDplus
CAS:65-85-0
KEGG COMPOUND
CAS:65-85-0
NIST Chemistry WebBook
Drug_Central:4664
DrugCentral
Gmelin:2946
Gmelin
PMID:16728954
Europe PMC
PMID:17439666
Europe PMC
PMID:18314336
Europe PMC
Reaxys:636131
Reaxys
BENZOIC ACID
PDBeChem
Benzoic acid
KEGG_COMPOUND
benzoic acid
IUPAC
Aromatic carboxylic acid
KEGG_COMPOUND
Benzenecarboxylic acid
KEGG_COMPOUND
Benzeneformic acid
HMDB
Benzenemethanoic acid
HMDB
Benzoesaeure
ChEBI
Dracylic acid
KEGG_COMPOUND
E210
ChEBI
Phenylcarboxylic acid
HMDB
Phenylformic acid
KEGG_COMPOUND
acide benzoique
ChEBI
The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.
0
CH2O2
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
BDAGIHXWWSANSR-UHFFFAOYSA-N
46.02538
46.00548
[H]C(O)=O
CHEBI:24082
CHEBI:42460
CHEBI:5145
BPDB:1749
Beilstein:1209246
CAS:64-18-6
DrugBank:DB01942
Gmelin:1008
HMDB:HMDB0000142
KEGG:C00058
KNApSAcK:C00001182
LIPID_MAPS_instance:LMFA01010040
MetaCyc:FORMATE
PDBeChem:FMT
PMID:12591956
PMID:14637377
PMID:15811469
PMID:16120414
PMID:16185830
PMID:16222862
PMID:16230297
PMID:16445901
PMID:16465784
PMID:18034701
PMID:18397576
PMID:22080171
PMID:22280475
PMID:22304812
PMID:22385261
PMID:22447125
PMID:22483350
PMID:22499553
PMID:22540994
PMID:22606986
PMID:22622393
PMID:3946945
PMID:7361809
Patent:CN101481304
Reaxys:1209246
Wikipedia:Formic_acid
FORMIC ACID
Formic acid
formic acid
chebi_ontology
Acide formique
Ameisensaeure
H-COOH
HCO2H
HCOOH
Methanoic acid
aminic acid
bilorin
formylic acid
hydrogen carboxylic acid
methoic acid
CHEBI:30751
formic acid
Beilstein:1209246
Beilstein
CAS:64-18-6
ChemIDplus
CAS:64-18-6
KEGG COMPOUND
CAS:64-18-6
NIST Chemistry WebBook
Gmelin:1008
Gmelin
LIPID_MAPS_instance:LMFA01010040
LIPID MAPS
PMID:12591956
Europe PMC
PMID:14637377
Europe PMC
PMID:15811469
Europe PMC
PMID:16120414
Europe PMC
PMID:16185830
Europe PMC
PMID:16222862
Europe PMC
PMID:16230297
Europe PMC
PMID:16445901
Europe PMC
PMID:16465784
Europe PMC
PMID:18034701
Europe PMC
PMID:18397576
Europe PMC
PMID:22080171
Europe PMC
PMID:22280475
Europe PMC
PMID:22304812
Europe PMC
PMID:22385261
Europe PMC
PMID:22447125
Europe PMC
PMID:22483350
Europe PMC
PMID:22499553
Europe PMC
PMID:22540994
Europe PMC
PMID:22606986
Europe PMC
PMID:22622393
Europe PMC
PMID:3946945
Europe PMC
PMID:7361809
Europe PMC
Reaxys:1209246
Reaxys
FORMIC ACID
PDBeChem
Formic acid
KEGG_COMPOUND
formic acid
IUPAC
Acide formique
ChemIDplus
Ameisensaeure
ChemIDplus
H-COOH
IUPAC
HCO2H
ChEBI
HCOOH
NIST_Chemistry_WebBook
Methanoic acid
KEGG_COMPOUND
aminic acid
ChemIDplus
bilorin
ChemIDplus
formylic acid
ChemIDplus
hydrogen carboxylic acid
ChemIDplus
methoic acid
ChEBI
A monohydroxybenzoate that is the conjugate base of salicylic acid.
-1
C7H5O3
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
YGSDEFSMJLZEOE-UHFFFAOYSA-M
137.11280
137.02442
Oc1ccccc1C([O-])=O
CHEBI:15061
CHEBI:26595
Beilstein:3605209
CAS:63-36-5
Gmelin:3417
KEGG:C00805
PMID:16669002
PMID:16934829
Reaxys:3605209
UM-BBD_compID:c0043
2-hydroxybenzoate
Salicylate
salicylate
chebi_ontology
2-hydroxybenzoic acid ion(1-)
o-hydroxybenzoate
sal
CHEBI:30762
salicylate
Beilstein:3605209
Beilstein
CAS:63-36-5
ChemIDplus
Gmelin:3417
Gmelin
PMID:16669002
Europe PMC
PMID:16934829
Europe PMC
Reaxys:3605209
Reaxys
UM-BBD_compID:c0043
UM-BBD
2-hydroxybenzoate
IUPAC
Salicylate
KEGG_COMPOUND
salicylate
UniProt
2-hydroxybenzoic acid ion(1-)
ChemIDplus
o-hydroxybenzoate
ChemIDplus
sal
IUPAC
A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids.
0
C8H6O4
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
QQVIHTHCMHWDBS-UHFFFAOYSA-N
166.13084
166.02661
OC(=O)c1cccc(c1)C(O)=O
Beilstein:1909332
CAS:121-91-5
Gmelin:27618
MetaCyc:CPD0-1267
PMID:24101250
Reaxys:1909332
Wikipedia:Isophthalic_acid
benzene-1,3-dicarboxylic acid
chebi_ontology
IPA
m-benzenedicarboxylic acid
meta-benzenedicarboxylic acid
CHEBI:30802
isophthalic acid
Beilstein:1909332
Beilstein
CAS:121-91-5
ChemIDplus
CAS:121-91-5
NIST Chemistry WebBook
Gmelin:27618
Gmelin
PMID:24101250
Europe PMC
Reaxys:1909332
Reaxys
benzene-1,3-dicarboxylic acid
IUPAC
IPA
NIST_Chemistry_WebBook
m-benzenedicarboxylic acid
NIST_Chemistry_WebBook
meta-benzenedicarboxylic acid
ChEBI
-2
C8H4O4
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
QQVIHTHCMHWDBS-UHFFFAOYSA-L
164.11496
164.01206
[O-]C(=O)c1cccc(c1)C([O-])=O
Beilstein:3906186
Gmelin:328933
benzene-1,3-dicarboxylate
chebi_ontology
1,3-benzenedicarboxylate
isophthalate
CHEBI:30803
isophthalate(2-)
Beilstein:3906186
Beilstein
Gmelin:328933
Gmelin
benzene-1,3-dicarboxylate
IUPAC
1,3-benzenedicarboxylate
ChEBI
isophthalate
IUPAC
isophthalate
UniProt
A dicarboxylic acid monoanion that is the conjugate base of isophthalic acid.
-1
C8H5O4
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1
QQVIHTHCMHWDBS-UHFFFAOYSA-M
165.12290
165.01933
OC(=O)c1cccc(c1)C([O-])=O
Gmelin:1947083
MetaCyc:CPD0-1267
3-carboxybenzoate
chebi_ontology
hydrogen isophthalate
CHEBI:30804
isophthalate(1-)
Gmelin:1947083
Gmelin
3-carboxybenzoate
IUPAC
hydrogen isophthalate
IUPAC
A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.
0
HOR
17.007
17.00274
O[*]
CHEBI:13804
CHEBI:22288
CHEBI:2553
KEGG:C00069
Alcohol
alcohols
chebi_ontology
an alcohol
CHEBI:30879
alcohol
Alcohol
KEGG_COMPOUND
alcohols
IUPAC
an alcohol
UniProt
0
C6H14O6
182.172
182.07904
CHEBI:15093
CHEBI:26724
CHEBI:26726
CHEBI:33795
CHEBI:33796
CHEBI:9201
Beilstein:1721909
Gmelin:83165
Wikipedia:Sorbitol
glucitol
chebi_ontology
Sorbitol
gulitol
rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CHEBI:30911
glucitol
Beilstein:1721909
Beilstein
Gmelin:83165
Gmelin
glucitol
IUPAC
Sorbitol
KEGG_COMPOUND
gulitol
ChEBI
rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
IUPAC
-1
C8H11N2O3S
InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1
NGHVIOIJCVXTGV-ALEPSDHESA-M
215.25062
215.04959
[H][C@@]1(N)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O
CHEBI:12207
CHEBI:20704
Gmelin:604420
KEGG:C02954
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
chebi_ontology
CHEBI:30938
6-aminopenicillanate
Gmelin:604420
Gmelin
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC
A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
-1
C5H9O2
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
NQPDZGIKBAWPEJ-UHFFFAOYSA-M
101.12376
101.06080
CCCCC([O-])=O
CHEBI:14751
CHEBI:25890
Beilstein:3903735
CAS:10023-74-2
Gmelin:325619
PMID:17314444
PMID:18783570
Reaxys:3903735
pentanoate
chebi_ontology
CH3-[CH2]3-COO(-)
n-propylacetate
pentanoate
pentanoic acid, ion(1-)
CHEBI:31011
valerate
Beilstein:3903735
Beilstein
CAS:10023-74-2
ChemIDplus
Gmelin:325619
Gmelin
PMID:17314444
Europe PMC
PMID:18783570
Europe PMC
Reaxys:3903735
Reaxys
pentanoate
IUPAC
CH3-[CH2]3-COO(-)
IUPAC
n-propylacetate
ChEBI
pentanoate
UniProt
pentanoic acid, ion(1-)
ChemIDplus
A straight-chain saturated fatty acid anion that is the conjugate base of tetracosanoic acid (lignoceric acid), formed by deprotonation of the carboxy group.
-1
C24H47O2
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1
QZZGJDVWLFXDLK-UHFFFAOYSA-M
367.62880
367.35815
CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
Gmelin:373325
MetaCyc:TETRACOSANOATE
tetracosanoate
chebi_ontology
CH3-[CH2]22-COO(-)
Lignocerat
Tetracosanoat
lignocerate
n-tetracosanoate
tetracosanate
tetracosoate
tetraeicosanoate
CHEBI:31014
tetracosanoate
Gmelin:373325
Gmelin
tetracosanoate
IUPAC
tetracosanoate
UniProt
CH3-[CH2]22-COO(-)
IUPAC
Lignocerat
ChEBI
Tetracosanoat
ChEBI
lignocerate
CBN
n-tetracosanoate
ChEBI
tetracosanate
ChEBI
tetracosoate
ChEBI
tetraeicosanoate
ChEBI
A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.
0
C22H18N2
310.39170
310.14700
CAS:60628-96-8
DrugBank:DB04794
HMDB:HMDB0015583
KEGG:D01775
PMID:21746947
PMID:23066185
PMID:23283047
PMID:23467055
PMID:23586591
PMID:24215461
PMID:24849495
Reaxys:618427
Wikipedia:Bifonazole
rac-1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole
chebi_ontology
(+-)-1-(p,alpha-Diphenylbenzyl)imidazole
(+-)-bifonazole
(+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole
(RS)-bifonazole
1-((4-Biphenylyl)phenylmethyl)-1H-imidazole
1-(alpha-(4-Biphenylyl)benzyl)imidazole
Mycospor
bifonazol
bifonazole
bifonazolum
rac-bifonazole
racemic bifonazole
CHEBI:31286
bifonazole
CAS:60628-96-8
ChemIDplus
CAS:60628-96-8
KEGG DRUG
PMID:21746947
Europe PMC
PMID:23066185
Europe PMC
PMID:23283047
Europe PMC
PMID:23467055
Europe PMC
PMID:23586591
Europe PMC
PMID:24215461
Europe PMC
PMID:24849495
Europe PMC
Reaxys:618427
Reaxys
rac-1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole
IUPAC
(+-)-1-(p,alpha-Diphenylbenzyl)imidazole
ChemIDplus
(+-)-bifonazole
ChEBI
(+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole
DrugBank
(RS)-bifonazole
ChEBI
1-((4-Biphenylyl)phenylmethyl)-1H-imidazole
DrugBank
1-(alpha-(4-Biphenylyl)benzyl)imidazole
ChemIDplus
Mycospor
KEGG_DRUG
bifonazol
DrugBank
bifonazole
KEGG_DRUG
bifonazole
WHO_MedNet
bifonazolum
DrugBank
rac-bifonazole
ChEBI
racemic bifonazole
ChEBI
Any organic amino compound that is a derivative of ethylenediamine.
chebi_ontology
ethylenediamine derivatives
CHEBI:31577
ethylenediamine derivative
ethylenediamine derivatives
ChEBI
0
C53H85NO20
InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1
IKYMLQOHQLVORI-PLAPNZKPSA-N
1056.250
1055.56649
[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](OC3C[C@@H](O)[C@@H](O)[C@H](C)O3)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
CAS:62997-67-5
HMDB:HMDB0242303
KEGG:C12156
LIPID_MAPS_instance:LMPK06000005
PMID:15504830
PMID:27803316
PMID:3182406
PMID:468732
(1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[(2,6-dideoxy-L-ribo-hexopyranosyl)oxy]-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
nystatin A3
chebi_ontology
CHEBI:31927
nystatin A3
CAS:62997-67-5
ChemIDplus
LIPID_MAPS_instance:LMPK06000005
LIPID MAPS
PMID:15504830
Europe PMC
PMID:27803316
Europe PMC
PMID:3182406
Europe PMC
PMID:468732
Europe PMC
(1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[(2,6-dideoxy-L-ribo-hexopyranosyl)oxy]-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
IUPAC
nystatin A3
KEGG_COMPOUND
0
C9H12N2S
InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
VRDIULHPQTYCLN-UHFFFAOYSA-N
180.271
180.07212
CCCC1=NC=CC(=C1)C(=S)N
CHEBI:93717
CAS:14222-60-7
Drug_Central:2314
KEGG:D01195
LINCS:LSM-4210
Prothionamide
prothionamide
chebi_ontology
2-Propylisonicotinylthioamide
2-Propylthioisonicotinamide
protionamid
CHEBI:32066
Prothionamide
CAS:14222-60-7
DrugCentral
CAS:14222-60-7
KEGG COMPOUND
Drug_Central:2314
DrugCentral
Prothionamide
KEGG_COMPOUND
prothionamide
DrugCentral
2-Propylisonicotinylthioamide
DrugCentral
2-Propylthioisonicotinamide
DrugCentral
protionamid
DrugCentral
0
2C21H39N7O12.3H2O4S
C42H84N14O36S3
InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1
QTENRWWVYAAPBI-YCRXJPFRSA-N
1457.389
1456.43348
OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC
BPDB:2472
CAS:3810-74-0
KEGG:D01350
Streptomycin sulfate
chebi_ontology
CHEBI:32158
streptomycin sulfate
CAS:3810-74-0
KEGG COMPOUND
Streptomycin sulfate
KEGG_COMPOUND
A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.
0
C12H14N4O4S
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
ZZORFUFYDOWNEF-UHFFFAOYSA-N
310.33012
310.07358
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
Beilstein:306856
CAS:122-11-2
DrugBank:DB06150
Drug_Central:2501
Gmelin:677830
HMDB:HMDB0015621
KEGG:D01142
LINCS:LSM-5790
PMID:11431418
PMID:12038137
PMID:13831481
PMID:13840927
PMID:14435331
PMID:14437387
PMID:16001847
PMID:16390193
PMID:18574183
PMID:19927815
Reaxys:306856
VSDB:1833
Wikipedia:Sulfadimethoxine
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Sulfadimethoxine
chebi_ontology
2,4-dimethoxy-6-sulfanilamido-1,3-diazine
2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine
2,6-dimethoxy-4-sulfanilamidopyrimidine
4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
6-sulfanilamido-2,4-dimethoxypyrimidine
Abcid (TN)
Agribon (TN)
N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide
Sulfadimethoxydiazine
Sulphadimethoxine
sulfadimethoxinum
sulfadimetoxina
CHEBI:32161
sulfadimethoxine
Beilstein:306856
Beilstein
CAS:122-11-2
ChemIDplus
CAS:122-11-2
KEGG DRUG
Drug_Central:2501
DrugCentral
Gmelin:677830
Gmelin
PMID:11431418
Europe PMC
PMID:12038137
Europe PMC
PMID:13831481
Europe PMC
PMID:13840927
Europe PMC
PMID:14435331
Europe PMC
PMID:14437387
Europe PMC
PMID:16001847
Europe PMC
PMID:16390193
Europe PMC
PMID:18574183
Europe PMC
PMID:19927815
Europe PMC
Reaxys:306856
Reaxys
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
IUPAC
Sulfadimethoxine
KEGG_DRUG
2,4-dimethoxy-6-sulfanilamido-1,3-diazine
ChemIDplus
2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine
ChemIDplus
2,6-dimethoxy-4-sulfanilamidopyrimidine
ChemIDplus
4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide
ChemIDplus
6-sulfanilamido-2,4-dimethoxypyrimidine
ChemIDplus
Abcid (TN)
KEGG_DRUG
Agribon (TN)
KEGG_DRUG
N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide
ChemIDplus
Sulfadimethoxydiazine
ChemIDplus
Sulphadimethoxine
ChemIDplus
sulfadimethoxinum
ChemIDplus
sulfadimetoxina
ChemIDplus
A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
-1
C6H4NO2
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1
PVNIIMVLHYAWGP-UHFFFAOYSA-M
122.10150
122.02475
[O-]C(=O)c1cccnc1
CHEBI:14650
CHEBI:22851
CHEBI:25530
Beilstein:3539722
Gmelin:327384
KEGG:C00253
MetaCyc:NIACINE
PMID:17190852
PMID:21742010
PMID:21953179
Reaxys:3539722
nicotinate
pyridine-3-carboxylate
chebi_ontology
3-pyridinecarboxylate
CHEBI:32544
nicotinate
Beilstein:3539722
Beilstein
Gmelin:327384
Gmelin
PMID:17190852
Europe PMC
PMID:21742010
Europe PMC
PMID:21953179
Europe PMC
Reaxys:3539722
Reaxys
nicotinate
UniProt
pyridine-3-carboxylate
IUPAC
3-pyridinecarboxylate
ChEBI
A metal chloride salt with a K(+) counterion.
0
ClK
InChI=1S/ClH.K/h1H;/q;+1/p-1
WCUXLLCKKVVCTQ-UHFFFAOYSA-M
74.55100
73.93256
[Cl-].[K+]
CAS:7447-40-7
DrugBank:DB00761
KEGG:D02060
MetaCyc:KCL
MolBase:881
Reaxys:3534978
Wikipedia:Potassium_Chloride
potassium chloride
chebi_ontology
KCl
Kaliumchlorid
Kaon-Cl 10
Klor-con
Klotrix
Monopotassium chloride
[KCl]
muriate of potash
sylvite
CHEBI:32588
potassium chloride
CAS:7447-40-7
ChemIDplus
CAS:7447-40-7
NIST Chemistry WebBook
Reaxys:3534978
Reaxys
potassium chloride
IUPAC
KCl
IUPAC
Kaliumchlorid
ChEBI
Kaon-Cl 10
KEGG_DRUG
Klor-con
KEGG_DRUG
Klotrix
KEGG_DRUG
Monopotassium chloride
DrugBank
[KCl]
MolBase
muriate of potash
NIST_Chemistry_WebBook
sylvite
ChEBI
An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement.
0
C18H12
InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
IFLREYGFSNHWGE-UHFFFAOYSA-N
228.28788
228.09390
c1ccc2cc3cc4ccccc4cc3cc2c1
Beilstein:1909299
CAS:92-24-0
Gmelin:306993
PMID:11493061
PMID:24655187
Reaxys:1909299
Wikipedia:Tetracene
tetracene
chebi_ontology
2,3-benzanthracene
benz[b]anthracene
naphthacene
CHEBI:32600
tetracene
Beilstein:1909299
Beilstein
CAS:92-24-0
ChemIDplus
CAS:92-24-0
NIST Chemistry WebBook
Gmelin:306993
Gmelin
PMID:11493061
Europe PMC
PMID:24655187
Europe PMC
Reaxys:1909299
Reaxys
tetracene
IUPAC
2,3-benzanthracene
NIST_Chemistry_WebBook
benz[b]anthracene
NIST_Chemistry_WebBook
naphthacene
IUPAC
An alpha-amino-acid anion that is the conjugate base of serine.
-1
C3H6NO3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1
MTCFGRXMJLQNBG-UHFFFAOYSA-M
104.08468
104.03532
NC(CO)C([O-])=O
Gmelin:324692
serinate
chebi_ontology
2-amino-3-hydroxypropanoate
serine anion
CHEBI:32845
serinate
Gmelin:324692
Gmelin
serinate
IUPAC
2-amino-3-hydroxypropanoate
IUPAC
serine anion
JCBN
An alpha-amino-acid cation that is the conjugate acid of serine.
+1
C3H8NO3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1
MTCFGRXMJLQNBG-UHFFFAOYSA-O
106.10056
106.04987
[NH3+]C(CO)C(O)=O
Gmelin:1925675
serinium
chebi_ontology
1-carboxy-2-hydroxyethanaminium
serine cation
CHEBI:32846
serinium
Gmelin:1925675
Gmelin
serinium
IUPAC
1-carboxy-2-hydroxyethanaminium
IUPAC
serine cation
JCBN
An optically active form of prolinate having L-configuration.
-1
C5H8NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m0/s1
ONIBWKKTOPOVIA-BYPYZUCNSA-M
114.12250
114.05605
[O-]C(=O)[C@@H]1CCCN1
Beilstein:4307988
Gmelin:82610
Reaxys:4307988
L-prolinate
chebi_ontology
(2S)-pyrrolidine-2-carboxylate
L-proline anion
CHEBI:32862
L-prolinate
Beilstein:4307988
Beilstein
Gmelin:82610
Gmelin
Reaxys:4307988
Reaxys
L-prolinate
IUPAC
(2S)-pyrrolidine-2-carboxylate
IUPAC
L-proline anion
JCBN
A compound formally derived from ammonia by replacing two hydrogen atoms by hydrocarbyl groups.
0
HNR2
15.01460
15.01090
[H]N([*])[*]
CHEBI:26618
CHEBI:9078
KEGG:C02324
Secondary amine
secondary amines
chebi_ontology
R2NH
sekundaeres Amin
CHEBI:32863
secondary amine
Secondary amine
KEGG_COMPOUND
secondary amines
IUPAC
R2NH
IUPAC
sekundaeres Amin
ChEBI
An optically active form of prolinium having L-configuration.
+1
C5H10NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1
ONIBWKKTOPOVIA-BYPYZUCNSA-O
116.13840
116.07060
OC(=O)[C@@H]1CCC[NH2+]1
Gmelin:363493
L-prolinium
chebi_ontology
(2S)-2-carboxypyrrolidinium
L-proline cation
CHEBI:32864
L-prolinium
Gmelin:363493
Gmelin
L-prolinium
IUPAC
(2S)-2-carboxypyrrolidinium
IUPAC
L-proline cation
JCBN
An optically active form of prolinate having D-configuration.
-1
C5H8NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1
ONIBWKKTOPOVIA-SCSAIBSYSA-M
114.12250
114.05605
[O-]C(=O)[C@H]1CCCN1
Gmelin:533350
D-prolinate
chebi_ontology
(2R)-pyrrolidine-2-carboxylate
D-proline anion
CHEBI:32867
D-prolinate
Gmelin:533350
Gmelin
D-prolinate
IUPAC
(2R)-pyrrolidine-2-carboxylate
IUPAC
D-proline anion
JCBN
An optically active form of prolinium having D-configuration.
+1
C5H10NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m1/s1
ONIBWKKTOPOVIA-SCSAIBSYSA-O
116.13840
116.07060
OC(=O)[C@H]1CCC[NH2+]1
Gmelin:363492
D-prolinium
chebi_ontology
(2R)-2-carboxypyrrolidinium
D-proline cation
CHEBI:32868
D-prolinium
Gmelin:363492
Gmelin
D-prolinium
IUPAC
(2R)-2-carboxypyrrolidinium
IUPAC
D-proline cation
JCBN
An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group.
-1
C5H8NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1
ONIBWKKTOPOVIA-UHFFFAOYSA-M
114.12256
114.05605
[O-]C(=O)C1CCCN1
Beilstein:5387795
Gmelin:50151
Reaxys:5387795
prolinate
chebi_ontology
pro(-)
proline anion
pyrrolidine-2-carboxylate
CHEBI:32871
prolinate
Beilstein:5387795
Beilstein
Gmelin:50151
Gmelin
Reaxys:5387795
Reaxys
prolinate
IUPAC
pro(-)
IUPAC
proline anion
JCBN
pyrrolidine-2-carboxylate
IUPAC
An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group.
+1
C5H10NO2
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1
ONIBWKKTOPOVIA-UHFFFAOYSA-O
116.13840
116.07060
OC(=O)C1CCC[NH2+]1
prolinium
chebi_ontology
2-carboxypyrrolidinium
H2pro(+)
proline cation
CHEBI:32872
prolinium
prolinium
IUPAC
2-carboxypyrrolidinium
IUPAC
H2pro(+)
IUPAC
proline cation
JCBN
A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups.
0
NR3
14.00670
14.00307
[*]N([*])[*]
CHEBI:26879
CHEBI:9458
KEGG:C02196
Tertiary amine
tertiary amines
chebi_ontology
R3N
tertiaeres Amin
CHEBI:32876
tertiary amine
Tertiary amine
KEGG_COMPOUND
tertiary amines
IUPAC
R3N
IUPAC
tertiaeres Amin
ChEBI
A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group.
0
H2NR
16.02260
16.01872
N[*]
CHEBI:26263
CHEBI:26265
CHEBI:8407
CHEBI:8409
KEGG:C00375
KEGG:C00893
KEGG:C02580
Primary amine
primary amines
chebi_ontology
Primary monoamine
R-NH2
RCH2NH2
primaeres Amin
CHEBI:32877
primary amine
Primary amine
KEGG_COMPOUND
primary amines
IUPAC
Primary monoamine
KEGG_COMPOUND
R-NH2
IUPAC
RCH2NH2
KEGG_COMPOUND
primaeres Amin
ChEBI
A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups.
CHEBI:13814
CHEBI:22474
CHEBI:2641
KEGG:C00706
Amine
amines
chebi_ontology
Amin
Substituted amine
CHEBI:32952
amine
Amine
KEGG_COMPOUND
amines
IUPAC
Amin
ChEBI
Substituted amine
KEGG_COMPOUND
Any cyclic ether in which the oxygen atom forms part of a 3-membered ring.
0
C2OR4
40.02080
39.99491
[*]C1([*])OC1([*])[*]
CHEBI:13828
CHEBI:23930
CHEBI:4812
KEGG:C00722
PMID:10891060
Wikipedia:Epoxide
Epoxide
epoxides
chebi_ontology
Alkene oxide
Olefin oxide
an epoxide
epoxides
CHEBI:32955
epoxide
PMID:10891060
Europe PMC
Epoxide
KEGG_COMPOUND
epoxides
IUPAC
Alkene oxide
KEGG_COMPOUND
Olefin oxide
KEGG_COMPOUND
an epoxide
UniProt
epoxides
ChEBI
-1
C5H11N2O2
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p-1
AHLPHDHHMVZTML-UHFFFAOYSA-M
131.15312
131.08260
NCCCC(N)C([O-])=O
CHEBI:11448
CHEBI:19370
Gmelin:1242186
2,5-diaminopentanoate
ornithinate
chebi_ontology
ornithine anion
CHEBI:32964
ornithinate
Gmelin:1242186
Gmelin
2,5-diaminopentanoate
IUPAC
ornithinate
IUPAC
ornithine anion
JCBN
An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
CHEBI:22473
CHEBI:2633
KEGG:C00241
Amide
amides
chebi_ontology
CHEBI:32988
amide
Amide
KEGG_COMPOUND
amides
IUPAC
-1
C7H5N2
InChI=1S/C7H5N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H/q-1
KLTWGRFNJPLFDA-UHFFFAOYSA-N
117.12808
117.04582
c1ccc2[n-]cnc2c1
Beilstein:3904522
Gmelin:326519
benzimidazol-1-ide
chebi_ontology
bim
bzim
CHEBI:33173
benzimidazolide
Beilstein:3904522
Beilstein
Gmelin:326519
Gmelin
benzimidazol-1-ide
IUPAC
bim
IUPAC
bzim
IUPAC
A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines.
CHEBI:10004
CHEBI:27305
Wikipedia:Vitamin
chebi_ontology
vitamin
vitamina
vitaminas
vitamine
vitamines
vitamins
vitaminum
CHEBI:33229
vitamin (role)
vitamin
ChEBI
vitamina
ChEBI
vitaminas
ChEBI
vitamine
ChEBI
vitamines
ChEBI
vitamins
ChEBI
vitaminum
ChEBI
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
chebi_ontology
antitubercular
antitubercular agents
antitubercular drug
antitubercular drugs
tuberculostatic agent
CHEBI:33231
antitubercular agent
antitubercular
ChEBI
antitubercular agents
ChEBI
antitubercular drug
ChEBI
antitubercular drugs
ChEBI
tuberculostatic agent
ChEBI
Intended use of the molecular entity or part thereof by humans.
chebi_ontology
CHEBI:33232
application
A particle not known to have substructure.
elementary particle
chebi_ontology
elementary particles
CHEBI:33233
fundamental particle
elementary particle
IUPAC
elementary particles
ChEBI
A monoatomic entity is a molecular entity consisting of a single atom.
chebi_ontology
atomic entity
monoatomic entities
CHEBI:33238
monoatomic entity
atomic entity
ChEBI
monoatomic entities
ChEBI
An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands).
coordination entities
coordination entity
chebi_ontology
coordination compounds
CHEBI:33240
coordination entity
coordination entities
IUPAC
coordination entity
IUPAC
coordination compounds
ChEBI
chebi_ontology
oxoacid derivatives
CHEBI:33241
oxoacid derivative
oxoacid derivatives
ChEBI
chebi_ontology
inorganic hydrides
CHEBI:33242
inorganic hydride
inorganic hydrides
ChEBI
An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system.
chebi_ontology
organic fundamental parents
organic parent hydrides
CHEBI:33245
organic fundamental parent
organic fundamental parents
ChEBI
organic parent hydrides
ChEBI
Any substituent group which does not contain carbon.
chebi_ontology
inorganic groups
CHEBI:33246
inorganic group
inorganic groups
ChEBI
Any substituent group or skeleton containing carbon.
chebi_ontology
organic groups
CHEBI:33247
organic group
organic groups
ChEBI
A univalent group formed by removing a hydrogen atom from a hydrocarbon.
hydrocarbyl group
hydrocarbyl groups
chebi_ontology
groupe hydrocarbyle
grupo hidrocarbilo
grupos hidrocarbilo
CHEBI:33248
hydrocarbyl group
hydrocarbyl group
IUPAC
hydrocarbyl groups
IUPAC
groupe hydrocarbyle
IUPAC
grupo hidrocarbilo
IUPAC
grupos hidrocarbilo
IUPAC
Any organic substituent group, regardless of functional type, having one free valence at a carbon atom.
organyl group
organyl groups
chebi_ontology
groupe organyle
grupo organilo
grupos organilo
CHEBI:33249
organyl group
organyl group
IUPAC
organyl groups
IUPAC
groupe organyle
IUPAC
grupo organilo
IUPAC
grupos organilo
IUPAC
A chemical entity constituting the smallest component of an element having the chemical properties of the element.
CHEBI:22671
CHEBI:23907
atom
chebi_ontology
atome
atomo
atoms
atomus
element
elements
CHEBI:33250
atom
atom
IUPAC
atome
IUPAC
atomo
IUPAC
atoms
ChEBI
atomus
ChEBI
element
ChEBI
elements
ChEBI
A nucleus is the positively charged central portion of an atom, excluding the orbital electrons.
nucleus
chebi_ontology
Atomkern
Kern
noyau
noyau atomique
nuclei
nucleo
nucleo atomico
nucleus atomi
CHEBI:33252
atomic nucleus
nucleus
IUPAC
Atomkern
ChEBI
Kern
ChEBI
noyau
IUPAC
noyau atomique
ChEBI
nuclei
ChEBI
nucleo
IUPAC
nucleo atomico
ChEBI
nucleus atomi
ChEBI
Heavy nuclear particle: proton or neutron.
nucleon
chebi_ontology
Nukleon
Nukleonen
nucleons
CHEBI:33253
nucleon
nucleon
IUPAC
nucleon
IUPAC
Nukleon
ChEBI
Nukleonen
ChEBI
nucleons
ChEBI
A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
primary amide
primary amides
chebi_ontology
CHEBI:33256
primary amide
primary amide
IUPAC
primary amides
IUPAC
A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group.
secondary amide
secondary amides
chebi_ontology
CHEBI:33257
secondary amide
secondary amide
IUPAC
secondary amides
IUPAC
A molecular entity all atoms of which have the same atomic number.
chebi_ontology
homoatomic entity
homoatomic molecular entities
homoatomic molecular entity
CHEBI:33259
elemental molecular entity
homoatomic entity
ChEBI
homoatomic molecular entities
ChEBI
homoatomic molecular entity
ChEBI
An organosulfur compound is a compound containing at least one carbon-sulfur bond.
CHEBI:23010
CHEBI:25714
Wikipedia:Organosulfur_compounds
organosulfur compound
chebi_ontology
organosulfur compounds
CHEBI:33261
organosulfur compound
organosulfur compound
ChEBI
organosulfur compounds
ChEBI
0
N2
28.013
28.00615
chebi_ontology
CHEBI:33266
diatomic nitrogen
chebi_ontology
CHEBI:33267
elemental nitrogen
An anion consisting of more than one atom.
chebi_ontology
polyatomic anions
CHEBI:33273
polyatomic anion
polyatomic anions
ChEBI
chebi_ontology
chemical messenger
CHEBI:33280
molecular messenger
chemical messenger
ChEBI
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
CHEBI:22582
PMID:12964249
PMID:22117953
PMID:22439833
PMID:22849268
PMID:22849276
PMID:22958833
chebi_ontology
Antibiotika
Antibiotikum
antibiotic
antibiotics
antibiotique
antimicrobial
antimicrobial agents
antimicrobials
microbicide
microbicides
CHEBI:33281
antimicrobial agent
PMID:12964249
Europe PMC
PMID:22117953
Europe PMC
PMID:22439833
Europe PMC
PMID:22849268
Europe PMC
PMID:22849276
Europe PMC
PMID:22958833
Europe PMC
Antibiotika
ChEBI
Antibiotikum
ChEBI
antibiotic
ChEBI
antibiotics
ChEBI
antibiotique
IUPAC
antimicrobial
ChEBI
antimicrobial agents
ChEBI
antimicrobials
ChEBI
microbicide
ChEBI
microbicides
ChEBI
A substance (or active part thereof) that kills or slows the growth of bacteria.
chebi_ontology
antibacterial agents
antibacterials
bactericide
bactericides
CHEBI:33282
antibacterial agent
antibacterial agents
ChEBI
antibacterials
ChEBI
bactericide
ChEBI
bactericides
ChEBI
A nutrient is a food component that an organism uses to survive and grow.
chebi_ontology
nutrients
CHEBI:33284
nutrient
nutrients
ChEBI
A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.
chebi_ontology
heteroorganic entities
organoelement compounds
CHEBI:33285
heteroorganic entity
heteroorganic entities
ChEBI
organoelement compounds
ChEBI
An agrochemical is a substance that is used in agriculture or horticulture.
Wikipedia:Agrochemical
chebi_ontology
agrichemical
agrichemicals
agricultural chemicals
agrochemicals
CHEBI:33286
agrochemical
agrichemical
ChEBI
agrichemicals
ChEBI
agricultural chemicals
ChEBI
agrochemicals
ChEBI
A fertilizer is any substance that is added to soil or water to assist the growth of plants.
chebi_ontology
fertiliser
fertilizers
CHEBI:33287
fertilizer
fertiliser
ChEBI
fertilizers
ChEBI
An energy-rich substance that can be transformed with release of usable energy.
chebi_ontology
CHEBI:33292
fuel
A molecular entity containing one or more atoms of an alkali metal.
chebi_ontology
alkali metal molecular entities
CHEBI:33296
alkali metal molecular entity
alkali metal molecular entities
ChEBI
Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth.
pnictogens
chebi_ontology
group 15 elements
group V elements
nitrogenoideos
nitrogenoides
pnictogene
pnictogenes
CHEBI:33300
pnictogen
pnictogens
IUPAC
group 15 elements
ChEBI
group V elements
ChEBI
nitrogenoideos
ChEBI
nitrogenoides
ChEBI
pnictogene
ChEBI
pnictogenes
ChEBI
A p-block molecular entity containing any pnictogen.
pnictogen molecular entity
chebi_ontology
pnictogen molecular entities
CHEBI:33302
pnictogen molecular entity
pnictogen molecular entity
ChEBI
pnictogen molecular entities
ChEBI
Any p-block element belonging to the group 16 family of the periodic table.
PMID:17084588
chalcogen
chalcogens
chebi_ontology
Chalkogen
Chalkogene
anfigeno
anfigenos
calcogeno
calcogenos
chalcogene
chalcogenes
group 16 elements
group VI elements
CHEBI:33303
chalcogen
PMID:17084588
Europe PMC
chalcogen
IUPAC
chalcogens
IUPAC
Chalkogen
ChEBI
Chalkogene
ChEBI
anfigeno
ChEBI
anfigenos
ChEBI
calcogeno
ChEBI
calcogenos
ChEBI
chalcogene
ChEBI
chalcogenes
ChEBI
group 16 elements
ChEBI
group VI elements
ChEBI
Any p-block molecular entity containing a chalcogen.
chalcogen molecular entity
chebi_ontology
chalcogen compounds
chalcogen molecular entities
CHEBI:33304
chalcogen molecular entity
chalcogen molecular entity
ChEBI
chalcogen compounds
ChEBI
chalcogen molecular entities
ChEBI
group 14 elements
chebi_ontology
carbon group element
carbon group elements
carbonoides
cristallogene
cristallogenes
group IV elements
CHEBI:33306
carbon group element atom
group 14 elements
IUPAC
carbon group element
ChEBI
carbon group elements
ChEBI
carbonoides
ChEBI
cristallogene
ChEBI
cristallogenes
ChEBI
group IV elements
ChEBI
An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
0
CO2R2
44.010
43.98983
[*]C(=O)O[*]
CHEBI:13204
CHEBI:23028
CHEBI:3408
KEGG:C02391
Wikipedia:Ester
Carboxylic ester
carboxylic esters
chebi_ontology
a carboxylic ester
carboxylic acid esters
CHEBI:33308
carboxylic ester
Carboxylic ester
KEGG_COMPOUND
carboxylic esters
IUPAC
a carboxylic ester
UniProt
carboxylic acid esters
ChEBI
An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table.
main group elements
chebi_ontology
Hauptgruppenelement
Hauptgruppenelemente
main group element
CHEBI:33318
main group element atom
main group elements
IUPAC
Hauptgruppenelement
ChEBI
Hauptgruppenelemente
ChEBI
main group element
ChEBI
A group derived from an arene by removal of a hydrogen atom from a ring carbon atom.
aryl groups
chebi_ontology
Arylgruppe
groupe aryle
grupos arilo
CHEBI:33338
aryl group
aryl groups
IUPAC
Arylgruppe
ChEBI
groupe aryle
IUPAC
grupos arilo
IUPAC
group 12 elements
chebi_ontology
zinc group element
zinc group elements
CHEBI:33340
zinc group element atom
group 12 elements
IUPAC
zinc group element
ChEBI
zinc group elements
ChEBI
group 7 elements
chebi_ontology
manganese group element
manganese group elements
CHEBI:33352
manganese group element atom
group 7 elements
IUPAC
manganese group element
ChEBI
manganese group elements
ChEBI
group 11 elements
chebi_ontology
coinage metals
copper group element
copper group elements
CHEBI:33366
copper group element atom
group 11 elements
IUPAC
coinage metals
ChEBI
copper group element
ChEBI
copper group elements
ChEBI
chebi_ontology
oxoacids of sulfur
sulfur oxoacids
CHEBI:33402
sulfur oxoacid
oxoacids of sulfur
ChEBI
sulfur oxoacids
ChEBI
A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).
hydracid
chebi_ontology
hydracids
CHEBI:33405
hydracid
hydracid
IUPAC
hydracids
ChEBI
chebi_ontology
pnictogen oxoacids
CHEBI:33408
pnictogen oxoacid
pnictogen oxoacids
ChEBI
sulfur oxoacid derivative
chebi_ontology
sulfur oxoacid derivatives
CHEBI:33424
sulfur oxoacid derivative
sulfur oxoacid derivative
ChEBI
sulfur oxoacid derivatives
ChEBI
-1
0.00000
[*-]
chebi_ontology
monoatomic monoanions
CHEBI:33429
monoatomic monoanion
monoatomic monoanions
ChEBI
chebi_ontology
CHEBI:33431
elemental chlorine
0
Cl
35.453
34.96885
chebi_ontology
atomic chlorine
CHEBI:33432
monoatomic chlorine
atomic chlorine
ChEBI
chebi_ontology
monoatomic halogens
CHEBI:33433
monoatomic halogen
monoatomic halogens
ChEBI
elemental halogen
chebi_ontology
elemental halogens
CHEBI:33434
elemental halogen
elemental halogen
ChEBI
elemental halogens
ChEBI
Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid.
CHEBI:15132
CHEBI:25406
CHEBI:26086
CHEBI:9320
KEGG:C00934
PMID:18186488
phospho sugar
chebi_ontology
monosaccharide phosphates
phospho sugars
phosphorylated sugar
phosphorylated sugars
phosphosugar
phosphosugars
CHEBI:33447
phospho sugar
PMID:18186488
Europe PMC
phospho sugar
ChEBI
monosaccharide phosphates
ChEBI
phospho sugars
ChEBI
phosphorylated sugar
ChEBI
phosphorylated sugars
ChEBI
phosphosugar
ChEBI
phosphosugars
ChEBI
A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons.
phosphorus oxoacid
chebi_ontology
Oxosaeure des Phosphors
oxoacids of phosphorus
phosphorus oxoacids
CHEBI:33457
phosphorus oxoacid
phosphorus oxoacid
ChEBI
Oxosaeure des Phosphors
ChEBI
oxoacids of phosphorus
ChEBI
phosphorus oxoacids
ChEBI
pnictogen oxoanion
chebi_ontology
pnictogen oxoanions
CHEBI:33459
pnictogen oxoanion
pnictogen oxoanion
ChEBI
pnictogen oxoanions
ChEBI
phosphorus oxoanion
chebi_ontology
oxoanions of phosphorus
phosphorus oxoanions
CHEBI:33461
phosphorus oxoanion
phosphorus oxoanion
ChEBI
oxoanions of phosphorus
ChEBI
phosphorus oxoanions
ChEBI
A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid.
-1
H2O3P
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1
ABLZXFCXXLZCGV-UHFFFAOYSA-M
80.987
80.97470
[H]P([O-])(O[H])=O
PDBeChem:78T
hydridohydroxidodioxidophosphate(1-)
hydrogen phosphonate
chebi_ontology
[PHO2(OH)](-)
hydrogenphosphonate
CHEBI:33462
phosphonate(1-)
hydridohydroxidodioxidophosphate(1-)
IUPAC
hydrogen phosphonate
IUPAC
[PHO2(OH)](-)
IUPAC
hydrogenphosphonate
IUPAC
elemental pnictogen
chebi_ontology
elemental pnictogens
CHEBI:33465
elemental pnictogen
elemental pnictogen
ChEBI
elemental pnictogens
ChEBI
sulfur oxoanion
chebi_ontology
oxoanions of sulfur
sulfur oxoanions
CHEBI:33482
sulfur oxoanion
sulfur oxoanion
ChEBI
oxoanions of sulfur
ChEBI
sulfur oxoanions
ChEBI
chalcogen oxoacid
chebi_ontology
chalcogen oxoacids
CHEBI:33484
chalcogen oxoacid
chalcogen oxoacid
ChEBI
chalcogen oxoacids
ChEBI
chalcogen oxoanion
chebi_ontology
chalcogen oxoanions
CHEBI:33485
chalcogen oxoanion
chalcogen oxoanion
ChEBI
chalcogen oxoanions
ChEBI
A molecular entity containing one or more atoms of a transition element.
chebi_ontology
transition element molecular entities
transition metal molecular entity
CHEBI:33497
transition element molecular entity
transition element molecular entities
ChEBI
transition metal molecular entity
ChEBI
chebi_ontology
alkali metal cations
CHEBI:33504
alkali metal cation
alkali metal cations
ChEBI
chebi_ontology
transition element cations
transition metal cation
CHEBI:33515
transition element cation
transition element cations
ChEBI
transition metal cation
ChEBI
An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity.
CHEBI:25217
CHEBI:6788
KEGG:C00050
PMID:21784043
Wikipedia:Metal
chebi_ontology
elemental metal
elemental metals
metal element
metal elements
metals
CHEBI:33521
metal atom
PMID:21784043
Europe PMC
elemental metal
ChEBI
elemental metals
ChEBI
metal element
ChEBI
metal elements
ChEBI
metals
ChEBI
sulfur hydride
chebi_ontology
hydrides of sulfur
sulfur hydrides
sulphur hydrides
CHEBI:33535
sulfur hydride
sulfur hydride
ChEBI
hydrides of sulfur
ChEBI
sulfur hydrides
ChEBI
sulphur hydrides
ChEBI
The sulfur oxoanion formed by deprotonation of sulfonic acid.
-1
HO3S
InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1
BDHFUVZGWQCTTF-UHFFFAOYSA-M
81.07214
80.96519
[H]S([O-])(=O)=O
Gmelin:971569
hydridotrioxidosulfate(1-)
chebi_ontology
SHO3(-)
[SHO3](-)
sulfonates
CHEBI:33543
sulfonate
Gmelin:971569
Gmelin
hydridotrioxidosulfate(1-)
IUPAC
SHO3(-)
IUPAC
[SHO3](-)
IUPAC
sulfonates
ChEBI
An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon.
0
HO3SR
81.07100
80.96464
OS([*])(=O)=O
chebi_ontology
organosulfonic acids
sulfonic acids
CHEBI:33551
organosulfonic acid
organosulfonic acids
ChEBI
sulfonic acids
ChEBI
sulfonic acid derivative
chebi_ontology
derivatives of sulfonic acid
sulfonic acid derivatives
CHEBI:33552
sulfonic acid derivative
sulfonic acid derivative
ChEBI
derivatives of sulfonic acid
ChEBI
sulfonic acid derivatives
ChEBI
An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.
-1
O3SR
80.064
79.95681
*S([O-])(=O)=O
chebi_ontology
organosulfonate
organosulfonate oxoanions
organosulfonates
CHEBI:33554
organosulfonate oxoanion
organosulfonate
ChEBI
organosulfonate oxoanions
ChEBI
organosulfonates
ChEBI
Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an aryl group.
chebi_ontology
arenesulfonic acids
arylsulfonic acid
arylsulfonic acids
CHEBI:33555
arenesulfonic acid
arenesulfonic acids
ChEBI
arylsulfonic acid
ChEBI
arylsulfonic acids
ChEBI
An amino-acid anion obtained by deprotonation of any alpha-amino acid.
alpha-amino-acid anion
chebi_ontology
alpha-amino acid anions
alpha-amino-acid anions
CHEBI:33558
alpha-amino-acid anion
alpha-amino-acid anion
ChEBI
alpha-amino acid anions
ChEBI
alpha-amino-acid anions
ChEBI
chebi_ontology
s-block element
s-block elements
CHEBI:33559
s-block element atom
s-block element
ChEBI
s-block elements
ChEBI
Any main group element atom belonging to the p-block of the periodic table.
chebi_ontology
p-block element
p-block elements
CHEBI:33560
p-block element atom
p-block element
ChEBI
p-block elements
ChEBI
chebi_ontology
d-block element
d-block elements
CHEBI:33561
d-block element atom
d-block element
ChEBI
d-block elements
ChEBI
CHEBI:22705
CHEBI:22711
chebi_ontology
CHEBI:33570
benzenediols
Any benzenediol in which the two hydroxy groups are meta to one another.
chebi_ontology
CHEBI:33572
resorcinols
A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.
0
CHO2R
45.017
45.01740
44.99765
OC([*])=O
CHEBI:13428
CHEBI:13627
CHEBI:23027
PMID:17147560
PMID:18433345
Wikipedia:Carboxylic_acid
carboxylic acid
carboxylic acids
chebi_ontology
Carbonsaeure
Carbonsaeuren
Karbonsaeure
RC(=O)OH
acide carboxylique
acides carboxyliques
acido carboxilico
acidos carboxilicos
CHEBI:33575
carboxylic acid
PMID:17147560
Europe PMC
PMID:18433345
Europe PMC
carboxylic acid
IUPAC
carboxylic acids
IUPAC
Carbonsaeure
ChEBI
Carbonsaeuren
ChEBI
Karbonsaeure
ChEBI
RC(=O)OH
IUPAC
acide carboxylique
IUPAC
acides carboxyliques
IUPAC
acido carboxilico
IUPAC
acidos carboxilicos
IUPAC
A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table.
chebi_ontology
main group compounds
main group molecular entities
CHEBI:33579
main group molecular entity
main group compounds
ChEBI
main group molecular entities
ChEBI
carbon group molecular entity
chebi_ontology
carbon group molecular entities
CHEBI:33582
carbon group molecular entity
carbon group molecular entity
ChEBI
carbon group molecular entities
ChEBI
Any molecule that consists of a series of atoms joined together to form a ring.
Wikipedia:Cyclic_compound
chebi_ontology
cyclic compounds
CHEBI:33595
cyclic compound
cyclic compounds
ChEBI
A cyclic compound having as ring members atoms of the same element only.
homocyclic compound
homocyclic compounds
chebi_ontology
isocyclic compounds
CHEBI:33597
homocyclic compound
homocyclic compound
IUPAC
homocyclic compounds
IUPAC
isocyclic compounds
IUPAC
A homocyclic compound in which all of the ring members are carbon atoms.
carbocyclic compound
carbocyclic compounds
chebi_ontology
carbocycle
CHEBI:33598
carbocyclic compound
carbocyclic compound
IUPAC
carbocyclic compounds
IUPAC
carbocycle
ChEBI
A compound having one atom as the only common member of two rings.
spiro compound
spiro compounds
chebi_ontology
spiro-fused compounds
spirocycle
spirocycles
spirocyclic compound
spirocyclic compounds
spirofused compounds
CHEBI:33599
spiro compound
spiro compound
IUPAC
spiro compounds
IUPAC
spiro-fused compounds
IUPAC
spirocycle
ChEBI
spirocycles
ChEBI
spirocyclic compound
ChEBI
spirocyclic compounds
ChEBI
spirofused compounds
ChEBI
chebi_ontology
hydrogen compounds
hydrogen molecular entities
CHEBI:33608
hydrogen molecular entity
hydrogen compounds
ChEBI
hydrogen molecular entities
ChEBI
chebi_ontology
polycyclic compounds
CHEBI:33635
polycyclic compound
polycyclic compounds
ChEBI
A molecule that features two fused rings.
chebi_ontology
bicyclic compounds
CHEBI:33636
bicyclic compound
bicyclic compounds
ChEBI
A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms.
ortho-fused polycyclic compounds
chebi_ontology
ortho-fused compounds
CHEBI:33637
ortho-fused compound
ortho-fused polycyclic compounds
IUPAC
ortho-fused compounds
ChEBI
Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes.
olefin
olefins
chebi_ontology
olefins
CHEBI:33641
olefin
olefin
IUPAC
olefins
IUPAC
olefins
ChEBI
Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds.
aliphatic compounds
chebi_ontology
CHEBI:33653
aliphatic compound
aliphatic compounds
IUPAC
A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.
aromatic compounds
aromatic molecular entity
chebi_ontology
aromatics
aromatische Verbindungen
CHEBI:33655
aromatic compound
aromatic compounds
IUPAC
aromatic molecular entity
IUPAC
aromatics
ChEBI
aromatische Verbindungen
ChEBI
Any monocyclic or polycyclic aromatic hydrocarbon.
arene
arenes
chebi_ontology
aromatic hydrocarbons
CHEBI:33658
arene
arene
IUPAC
arenes
IUPAC
aromatic hydrocarbons
IUPAC
chebi_ontology
organic aromatic compounds
CHEBI:33659
organic aromatic compound
organic aromatic compounds
ChEBI
chebi_ontology
monocyclic compounds
CHEBI:33661
monocyclic compound
monocyclic compounds
ChEBI
A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms.
annulene
annulenes
chebi_ontology
CHEBI:33662
annulene
annulene
IUPAC
annulenes
IUPAC
cyclic hydrocarbon
chebi_ontology
cyclic hydrocarbons
CHEBI:33663
cyclic hydrocarbon
cyclic hydrocarbon
ChEBI
cyclic hydrocarbons
ChEBI
monocyclic hydrocarbon
monocyclic hydrocarbons
chebi_ontology
monocyclic hydrocarbons
CHEBI:33664
monocyclic hydrocarbon
monocyclic hydrocarbon
ChEBI
monocyclic hydrocarbons
IUPAC
monocyclic hydrocarbons
ChEBI
polycyclic hydrocarbon
polycyclic hydrocarbons
chebi_ontology
CHEBI:33666
polycyclic hydrocarbon
polycyclic hydrocarbon
IUPAC
polycyclic hydrocarbons
IUPAC
heteromonocyclic compound
heteromonocyclic compounds
chebi_ontology
CHEBI:33670
heteromonocyclic compound
heteromonocyclic compound
IUPAC
heteromonocyclic compounds
IUPAC
A polycyclic compound in which at least one of the rings contains at least one non-carbon atom.
heteropolycyclic compounds
chebi_ontology
polyheterocyclic compounds
CHEBI:33671
heteropolycyclic compound
heteropolycyclic compounds
IUPAC
polyheterocyclic compounds
ChEBI
A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom.
heterobicyclic compounds
chebi_ontology
CHEBI:33672
heterobicyclic compound
heterobicyclic compounds
IUPAC
chebi_ontology
zinc group molecular entities
CHEBI:33673
zinc group molecular entity
zinc group molecular entities
ChEBI
An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element.
s-block molecular entity
chebi_ontology
s-block compounds
s-block molecular entities
CHEBI:33674
s-block molecular entity
s-block molecular entity
ChEBI
s-block compounds
ChEBI
s-block molecular entities
ChEBI
A main group molecular entity that contains one or more atoms of a p-block element.
chebi_ontology
p-block compounds
p-block molecular entities
p-block molecular entitiy
CHEBI:33675
p-block molecular entity
p-block compounds
ChEBI
p-block molecular entities
ChEBI
p-block molecular entitiy
ChEBI
A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element.
d-block molecular entity
chebi_ontology
d-block compounds
d-block molecular entities
CHEBI:33676
d-block molecular entity
d-block molecular entity
ChEBI
d-block compounds
ChEBI
d-block molecular entities
ChEBI
Hydrides are chemical compounds of hydrogen with other chemical elements.
chebi_ontology
CHEBI:33692
hydrides
oxygen hydride
chebi_ontology
hydrides of oxygen
oxygen hydrides
CHEBI:33693
oxygen hydride
oxygen hydride
ChEBI
hydrides of oxygen
ChEBI
oxygen hydrides
ChEBI
A macromolecule formed by a living organism.
biopolymer
chebi_ontology
Biopolymere
biomacromolecules
biopolymers
CHEBI:33694
biomacromolecule
biopolymer
IUPAC
Biopolymere
ChEBI
biomacromolecules
ChEBI
biopolymers
ChEBI
chebi_ontology
genetically encoded biomacromolecules
genetically encoded biopolymers
information biomacromolecules
information biopolymers
information macromolecule
information macromolecules
CHEBI:33695
information biomacromolecule
genetically encoded biomacromolecules
ChEBI
genetically encoded biopolymers
ChEBI
information biomacromolecules
ChEBI
information biopolymers
ChEBI
information macromolecule
ChEBI
information macromolecules
ChEBI
A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid.
nucleic acids
chebi_ontology
NA
Nukleinsaeure
Nukleinsaeuren
acide nucleique
acides nucleiques
acido nucleico
acidos nucleicos
CHEBI:33696
nucleic acid
nucleic acids
IUPAC
NA
ChEBI
Nukleinsaeure
ChEBI
Nukleinsaeuren
ChEBI
acide nucleique
ChEBI
acides nucleiques
ChEBI
acido nucleico
ChEBI
acidos nucleicos
ChEBI
High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins.
CAS:63231-63-0
ribonucleic acid
ribonucleic acids
chebi_ontology
RNA
RNS
Ribonukleinsaeure
pentosenucleic acids
ribonucleic acids
ribose nucleic acid
yeast nucleic acid
CHEBI:33697
ribonucleic acid
CAS:63231-63-0
ChemIDplus
ribonucleic acid
IUPAC
ribonucleic acids
IUPAC
RNA
IUPAC
RNA
UniProt
RNS
ChEBI
Ribonukleinsaeure
ChEBI
pentosenucleic acids
ChemIDplus
ribonucleic acids
ChEBI
ribose nucleic acid
ChEBI
yeast nucleic acid
ChEBI
chebi_ontology
canonical amino-acid residue
canonical amino-acid residues
common amino acid residues
proteinogenic amino-acid residues
standard amino acid residues
standard amino-acid residues
CHEBI:33700
proteinogenic amino-acid residue
canonical amino-acid residue
ChEBI
canonical amino-acid residues
ChEBI
common amino acid residues
ChEBI
proteinogenic amino-acid residues
ChEBI
standard amino acid residues
ChEBI
standard amino-acid residues
ChEBI
A cation consisting of more than one atom.
chebi_ontology
polyatomic cations
CHEBI:33702
polyatomic cation
polyatomic cations
ChEBI
amino-acid cation
chebi_ontology
amino acid cation
amino-acid cations
CHEBI:33703
amino-acid cation
amino-acid cation
ChEBI
amino acid cation
ChEBI
amino-acid cations
ChEBI
An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group.
0
C2H4NO2R
74.05870
74.02420
NC([*])C(O)=O
CHEBI:10208
CHEBI:13779
CHEBI:22442
CHEBI:2642
KEGG:C00045
KEGG:C05167
alpha-amino acid
chebi_ontology
Amino acid
Amino acids
alpha-amino acids
alpha-amino carboxylic acids
CHEBI:33704
alpha-amino acid
alpha-amino acid
IUPAC
Amino acid
KEGG_COMPOUND
Amino acids
KEGG_COMPOUND
alpha-amino acids
ChEBI
alpha-amino acids
JCBN
alpha-amino carboxylic acids
IUPAC
When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue.
amino-acid residue
chebi_ontology
amino acid residue
amino-acid residues
CHEBI:33708
amino-acid residue
amino-acid residue
IUPAC
amino acid residue
ChEBI
amino-acid residues
JCBN
A carboxylic acid containing one or more amino groups.
CHEBI:13815
CHEBI:22477
Wikipedia:Amino_acid
chebi_ontology
Aminocarbonsaeure
Aminokarbonsaeure
Aminosaeure
amino acids
CHEBI:33709
amino acid
Aminocarbonsaeure
ChEBI
Aminokarbonsaeure
ChEBI
Aminosaeure
ChEBI
amino acids
ChEBI
0
C25H43N14O7R
522.519
522.24113
NC1NC(CC=N1)[C@@H]1NC(=O)\C(NC(=O)[C@@H](CN[*])NC(=O)[C@@H](C[*])NC(=O)[C@@H](N)CNC1=O)=C\NC(N)=O
CAS:11003-38-6
KEGG:C01790
KEGG:D07607
Capreomycin
chebi_ontology
capreomycins
CHEBI:3371
capreomycin
CAS:11003-38-6
KEGG COMPOUND
Capreomycin
KEGG_COMPOUND
capreomycins
ChEBI
An amino-acid residue derived from an alpha-amino acid.
0
C2H2NOR
56.043
56.01364
*-NC([*])C(-*)=O
chebi_ontology
alpha-amino-acid residues
an alpha-amino acid residue
CHEBI:33710
alpha-amino-acid residue
alpha-amino-acid residues
ChEBI
an alpha-amino acid residue
UniProt
alpha-amino-acid cation
chebi_ontology
alpha-amino acid cations
alpha-amino-acid cations
CHEBI:33719
alpha-amino-acid cation
alpha-amino-acid cation
ChEBI
alpha-amino acid cations
ChEBI
alpha-amino-acid cations
ChEBI
manganese group molecular entity
chebi_ontology
manganese group molecular entities
CHEBI:33743
manganese group molecular entity
manganese group molecular entity
ChEBI
manganese group molecular entities
ChEBI
copper group molecular entity
chebi_ontology
copper group molecular entities
CHEBI:33745
copper group molecular entity
copper group molecular entity
ChEBI
copper group molecular entities
ChEBI
chebi_ontology
canonical nucleoside residues
common nucleoside residues
nucleoside residue
standard nucleoside residues
CHEBI:33791
canonical nucleoside residue
canonical nucleoside residues
ChEBI
common nucleoside residues
CBN
nucleoside residue
CBN
standard nucleoside residues
ChEBI
chebi_ontology
N
Nuc
canonical ribonucleoside residues
common ribonucleoside residue
common ribonucleoside residues
standard ribonucleoside residues
CHEBI:33792
canonical ribonucleoside residue
N
CBN
Nuc
CBN
canonical ribonucleoside residues
ChEBI
common ribonucleoside residue
CBN
common ribonucleoside residues
CBN
standard ribonucleoside residues
ChEBI
An organic compound having at least one hydroxy group attached to a carbon atom.
CHEBI:64710
hydroxy compounds
chebi_ontology
organic alcohol
organic hydroxy compounds
CHEBI:33822
organic hydroxy compound
hydroxy compounds
IUPAC
organic alcohol
ChEBI
organic hydroxy compounds
ChEBI
Any organic molecule that consists of atoms connected in the form of a ring.
chebi_ontology
organic cyclic compounds
CHEBI:33832
organic cyclic compound
organic cyclic compounds
ChEBI
A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).
heteroarenes
chebi_ontology
hetarenes
CHEBI:33833
heteroarene
heteroarenes
IUPAC
hetarenes
IUPAC
chebi_ontology
benzenoid aromatic compounds
benzenoid compound
CHEBI:33836
benzenoid aromatic compound
benzenoid aromatic compounds
ChEBI
benzenoid compound
ChEBI
An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents.
0
C5H8O3R2
116.115
116.04734
[C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO
CHEBI:13661
CHEBI:25611
CHEBI:7647
KEGG:C00801
Wikipedia:Nucleoside
Nucleoside
nucleosides
chebi_ontology
a nucleoside
nucleosides
CHEBI:33838
nucleoside
Nucleoside
KEGG_COMPOUND
nucleosides
IUPAC
a nucleoside
UniProt
nucleosides
ChEBI
A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.
Wikipedia:Macromolecule
macromolecule
chebi_ontology
macromolecules
polymer
polymer molecule
polymers
CHEBI:33839
macromolecule
macromolecule
IUPAC
macromolecules
ChEBI
polymer
ChEBI
polymer molecule
IUPAC
polymers
ChEBI
chebi_ontology
aromatic annulenes
CHEBI:33842
aromatic annulene
aromatic annulenes
ChEBI
A monocyclic aromatic hydrocarbon.
chebi_ontology
monocyclic arenes
CHEBI:33847
monocyclic arene
monocyclic arenes
ChEBI
A polycyclic aromatic hydrocarbon.
PMID:15198916
PMID:25679824
Wikipedia:Polycyclic_aromatic_hydrocarbon
chebi_ontology
PAH
PAHs
polycyclic arenes
polycyclic aromatic hydrocarbons
CHEBI:33848
polycyclic arene
PMID:15198916
Europe PMC
PMID:25679824
Europe PMC
PAH
ChEBI
PAHs
ChEBI
polycyclic arenes
ChEBI
polycyclic aromatic hydrocarbons
ChEBI
Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
0
C6HOR5
89.072
89.00274
C1(=C(C(=C(C(=C1*)*)*)*)*)O
CHEBI:13664
CHEBI:13825
CHEBI:25969
CHEBI:2857
KEGG:C15584
MetaCyc:Phenols
Wikipedia:Phenols
phenols
chebi_ontology
Aryl alcohol
a phenol
arenols
CHEBI:33853
phenols
phenols
IUPAC
Aryl alcohol
KEGG_COMPOUND
a phenol
UniProt
arenols
IUPAC
An amino acid whose structure includes an aromatic ring.
0
C2H4NO2R
88.085
74.02420
CHEBI:13820
CHEBI:22623
CHEBI:2835
KEGG:C01021
Wikipedia:Aromatic_amino_acid
Aromatic amino acid
chebi_ontology
aromatic amino acids
CHEBI:33856
aromatic amino acid
Aromatic amino acid
KEGG_COMPOUND
aromatic amino acids
ChEBI
Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.
CHEBI:13817
CHEBI:13821
CHEBI:2830
chebi_ontology
aromatic carboxylic acids
CHEBI:33859
aromatic carboxylic acid
aromatic carboxylic acids
ChEBI
An amino compound in which the amino group is linked directly to an aromatic system.
CHEBI:13827
CHEBI:22622
CHEBI:22646
CHEBI:2834
CHEBI:2863
chebi_ontology
aromatic amines
aryl amine
aryl amines
arylamine
arylamines
CHEBI:33860
aromatic amine
aromatic amines
ChEBI
aryl amine
ChEBI
aryl amines
ChEBI
arylamine
ChEBI
arylamines
ChEBI
chebi_ontology
transition element coordination entities
transition metal coordination compounds
transition metal coordination entities
CHEBI:33861
transition element coordination entity
transition element coordination entities
ChEBI
transition metal coordination compounds
ChEBI
transition metal coordination entities
ChEBI
A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
reagent
chebi_ontology
reactif
reactivo
reagents
CHEBI:33893
reagent
reagent
IUPAC
reactif
IUPAC
reactivo
IUPAC
reagents
ChEBI
A hexose with a (potential) aldehyde group at one end.
CHEBI:2558
aldohexose
chebi_ontology
aldohexoses
CHEBI:33917
aldohexose
aldohexose
ChEBI
aldohexoses
ChEBI
A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.
0
C9H9N3O2
InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
TWFZGCMQGLPBSX-UHFFFAOYSA-N
191.18670
191.06948
COC(=O)Nc1nc2ccccc2[nH]1
CAS:10605-21-7
HMDB:HMDB0031769
KEGG:C10897
PMID:20833408
PMID:21315898
PMID:22077925
PMID:22903170
PPDB:116
Patent:US3010968
Pesticides:carbendazim
Reaxys:649044
Wikipedia:Carbendazim
Carbendazim
carbendazim
methyl 1H-benzimidazol-2-ylcarbamate
chebi_ontology
1H-benzimidazol-2-ylcarbamic acid methyl ester
2-(Methoxy-carbonylamino)-benzimidazol
2-(methoxycarbonylamino)-benzimidazole
2-(methoxycarbonylamino)benzimidazole
2-benzimidazolecarbamic acid methyl ester
BMC
MBC
Mecarzole
carbendazime
methyl 2-benzimidazolecarbamate
methyl benzimidazol-2-ylcarbamate
CHEBI:3392
carbendazim
CAS:10605-21-7
ChemIDplus
CAS:10605-21-7
KEGG COMPOUND
PMID:20833408
Europe PMC
PMID:21315898
Europe PMC
PMID:22077925
Europe PMC
PMID:22903170
Europe PMC
Pesticides:carbendazim
Alan Wood's Pesticides
Reaxys:649044
Reaxys
Carbendazim
KEGG_COMPOUND
carbendazim
UniProt
methyl 1H-benzimidazol-2-ylcarbamate
IUPAC
1H-benzimidazol-2-ylcarbamic acid methyl ester
ChEBI
2-(Methoxy-carbonylamino)-benzimidazol
ChemIDplus
2-(methoxycarbonylamino)-benzimidazole
ChemIDplus
2-(methoxycarbonylamino)benzimidazole
ChEBI
2-benzimidazolecarbamic acid methyl ester
ChEBI
BMC
ChEBI
MBC
ChEBI
Mecarzole
KEGG_COMPOUND
carbendazime
ChemIDplus
methyl 2-benzimidazolecarbamate
ChemIDplus
methyl benzimidazol-2-ylcarbamate
ChemIDplus
A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain.
0
C17H18N2O6S
InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1
FPPNZSSZRUTDAP-UWFZAAFLSA-N
378.40070
378.08856
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)c1ccccc1)C(O)=O
Beilstein:1230663
CAS:4697-36-3
DrugBank:DB00578
Drug_Central:492
HMDB:HMDB0014717
KEGG:C06869
KEGG:D07614
PMID:12569987
PMID:22648337
PMID:6176550
Patent:US3142673
Reaxys:1230663
Wikipedia:Carbenicillin
6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid
chebi_ontology
(2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CBPC
N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid
alpha-carboxybenzylpencillin
alpha-phenyl(carboxymethylpenicillin)
carbenicilina
carbenicillin
carbenicilline
carbenicillinum
carboxybenzylpenicillin
CHEBI:3393
carbenicillin
Beilstein:1230663
Beilstein
CAS:4697-36-3
ChemIDplus
CAS:4697-36-3
KEGG COMPOUND
Drug_Central:492
DrugCentral
PMID:12569987
Europe PMC
PMID:22648337
Europe PMC
PMID:6176550
Europe PMC
Reaxys:1230663
Reaxys
6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
(2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
CBPC
ChEBI
N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid
ChemIDplus
alpha-carboxybenzylpencillin
ChemIDplus
alpha-phenyl(carboxymethylpenicillin)
ChemIDplus
carbenicilina
DrugBank
carbenicillin
KEGG_DRUG
carbenicilline
DrugBank
carbenicillinum
DrugBank
carboxybenzylpenicillin
DrugBank
Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals.
chebi_ontology
macronutrients
CHEBI:33937
macronutrient
macronutrients
ChEBI
chebi_ontology
halide salts
halides
CHEBI:33958
halide salt
halide salts
ChEBI
halides
ChEBI
A phenylenediamine in which the two amino groups are ortho to each other.
0
C6H8N2
InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
GEYOCULIXLDCMW-UHFFFAOYSA-N
108.14120
108.06875
Nc1ccccc1N
Beilstein:606074
CAS:95-54-5
KEGG:C14402
PMID:23099167
PMID:23172354
PMID:23220522
PMID:23232561
PMID:23245188
PMID:23317160
PMID:23323634
PMID:23364618
PMID:23452313
PMID:2420897
PMID:9025914
Reaxys:606074
Wikipedia:O-Phenylenediamine
benzene-1,2-diamine
chebi_ontology
1,2-Diaminobenzene
2-Aminoaniline
2-Phenylene diamine
OPDA
o-Phenylenediamine
phenylene-1,2-dimaine
CHEBI:34043
1,2-phenylenediamine
Beilstein:606074
Beilstein
CAS:95-54-5
ChemIDplus
CAS:95-54-5
KEGG COMPOUND
CAS:95-54-5
NIST Chemistry WebBook
PMID:23099167
Europe PMC
PMID:23172354
Europe PMC
PMID:23220522
Europe PMC
PMID:23232561
Europe PMC
PMID:23245188
Europe PMC
PMID:23317160
Europe PMC
PMID:23323634
Europe PMC
PMID:23364618
Europe PMC
PMID:23452313
Europe PMC
PMID:2420897
Europe PMC
PMID:9025914
Europe PMC
Reaxys:606074
Reaxys
benzene-1,2-diamine
IUPAC
1,2-Diaminobenzene
KEGG_COMPOUND
2-Aminoaniline
ChemIDplus
2-Phenylene diamine
KEGG_COMPOUND
OPDA
ChemIDplus
o-Phenylenediamine
KEGG_COMPOUND
phenylene-1,2-dimaine
ChEBI
An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.
0
C12H13NO2S
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
GYSSRZJIHXQEHQ-UHFFFAOYSA-N
235.300
235.06670
CC1=C(SCCO1)C(=O)NC1=CC=CC=C1
Beilstein:983249
CAS:5234-68-4
KEGG:C11255
LINCS:LSM-25660
MetaCyc:CPD0-1366
PDBeChem:CBE
PMID:21228470
PMID:23047320
PMID:23261124
PMID:24119086
PMID:24785712
PMID:30724184
PMID:34065659
PMID:35182799
PMID:5386172
PMID:5487095
PMID:974232
PPDB:122
Patent:EP0042182
Pesticides:carboxin
Reaxys:983249
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
chebi_ontology
2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide
2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin
5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin
5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin
Carbathiin
Carboxine
oxatin
CHEBI:3405
carboxin
Beilstein:983249
ChemIDplus
CAS:5234-68-4
ChemIDplus
CAS:5234-68-4
KEGG COMPOUND
CAS:5234-68-4
NIST Chemistry WebBook
PMID:21228470
Europe PMC
PMID:23047320
Europe PMC
PMID:23261124
Europe PMC
PMID:24119086
Europe PMC
PMID:24785712
Europe PMC
PMID:30724184
Europe PMC
PMID:34065659
Europe PMC
PMID:35182799
Europe PMC
PMID:5386172
Europe PMC
PMID:5487095
Europe PMC
PMID:974232
Europe PMC
Pesticides:carboxin
Alan Wood's Pesticides
Reaxys:983249
Reaxys
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
IUPAC
2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
ChemIDplus
2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide
NIST_Chemistry_WebBook
2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin
ChemIDplus
5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
ChemIDplus
5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin
ChemIDplus
5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
ChemIDplus
5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin
ChemIDplus
Carbathiin
ChemIDplus
Carboxine
ChemIDplus
oxatin
MetaCyc
A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.
0
C9H8Cl3NO2S
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
LDVVMCZRFWMZSG-UHFFFAOYSA-N
300.58900
298.93413
ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O
CAS:133-06-2
KEGG:C14438
PMID:20433167
PMID:20569196
PMID:21121628
PMID:21381057
PMID:21381058
PMID:23692481
PMID:23742211
PMID:6578186
PMID:9530801
PPDB:114
Patent:US2553771
Patent:US2653155
Patent:US2713058
Pesticides:captan
Wikipedia:Captan
2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
chebi_ontology
1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide
3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione
3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide
Amercide
Bangton
Captab
Captadin
Captaf
Captanex
Captex
ENT 26,538
Hexacap
Kaptan
Malipur
Merpan
N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide
N-[(trichloromethyl)thio]tetrahydrophthalimide
N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide
N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide
N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide
Neracid
Orthocide
Osocide
SR 406
SR406
Vanicide
Venturin
Vondcaptan
Zenecal
captane
CHEBI:34608
captan
CAS:133-06-2
ChemIDplus
CAS:133-06-2
KEGG COMPOUND
CAS:133-06-2
NIST Chemistry WebBook
PMID:20433167
Europe PMC
PMID:20569196
Europe PMC
PMID:21121628
Europe PMC
PMID:21381057
Europe PMC
PMID:21381058
Europe PMC
PMID:23692481
Europe PMC
PMID:23742211
Europe PMC
PMID:6578186
Europe PMC
PMID:9530801
Europe PMC
Pesticides:captan
Alan Wood's Pesticides
2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
IUPAC
1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide
ChemIDplus
3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione
ChemIDplus
3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide
ChemIDplus
Amercide
ChemIDplus
Bangton
ChemIDplus
Captab
ChemIDplus
Captadin
ChemIDplus
Captaf
ChemIDplus
Captanex
ChemIDplus
Captex
ChemIDplus
ENT 26,538
ChemIDplus
Hexacap
ChemIDplus
Kaptan
ChemIDplus
Malipur
ChemIDplus
Merpan
ChemIDplus
N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide
ChemIDplus
N-[(trichloromethyl)thio]tetrahydrophthalimide
ChemIDplus
N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide
ChemIDplus
N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide
ChemIDplus
N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide
ChemIDplus
Neracid
ChemIDplus
Orthocide
ChemIDplus
Osocide
ChemIDplus
SR 406
ChemIDplus
SR406
ChemIDplus
Vanicide
ChemIDplus
Venturin
NIST_Chemistry_WebBook
Vondcaptan
NIST_Chemistry_WebBook
Zenecal
NIST_Chemistry_WebBook
captane
ChemIDplus
An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0.
0
C32H22N6Na2O6S2
C32H22N6O6S2.2Na
InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
IQFVPQOLBLOTPF-UHFFFAOYSA-L
696.667
696.08376
C1=CC(C2=CC=C(N=NC3=CC(=C4C(=C3N)C=CC=C4)S([O-])(=O)=O)C=C2)=CC=C1N=NC5=CC(=C6C(=C5N)C=CC=C6)S([O-])(=O)=O.[Na+].[Na+]
Beilstein:3894858
Beilstein:741468
CAS:573-58-0
Gmelin:135213
KEGG:C14078
Congo red
disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
chebi_ontology
Direct red 28
Kongorot
Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate
disodium 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-aminonaphthalene-1-sulphonate)
CHEBI:34653
Congo Red
Beilstein:3894858
Beilstein
Beilstein:741468
Beilstein
CAS:573-58-0
ChemIDplus
CAS:573-58-0
KEGG COMPOUND
Gmelin:135213
Gmelin
Congo red
KEGG_COMPOUND
disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
IUPAC
Direct red 28
KEGG_COMPOUND
Kongorot
ChemIDplus
Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate
KEGG_COMPOUND
disodium 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-aminonaphthalene-1-sulphonate)
ChemIDplus
A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
0
C15H14ClN3O4S
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
QYIYFLOTGYLRGG-GPCCPHFNSA-N
367.80700
367.03935
[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O
CHEBI:472656
Beilstein:3632473
CAS:53994-73-3
DrugBank:DB00833
Drug_Central:525
HMDB:HMDB0014971
KEGG:C06877
KEGG:D00256
LINCS:LSM-5368
PMID:10230635
PMID:10930630
PMID:11963587
PMID:12485718
PMID:12569987
PMID:15812119
PMID:18969055
PMID:29017833
Patent:DE2408698
Patent:US3925372
Reaxys:3632473
Wikipedia:Cefaclor
(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid
Cefaclor
cefaclor
chebi_ontology
3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid
CCL
Cefaclor anhydrous
Cephaclor
cefaclorum
CHEBI:3478
cefaclor
Beilstein:3632473
Beilstein
CAS:53994-73-3
ChemIDplus
CAS:53994-73-3
DrugBank
CAS:53994-73-3
KEGG COMPOUND
CAS:53994-73-3
KEGG DRUG
Drug_Central:525
DrugCentral
PMID:10230635
ChEMBL
PMID:10930630
Europe PMC
PMID:11963587
Europe PMC
PMID:12485718
Europe PMC
PMID:12569987
Europe PMC
PMID:15812119
Europe PMC
PMID:18969055
Europe PMC
PMID:29017833
Europe PMC
Reaxys:3632473
Reaxys
(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid
IUPAC
Cefaclor
KEGG_COMPOUND
cefaclor
ChEMBL
3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid
ChemIDplus
CCL
KEGG_DRUG
Cefaclor anhydrous
ChemIDplus
Cephaclor
ChemIDplus
cefaclorum
DrugBank
A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms.
0
C17H17N7O8S4
InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1
SRZNHPXWXCNNDU-IXOPCIAXSA-N
575.61900
575.00215
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O
CHEBI:558729
Beilstein:5697364
CAS:69712-56-7
DrugBank:DB01330
Drug_Central:547
KEGG:C06886
KEGG:D00260
LINCS:LSM-5961
PMID:17664321
PMID:29017833
Patent:DE2824559
Patent:US4263432
Reaxys:5697364
Wikipedia:Cefotetan
(6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
Cefotetan
cefotetan
chebi_ontology
(6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid
cefotetan
cefotetanum
CHEBI:3499
cefotetan
Beilstein:5697364
Beilstein
CAS:69712-56-7
ChemIDplus
CAS:69712-56-7
KEGG COMPOUND
Drug_Central:547
DrugCentral
PMID:17664321
ChEMBL
PMID:29017833
Europe PMC
Reaxys:5697364
Reaxys
(6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
IUPAC
Cefotetan
KEGG_COMPOUND
cefotetan
ChEMBL
(6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid
ChemIDplus
cefotetan
ChemIDplus
cefotetanum
ChemIDplus
Any of the glycopeptides whose structure consists of teicoplanin A3-1 in which the hydroxy group of the di(aryloxy)-substituted phenol moiety has been converted to the corresponding 2-acylamino-2-deoxy-beta-D-glucoside. Members of the class differ only in the nature of the acyl group.
0
C79H78Cl2N9O33R
1752.414
1750.40791
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC([*])=O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O
KEGG:C13781
chebi_ontology
teicoplanin A2-*
CHEBI:34994
teicoplanin A2
teicoplanin A2-*
ChEBI
A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group.
0
C88H95Cl2N9O33
InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)131-78-75(114)72(111)57(31-100)127-85(78)99-67-55-26-40-27-56(67)126-52-18-14-38(24-47(52)90)77(132-87-68(92-34(2)103)73(112)70(109)58(32-101)129-87)69-84(121)97-66(86(122)123)45-29-42(105)30-54(128-88-76(115)74(113)71(110)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)98-69)95-83(120)65(40)96-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)94-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-66,68-78,85,87-88,99-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,116)(H,95,120)(H,96,119)(H,97,121)(H,98,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62-,63-,64+,65-,66+,68-,69+,70-,71-,72-,73-,74+,75+,76+,77-,78-,85-,87+,88+/m1/s1
SGSMSXWFVXNLOG-UCNABHHISA-N
1877.64200
1875.54093
CCCCC\C=C/CCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Nc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl
CAS:91032-34-7
KEGG:C13587
Reaxys:6261779
Teicoplanin A2-1
chebi_ontology
(Z)-34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
(Z)-34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
Teichomycin A2 factor 1
CHEBI:34995
teicoplanin A2-1
CAS:91032-34-7
ChemIDplus
CAS:91032-34-7
KEGG COMPOUND
Reaxys:6261779
Reaxys
Teicoplanin A2-1
KEGG_COMPOUND
(Z)-34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChemIDplus
(Z)-34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChEBI
Teichomycin A2 factor 1
KEGG_COMPOUND
A teicoplanin A2 that has decanoyl as the variable N-acyl group.
0
C88H97Cl2N9O33
InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
BJNLLBUOHPVGFT-PKMGYIMSSA-N
1879.65800
1877.55658
CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl
CAS:91032-36-9
KEGG:C13588
Reaxys:6995259
Teicoplanin A2-3
chebi_ontology
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
Teichomycin A2 factor 3
CHEBI:34996
teicoplanin A2-3
CAS:91032-36-9
ChemIDplus
CAS:91032-36-9
KEGG COMPOUND
Reaxys:6995259
Reaxys
Teicoplanin A2-3
KEGG_COMPOUND
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChemIDplus
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChEBI
Teichomycin A2 factor 3
KEGG_COMPOUND
A teicoplanin A2 that has 8-methyldecanoyl as the variable N-acyl group.
0
C89H99Cl2N9O33
InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1
KSPOYQQCANXEDC-WNTLLCOUSA-N
1893.68500
1891.57223
CCC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl
CAS:91032-37-0
KEGG:C13610
Reaxys:6261978
Teicoplanin A2-4
chebi_ontology
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
Teichomycin A2 factor 4
CHEBI:34997
teicoplanin A2-4
CAS:91032-37-0
ChemIDplus
CAS:91032-37-0
KEGG COMPOUND
Reaxys:6261978
Reaxys
Teicoplanin A2-4
KEGG_COMPOUND
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChemIDplus
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChEBI
Teichomycin A2 factor 4
KEGG_COMPOUND
A teicoplanin A2 that has 9-methyldecanoyl as the variable N-acyl group.
0
C89H99Cl2N9O33
InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1
FHBQKTSCJKPYIO-RLDSMAAISA-N
1893.68500
1891.57223
CC(C)CCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl
CAS:91032-38-1
KEGG:C13612
Reaxys:6995322
Reaxys:7509352
Teicoplanin A2-5
chebi_ontology
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
Teichomycin A2 factor 5
CHEBI:34998
teicoplanin A2-5
CAS:91032-38-1
ChemIDplus
CAS:91032-38-1
KEGG COMPOUND
Reaxys:6995322
Reaxys
Reaxys:7509352
Reaxys
Teicoplanin A2-5
KEGG_COMPOUND
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChemIDplus
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChEBI
Teichomycin A2 factor 5
KEGG_COMPOUND
A glycopeptide consisting of a macropolycyclic heptapeptide in which a phenolic hydroxy group has been converted to its alpha-D-mannoside while a secondary alcohol group has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucoside.
0
C72H68Cl2N8O28
InChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54+,55-,56+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1
SUFIXUDUKRJOBH-JSMFNTJWSA-N
1564.25300
1562.35201
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O
CAS:93616-27-4
KEGG:C13613
PMID:1416858
Reaxys:6267420
Teicoplanin A3-1
chebi_ontology
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone
CHEBI:34999
teicoplanin A3-1
CAS:93616-27-4
ChemIDplus
CAS:93616-27-4
KEGG COMPOUND
PMID:1416858
Europe PMC
Reaxys:6267420
Reaxys
Teicoplanin A3-1
KEGG_COMPOUND
34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChemIDplus
34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone
ChEBI
A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould.
0
C12H14N4O4S2
InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
QGHREAKMXXNCOA-UHFFFAOYSA-N
342.39400
342.04565
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
CAS:23564-05-8
KEGG:C14432
PMID:22057426
PMID:22667099
PMID:23242258
PMID:23775824
PMID:23978278
PMID:24256946
PMID:24366405
PPDB:640
Pesticides:thiophanate-methyl
Reaxys:937942
dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate
chebi_ontology
1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene
1,2-Bis(methoxycarbonylthioureido)benzene
1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene
Methyl thiophanate
Methylthiofanate
Methylthiophanate
dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)
dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate
dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]
o-Bis(3-methoxycarbonyl-2-thioureido)benzene
CHEBI:35014
thiophanate-methyl
CAS:23564-05-8
ChemIDplus
CAS:23564-05-8
KEGG COMPOUND
PMID:22057426
Europe PMC
PMID:22667099
Europe PMC
PMID:23242258
Europe PMC
PMID:23775824
Europe PMC
PMID:23978278
Europe PMC
PMID:24256946
Europe PMC
PMID:24366405
Europe PMC
Pesticides:thiophanate-methyl
Alan Wood's Pesticides
Reaxys:937942
Reaxys
dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate
IUPAC
1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene
ChemIDplus
1,2-Bis(methoxycarbonylthioureido)benzene
ChemIDplus
1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene
ChemIDplus
1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene
KEGG_COMPOUND
Methyl thiophanate
ChemIDplus
Methylthiofanate
ChemIDplus
Methylthiophanate
ChemIDplus
dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)
Alan_Wood's_Pesticides
dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate
Alan_Wood's_Pesticides
dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]
Alan_Wood's_Pesticides
o-Bis(3-methoxycarbonyl-2-thioureido)benzene
ChemIDplus
A third-generation cephalosporin antibiotic with methoxymethyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamino substituents at positions 3 and 7, respectively, of the cephem skeleton. Given by mouth as its proxetil ester prodrug, it is used to treat acute otitis media, pharyngitis, and sinusitis.
0
C15H17N5O6S2
InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1
WYUSVOMTXWRGEK-HBWVYFAYSA-N
427.45500
427.06203
[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
CHEBI:606443
Beilstein:6021381
CAS:80210-62-4
DrugBank:DB01416
KEGG:C08114
KEGG:D07650
PMID:20606336
PMID:20821175
PMID:21395603
PMID:21420838
PMID:21455420
PMID:21509928
PMID:21569093
PMID:21667000
PMID:29017833
Reaxys:6021381
VSDB:2968
Wikipedia:Cefpodoxime
7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
cefpodoxima
cefpodoxime
cefpodoximum
CHEBI:3504
cefpodoxime
Beilstein:6021381
Beilstein
CAS:80210-62-4
ChemIDplus
CAS:80210-62-4
KEGG COMPOUND
PMID:20606336
Europe PMC
PMID:20821175
Europe PMC
PMID:21395603
Europe PMC
PMID:21420838
Europe PMC
PMID:21455420
Europe PMC
PMID:21509928
Europe PMC
PMID:21569093
Europe PMC
PMID:21667000
Europe PMC
PMID:29017833
Europe PMC
Reaxys:6021381
Reaxys
7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
cefpodoxima
ChemIDplus
cefpodoxime
ChemIDplus
cefpodoximum
ChemIDplus
The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis.
0
C21H27N5O9S2
InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1
LTINZAODLRIQIX-FBXRGJNPSA-N
557.59700
557.12502
[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OC(C)OC(=O)OC(C)C
Beilstein:8174918
CAS:87239-81-4
DrugBank:DB01416
Drug_Central:555
KEGG:C08115
KEGG:D00920
Patent:EP49118
Patent:US4486425
1-{[(propan-2-yloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylate
chebi_ontology
(RS)-1-((isopropoxycarbonyl)oxy)ethyl (+)-(6R,7R)-7-(2-(2-amino-4-thiazolyl)-2-((Z)-methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
cefpodoxime 1-(isopropyloxycarbonyloxy)ethyl ester
CHEBI:3505
cefpodoxime proxetil
Beilstein:8174918
Beilstein
CAS:87239-81-4
ChemIDplus
CAS:87239-81-4
KEGG COMPOUND
Drug_Central:555
DrugCentral
1-{[(propan-2-yloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC
1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylate
IUPAC
(RS)-1-((isopropoxycarbonyl)oxy)ethyl (+)-(6R,7R)-7-(2-(2-amino-4-thiazolyl)-2-((Z)-methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
ChemIDplus
cefpodoxime 1-(isopropyloxycarbonyloxy)ethyl ester
ChEBI
A third-generation cephalosporin antibiotic bearing pyridinium-1-ylmethyl and {[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
0
C22H22N6O7S2
InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1
ORFOPKXBNMVMKC-DWVKKRMSSA-N
546.57600
546.09914
[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O
Beilstein:5475149
CAS:72558-82-8
DrugBank:DB00438
KEGG:C06889
KEGG:D07654
PMID:11252323
PMID:11284241
PMID:11591698
PMID:11605815
PMID:11815759
PMID:12048030
PMID:12120880
PMID:12523657
PMID:12767750
PMID:12833570
PMID:1384868
PMID:14961139
PMID:15528892
PMID:15618675
PMID:15687217
PMID:15913752
PMID:16092041
PMID:16501927
PMID:16956383
PMID:18611568
PMID:18926104
PMID:19810175
PMID:1991925
PMID:2068466
PMID:24089577
PMID:2570956
PMID:28543395
Patent:DE2921316
Patent:US4258041
Reaxys:5475149
Wikipedia:Ceftazidime
7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate
chebi_ontology
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAZ
Ceftazidime anhydrous
ceftazidima
ceftazidime
ceftazidimum
CHEBI:3508
ceftazidime
Beilstein:5475149
Beilstein
CAS:72558-82-8
ChemIDplus
CAS:72558-82-8
KEGG COMPOUND
CAS:72558-82-8
KEGG DRUG
PMID:11252323
Europe PMC
PMID:11284241
Europe PMC
PMID:11591698
Europe PMC
PMID:11605815
Europe PMC
PMID:11815759
Europe PMC
PMID:12048030
Europe PMC
PMID:12120880
Europe PMC
PMID:12523657
Europe PMC
PMID:12767750
Europe PMC
PMID:12833570
Europe PMC
PMID:1384868
Europe PMC
PMID:14961139
Europe PMC
PMID:15528892
Europe PMC
PMID:15618675
Europe PMC
PMID:15687217
Europe PMC
PMID:15913752
Europe PMC
PMID:16092041
Europe PMC
PMID:16501927
Europe PMC
PMID:16956383
Europe PMC
PMID:18611568
Europe PMC
PMID:18926104
Europe PMC
PMID:19810175
Europe PMC
PMID:1991925
Europe PMC
PMID:2068466
Europe PMC
PMID:24089577
Europe PMC
PMID:2570956
Europe PMC
PMID:28543395
Europe PMC
Reaxys:5475149
Reaxys
7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate
IUPAC
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC
CAZ
KEGG_DRUG
Ceftazidime anhydrous
ChemIDplus
ceftazidima
DrugBank
ceftazidime
KEGG_DRUG
ceftazidimum
DrugBank
chebi_ontology
nitrogen hydrides
CHEBI:35106
nitrogen hydride
nitrogen hydrides
ChEBI
Saturated acyclic nitrogen hydrides having the general formula NnHn+2.
chebi_ontology
azanes
CHEBI:35107
azane
azanes
ChEBI
manganese coordination entity
chebi_ontology
manganese coordination compounds
manganese coordination entities
CHEBI:35117
manganese coordination entity
manganese coordination entity
ChEBI
manganese coordination compounds
ChEBI
manganese coordination entities
ChEBI
chebi_ontology
aldose phosphates
CHEBI:35131
aldose phosphate
aldose phosphates
ChEBI
A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain.
0
C16H16N4O8S
InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
JFPVXVDWJQMJEE-IZRZKJBUSA-N
424.38640
424.06888
[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1ccco1)C(O)=O
CAS:55268-75-2
DrugBank:DB01112
Drug_Central:565
KEGG:C06894
KEGG:D00262
MetaCyc:CPD0-2069
PMID:11168076
PMID:11322179
PMID:11581233
PMID:12141712
PMID:12235459
PMID:12833570
PMID:12898829
PMID:14658923
PMID:15052582
PMID:15828440
PMID:16341950
PMID:17111749
PMID:17113884
PMID:17261579
PMID:17366015
PMID:17676080
PMID:18208759
PMID:18611587
PMID:18795089
PMID:18931469
PMID:19069618
PMID:19142482
PMID:19411164
PMID:21425867
PMID:29017833
Patent:DE2439880
Patent:DE2706413
Patent:US3974153
Patent:US4267320
Reaxys:5783190
Wikipedia:Cefuroxime
3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid
Cefuroxime
chebi_ontology
(6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefuroxim
Cephuroxime
Sharox
Zinacef Danmark
cefuroxime
cefuroximo
cefuroximum
CHEBI:3515
cefuroxime
CAS:55268-75-2
ChemIDplus
CAS:55268-75-2
KEGG COMPOUND
Drug_Central:565
DrugCentral
PMID:11168076
Europe PMC
PMID:11322179
Europe PMC
PMID:11581233
Europe PMC
PMID:12141712
Europe PMC
PMID:12235459
Europe PMC
PMID:12833570
Europe PMC
PMID:12898829
Europe PMC
PMID:14658923
Europe PMC
PMID:15052582
Europe PMC
PMID:15828440
Europe PMC
PMID:16341950
Europe PMC
PMID:17111749
Europe PMC
PMID:17113884
Europe PMC
PMID:17261579
Europe PMC
PMID:17366015
Europe PMC
PMID:17676080
Europe PMC
PMID:18208759
Europe PMC
PMID:18611587
Europe PMC
PMID:18795089
Europe PMC
PMID:18931469
Europe PMC
PMID:19069618
Europe PMC
PMID:19142482
Europe PMC
PMID:19411164
Europe PMC
PMID:21425867
Europe PMC
PMID:29017833
Europe PMC
Reaxys:5783190
Reaxys
3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid
IUPAC
Cefuroxime
KEGG_COMPOUND
(6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
Cefuroxim
ChemIDplus
Cephuroxime
ChemIDplus
Sharox
ChemIDplus
Zinacef Danmark
ChemIDplus
cefuroxime
ChemIDplus
cefuroximo
ChemIDplus
cefuroximum
ChemIDplus
chebi_ontology
sulfate salts
sulfates
sulphate salts
sulphates
CHEBI:35175
sulfate salt
sulfate salts
ChEBI
sulfates
ChEBI
sulphate salts
ChEBI
sulphates
ChEBI
A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2].
terpene
terpenes
chebi_ontology
Terpen
terpenes
terpeno
terpenos
CHEBI:35186
terpene
terpene
IUPAC
terpenes
IUPAC
Terpen
ChEBI
terpenes
IUPAC
terpeno
IUPAC
terpenos
IUPAC
A C15 terpene.
sesquiterpenes
chebi_ontology
Sesquiterpen
sesquiterpenes
sesquiterpeno
sesquiterpenos
CHEBI:35189
sesquiterpene
sesquiterpenes
IUPAC
Sesquiterpen
ChEBI
sesquiterpenes
IUPAC
sesquiterpeno
IUPAC
sesquiterpenos
IUPAC
A C20 terpene.
diterpenes
chebi_ontology
Diterpen
diterpenes
diterpeno
diterpenos
CHEBI:35190
diterpene
diterpenes
IUPAC
Diterpen
ChEBI
diterpenes
IUPAC
diterpeno
IUPAC
diterpenos
IUPAC
A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
surfactant
chebi_ontology
surface active agent
surfactants
CHEBI:35195
surfactant
surfactant
IUPAC
surface active agent
IUPAC
surfactants
ChEBI
A depsipeptide in which the amino and hydroxy carboxylic acid residues are connected in a ring.
cyclodepsipeptides
chebi_ontology
Cyclodepsipeptid
Zyklodepsipeptid
CHEBI:35213
cyclodepsipeptide
cyclodepsipeptides
IUPAC
Cyclodepsipeptid
ChEBI
Zyklodepsipeptid
ChEBI
A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
Wikipedia:Antimetabolite
antimetabolite
chebi_ontology
antimetabolites
CHEBI:35221
antimetabolite
antimetabolite
IUPAC
antimetabolites
ChEBI
A substance that diminishes the rate of a chemical reaction.
inhibitor
chebi_ontology
inhibidor
inhibiteur
inhibitors
CHEBI:35222
inhibitor
inhibitor
IUPAC
inhibidor
ChEBI
inhibiteur
ChEBI
inhibitors
ChEBI
A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.
catalyst
chebi_ontology
Katalysator
catalizador
catalyseur
CHEBI:35223
catalyst
catalyst
IUPAC
Katalysator
ChEBI
catalizador
ChEBI
catalyseur
ChEBI
The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group.
amino acid zwitterion
chebi_ontology
CHEBI:35238
amino acid zwitterion
amino acid zwitterion
ChEBI
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of serine.
0
C3H7NO3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
MTCFGRXMJLQNBG-UHFFFAOYSA-N
105.09262
105.04259
[NH3+]C(CO)C([O-])=O
Beilstein:3935647
Gmelin:2060272
2-ammonio-3-hydroxypropanoate
serine zwitterion
chebi_ontology
CHEBI:35243
serine zwitterion
Beilstein:3935647
Beilstein
Gmelin:2060272
Gmelin
2-ammonio-3-hydroxypropanoate
IUPAC
serine zwitterion
IUPAC
A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.
+1
NR4
14.00670
14.00307
[*][N+]([*])([*])[*]
CHEBI:26470
CHEBI:8693
KEGG:C06703
quaternary ammonium ion
chebi_ontology
Quaternary amine
a quaternary ammonium
quaternary ammonium ions
CHEBI:35267
quaternary ammonium ion
quaternary ammonium ion
IUPAC
Quaternary amine
KEGG_COMPOUND
a quaternary ammonium
UniProt
quaternary ammonium ions
ChEBI
A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc).
chebi_ontology
ammonium ion derivatives
azanium ion derivative
azanium ion derivatives
CHEBI:35274
ammonium ion derivative
ammonium ion derivatives
ChEBI
azanium ion derivative
ChEBI
azanium ion derivatives
ChEBI
A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and a S atom bound to a carbon atom, thus creating a C-S bond.
CHEBI:22048
CHEBI:33577
S-glycosyl compound
chebi_ontology
S-glycoside
S-glycosides
S-glycosyl compounds
thioglycoside
thioglycosides
CHEBI:35275
S-glycosyl compound
S-glycosyl compound
ChEBI
S-glycoside
ChEBI
S-glycosides
ChEBI
S-glycosyl compounds
ChEBI
thioglycoside
JCBN
thioglycosides
JCBN
Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups.
azanium compounds
chebi_ontology
ammonium compounds
CHEBI:35276
ammonium compound
azanium compounds
IUPAC
ammonium compounds
ChEBI
ammonium compounds
IUPAC
Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom.
betaines
chebi_ontology
onium betaines
CHEBI:35281
onium betaine
betaines
IUPAC
onium betaines
ChEBI
chebi_ontology
iminium betaines
CHEBI:35285
iminium betaine
iminium betaines
ChEBI
Cations of structure R2C=N(+)R2.
iminium ion
chebi_ontology
iminium cations
iminium ions
CHEBI:35286
iminium ion
iminium ion
ChEBI
iminium cations
ChEBI
iminium ions
ChEBI
A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are adjacent to each other.
chebi_ontology
fused compounds
fused polycyclic compounds
fused-ring polycyclic compound
fused-ring polycyclic compounds
polycyclic fused-ring compounds
CHEBI:35293
fused compound
fused compounds
ChEBI
fused polycyclic compounds
ChEBI
fused-ring polycyclic compound
ChEBI
fused-ring polycyclic compounds
ChEBI
polycyclic fused-ring compounds
ChEBI
A polyclic compound in which all of the ring members are carbon atoms.
chebi_ontology
carbopolycyclic compounds
CHEBI:35294
carbopolycyclic compound
carbopolycyclic compounds
ChEBI
chebi_ontology
homopolycyclic compounds
CHEBI:35295
homopolycyclic compound
homopolycyclic compounds
ChEBI
chebi_ontology
ortho-fused polycyclic arenes
CHEBI:35296
ortho-fused polycyclic arene
ortho-fused polycyclic arenes
ChEBI
A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.
0
C10H8.(C4H2)n
Wikipedia:Acene
acene
acenes
chebi_ontology
Acen
Azen
polyacenes
CHEBI:35297
acene
acene
IUPAC
acenes
IUPAC
Acen
ChEBI
Azen
ChEBI
polyacenes
ChEBI
pentoside
chebi_ontology
pentosides
CHEBI:35312
pentoside
pentoside
ChEBI
pentosides
ChEBI
hexoside
chebi_ontology
hexosides
CHEBI:35313
hexoside
hexoside
ChEBI
hexosides
ChEBI
A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.
0
C16H17N3O4S
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
347.38900
347.09398
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O
Beilstein:965503
CAS:15686-71-2
DrugBank:DB00567
Drug_Central:571
HMDB:HMDB0014707
KEGG:C06895
KEGG:D00263
LINCS:LSM-5957
PMID:10930630
PMID:12569987
PMID:12833570
PMID:1384868
PMID:2083978
PMID:22559990
PMID:23061564
PMID:23457080
PMID:23545436
PMID:23688276
PMID:23811740
PMID:24268227
PMID:24548092
PMID:29017833
Patent:US3275626
Patent:US3507861
Reaxys:4238892
VSDB:1791
Wikipedia:Cefalexin
7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid
7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid
CEX
Cefalexin
Celexin
Cepastar
Cepexin
Cephacillin
Ceporexin
cefalexina
cefalexine
cefalexinum
CHEBI:3534
cephalexin
Beilstein:965503
Beilstein
CAS:15686-71-2
ChemIDplus
CAS:15686-71-2
KEGG COMPOUND
Drug_Central:571
DrugCentral
PMID:10930630
Europe PMC
PMID:12569987
Europe PMC
PMID:12833570
Europe PMC
PMID:1384868
Europe PMC
PMID:2083978
Europe PMC
PMID:22559990
Europe PMC
PMID:23061564
Europe PMC
PMID:23457080
Europe PMC
PMID:23545436
Europe PMC
PMID:23688276
Europe PMC
PMID:23811740
Europe PMC
PMID:24268227
Europe PMC
PMID:24548092
Europe PMC
PMID:29017833
Europe PMC
Reaxys:4238892
Reaxys
7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid
ChemIDplus
7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid
ChemIDplus
CEX
KEGG_DRUG
Cefalexin
KEGG_COMPOUND
Celexin
ChemIDplus
Cepastar
ChemIDplus
Cepexin
ChemIDplus
Cephacillin
ChemIDplus
Ceporexin
ChemIDplus
cefalexina
ChemIDplus
cefalexine
ChemIDplus
cefalexinum
ChemIDplus
Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene which is a triterpene.
0
C19H31R
259.450
259.24258
C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C
CHEBI:13687
CHEBI:26768
CHEBI:9263
KEGG:C00377
MetaCyc:Steroids
Steroid
steroids
chebi_ontology
a steroid
CHEBI:35341
steroid
Steroid
KEGG_COMPOUND
steroids
IUPAC
a steroid
UniProt
CHEBI:24748
CHEBI:5814
KEGG:C02159
chebi_ontology
Hydroxysteroid
hydroxy steroids
hydroxysteroids
CHEBI:35350
hydroxy steroid
Hydroxysteroid
KEGG_COMPOUND
hydroxy steroids
ChEBI
hydroxysteroids
ChEBI
Any heteroorganic entity containing at least one carbon-nitrogen bond.
organonitrogen compounds
chebi_ontology
organonitrogens
CHEBI:35352
organonitrogen compound
organonitrogen compounds
IUPAC
organonitrogens
ChEBI
An imide in which the two acyl substituents on nitrogen are carboacyl groups.
0
C2NO2R3
70.027
69.99290
[*]N(C([*])=O)C([*])=O
chebi_ontology
dicarboximides
CHEBI:35356
dicarboximide
dicarboximides
ChEBI
An amide of a sulfonic acid RS(=O)2NR'2.
0
NO2SR3
78.07100
77.96497
[*]S(=O)(=O)N([*])[*]
PMID:11498380
PMID:2434548
PMID:26811268
PMID:26832216
Wikipedia:Sulfonamide
sulfonamides
chebi_ontology
sulfonamides
CHEBI:35358
sulfonamide
PMID:11498380
Europe PMC
PMID:2434548
Europe PMC
PMID:26811268
Europe PMC
PMID:26832216
Europe PMC
sulfonamides
IUPAC
sulfonamides
ChEBI
Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom.
KEGG:C06060
carboxamidines
chebi_ontology
Amidines
carboxamidines
CHEBI:35359
carboxamidine
carboxamidines
IUPAC
Amidines
KEGG_COMPOUND
carboxamidines
ChEBI
Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).
hydrazides
chebi_ontology
hydrazides
CHEBI:35362
hydrazide
hydrazides
IUPAC
hydrazides
ChEBI
A hydrazide consisting of hydrazine carrying one or more carboacyl groups.
0
CN2OR4
56.024
56.00106
N(C(*)=O)(N(*)*)*
carbohydrazides
chebi_ontology
carbohydrazides
CHEBI:35363
carbohydrazide
carbohydrazides
IUPAC
carbohydrazides
ChEBI
Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids.
0
CHO2R
45.01740
44.99765
OC([*])=O
CHEBI:13633
CHEBI:24024
CHEBI:4984
KEGG:C00162
PMID:14287444
PMID:14300208
PMID:14328676
Wikipedia:Fatty_acid
Fatty acid
fatty acids
chebi_ontology
Fettsaeure
Fettsaeuren
acide gras
acides gras
acido graso
acidos grasos
fatty acids
CHEBI:35366
fatty acid
PMID:14287444
Europe PMC
PMID:14300208
Europe PMC
PMID:14328676
Europe PMC
Fatty acid
KEGG_COMPOUND
fatty acids
IUPAC
Fettsaeure
ChEBI
Fettsaeuren
ChEBI
acide gras
ChEBI
acides gras
ChemIDplus
acido graso
ChEBI
acidos grasos
ChEBI
fatty acids
ChEBI
Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group.
CHEBI:25407
CHEBI:6984
KEGG:C06698
Monosaccharide
monosaccharides
chebi_ontology
Monosaccharid
Monosacharid
monosacarido
monosacaridos
CHEBI:35381
monosaccharide
Monosaccharide
KEGG_COMPOUND
monosaccharides
IUPAC
Monosaccharid
ChEBI
Monosacharid
ChEBI
monosacarido
ChEBI
monosacaridos
IUPAC
An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen.
CHEBI:33274
CHEBI:33436
oxoanion
chebi_ontology
oxoacid anions
oxoanions
CHEBI:35406
oxoanion
oxoanion
ChEBI
oxoacid anions
ChEBI
oxoanions
ChEBI
A primary diamine is a compound derived from a hydrocarbon by replacing two hydrogen atoms by amino groups.
0
H4N2R
32.045
32.03745
N[*]N
CHEBI:26264
CHEBI:8408
KEGG:C02311
Primary diamine
primary diamines
chebi_ontology
primary diamines
CHEBI:35410
primary diamine
Primary diamine
KEGG_COMPOUND
primary diamines
IUPAC
primary diamines
ChEBI
A primary diamine that is ethane or a higher alkane in which a hydrogen of each of the terminal methyl groups has been replaced by an amino group. H2NCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc.
0
(CH2)n.C2H8N2
H4N2(CH2)n
CHEBI:10204
CHEBI:13775
CHEBI:13808
CHEBI:22316
CHEBI:2577
KEGG:C02896
KEGG:C03687
Alkane-alpha,omega-diamine
chebi_ontology
alkane-alpha,omega-diamines
alpha,omega-Diamine
CHEBI:35411
alkane-alpha,omega-diamine
Alkane-alpha,omega-diamine
KEGG_COMPOUND
alkane-alpha,omega-diamines
ChEBI
alpha,omega-Diamine
KEGG_COMPOUND
ortho-fused polycyclic hydrocarbon
chebi_ontology
ortho-fused polycyclic hydrocarbons
CHEBI:35427
ortho-fused polycyclic hydrocarbon
ortho-fused polycyclic hydrocarbon
ChEBI
ortho-fused polycyclic hydrocarbons
ChEBI
Any glucoside in which the glycoside group is derived from D-glucose.
0
C6H11O6R
179.148
179.05556
[C@@H]1(OC([C@H](O)[C@H]([C@@H]1O)O)O*)CO
CHEBI:21009
CHEBI:4173
KEGG:C01798
D-Glucoside
chebi_ontology
D-glucosides
a D-glucoside
CHEBI:35436
D-glucoside
D-Glucoside
KEGG_COMPOUND
D-glucosides
ChEBI
a D-glucoside
UniProt
A substance used in the prophylaxis or therapy of infectious diseases.
chebi_ontology
anti-infective agents
anti-infective drugs
antiinfective agents
antiinfective drug
CHEBI:35441
antiinfective agent
anti-infective agents
ChEBI
anti-infective drugs
ChEBI
antiinfective agents
ChEBI
antiinfective drug
ChEBI
A substance used to treat or prevent parasitic infections.
Wikipedia:Antiparasitic
chebi_ontology
antiparasitic drugs
antiparasitics
parasiticides
CHEBI:35442
antiparasitic agent
antiparasitic drugs
ChEBI
antiparasitics
ChEBI
parasiticides
ChEBI
Substance intended to kill parasitic worms (helminths).
anthelminthic
chebi_ontology
anthelminthics
anthelmintic
anthelmintics
antihelminth
antihelmintico
vermifuge
CHEBI:35443
anthelminthic drug
anthelminthic
IUPAC
anthelminthics
ChEBI
anthelmintic
IUPAC
anthelmintics
ChEBI
antihelminth
ChEBI
antihelmintico
ChEBI
vermifuge
ChEBI
A substance used in the treatment or control of nematode infestations.
chebi_ontology
antinematodal agent
antinematodal drugs
antinematodals
CHEBI:35444
antinematodal drug
antinematodal agent
ChEBI
antinematodal drugs
ChEBI
antinematodals
ChEBI
A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
chebi_ontology
CNS agent
CNS drugs
central nervous system agents
CHEBI:35470
central nervous system drug
CNS agent
ChEBI
CNS drugs
ChEBI
central nervous system agents
ChEBI
A substance that reduces or suppresses inflammation.
chebi_ontology
anti-inflammatory drugs
antiinflammatory agent
antiinflammatory drug
antiinflammatory drugs
CHEBI:35472
anti-inflammatory drug
anti-inflammatory drugs
ChEBI
antiinflammatory agent
ChEBI
antiinflammatory drug
ChEBI
antiinflammatory drugs
ChEBI
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
Wikipedia:Non-steroidal_anti-inflammatory_drug
chebi_ontology
NSAID
NSAIDs
non-steroidal anti-inflammatory agent
non-steroidal anti-inflammatory drugs
CHEBI:35475
non-steroidal anti-inflammatory drug
NSAID
ChEBI
NSAIDs
ChEBI
non-steroidal anti-inflammatory agent
ChEBI
non-steroidal anti-inflammatory drugs
ChEBI
chebi_ontology
alkali metal salts
CHEBI:35479
alkali metal salt
alkali metal salts
ChEBI
A loosely defined group of drugs that tend to reduce the activity of the central nervous system.
chebi_ontology
CNS depressants
central nervous system depressants
CHEBI:35488
central nervous system depressant
CNS depressants
ChEBI
central nervous system depressants
ChEBI
Compounds of structure RSSR in which R and R' are organic groups.
0
S2R2
64.13000
63.94414
[*]SS[*]
disulfides
chebi_ontology
an organic disulfide
organic disulfides
CHEBI:35489
organic disulfide
disulfides
IUPAC
an organic disulfide
UniProt
organic disulfides
ChEBI
Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.
chebi_ontology
CHEBI:35496
fluorobenzenes
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
Wikipedia:Antiandrogen
chebi_ontology
antiandrogen
CHEBI:35497
androgen antagonist
antiandrogen
ChEBI
An agent that promotes the excretion of urine through its effects on kidney function.
chebi_ontology
diuretics
CHEBI:35498
diuretic
diuretics
ChEBI
natural product fundamental parents
chebi_ontology
CHEBI:35507
natural product fundamental parent
natural product fundamental parents
IUPAC
chebi_ontology
steroid fundamental parents
CHEBI:35508
steroid fundamental parent
steroid fundamental parents
ChEBI
The 5alpha-stereoisomer of cholestane.
0
C27H48
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
XIIAYQZJNBULGD-XWLABEFZSA-N
372.67002
372.37560
[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCCC(C)C
CHEBI:20650
Beilstein:2051806
CAS:481-21-0
HMDB:HMDB0041632
Reaxys:2051806
5alpha-cholestane
chebi_ontology
(5alpha)-cholestane
alpha-cholestane
CHEBI:35515
5alpha-cholestane
Beilstein:2051806
Beilstein
CAS:481-21-0
ChemIDplus
CAS:481-21-0
NIST Chemistry WebBook
Reaxys:2051806
Reaxys
5alpha-cholestane
IUPAC
(5alpha)-cholestane
NIST_Chemistry_WebBook
alpha-cholestane
NIST_Chemistry_WebBook
0
C27H48
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
XIIAYQZJNBULGD-LDHZKLTISA-N
372.67002
372.37560
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Beilstein:5334741
CAS:14982-53-7
LIPID_MAPS_instance:LMST01010000
Wikipedia:Cholestane
cholestane
chebi_ontology
CHEBI:35516
cholestane
Beilstein:5334741
Beilstein
CAS:14982-53-7
ChemIDplus
CAS:14982-53-7
NIST Chemistry WebBook
LIPID_MAPS_instance:LMST01010000
LIPID MAPS
cholestane
IUPAC
A drug which lowers the blood glucose level.
chebi_ontology
anti-hyperglycemic agent
anti-hyperglycemic agents
antidiabetic
antihyperglycemic
antihyperglycemic agent
antihyperglycemic agents
antihyperglycemic drug
antihyperglycemic drugs
antihyperglycemics
hypoglycemic agents
hypoglycemic drug
hypoglycemic drugs
CHEBI:35526
hypoglycemic agent
anti-hyperglycemic agent
ChEBI
anti-hyperglycemic agents
ChEBI
antidiabetic
ChEBI
antihyperglycemic
ChEBI
antihyperglycemic agent
ChEBI
antihyperglycemic agents
ChEBI
antihyperglycemic drug
ChEBI
antihyperglycemic drugs
ChEBI
antihyperglycemics
ChEBI
hypoglycemic agents
ChEBI
hypoglycemic drug
ChEBI
hypoglycemic drugs
ChEBI
0
C2H3N3
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
NSPMIYGKQJPBQR-UHFFFAOYSA-N
69.06544
69.03270
c1nc[nH]n1
Beilstein:104767
CAS:288-88-0
Gmelin:122679
1H-1,2,4-triazole
chebi_ontology
s-Triazole
CHEBI:35550
1H-1,2,4-triazole
Beilstein:104767
Beilstein
CAS:288-88-0
NIST Chemistry WebBook
Gmelin:122679
Gmelin
1H-1,2,4-triazole
IUPAC
s-Triazole
NIST_Chemistry_WebBook
heterocyclic parent hydrides
chebi_ontology
heterocyclic fundamental parent
heterocyclic organic fundamental parents
organic heterocyclic fundamental parents
CHEBI:35552
heterocyclic organic fundamental parent
heterocyclic parent hydrides
IUPAC
heterocyclic fundamental parent
ChEBI
heterocyclic organic fundamental parents
ChEBI
organic heterocyclic fundamental parents
ChEBI
A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
chebi_ontology
cardiovascular agent
cardiovascular drugs
CHEBI:35554
cardiovascular drug
cardiovascular agent
ChEBI
cardiovascular drugs
ChEBI
chebi_ontology
mancude organic heteromonocyclic parents
mancude-ring organic heteromonocyclic parents
CHEBI:35555
mancude organic heteromonocyclic parent
mancude organic heteromonocyclic parents
ChEBI
mancude-ring organic heteromonocyclic parents
ChEBI
0
C2H3N3
69.065
69.03270
DrugBank:DB03594
1,2,4-triazole
chebi_ontology
CHEBI:35560
1,2,4-triazole
1,2,4-triazole
IUPAC
0
C2H3N3
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2
FFGRBWANQMLTQI-UHFFFAOYSA-N
69.06544
69.03270
C1N=CN=N1
Beilstein:506536
Gmelin:362238
3H-1,2,4-triazole
chebi_ontology
CHEBI:35561
3H-1,2,4-triazole
Beilstein:506536
Beilstein
Gmelin:362238
Gmelin
3H-1,2,4-triazole
IUPAC
Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds.
mancude-ring systems
chebi_ontology
mancude rings
mancunide-ring systems
CHEBI:35568
mancude ring
mancude-ring systems
IUPAC
mancude rings
ChEBI
mancunide-ring systems
IUPAC
chebi_ontology
mancude organic heterobicyclic parents
mancude-ring organic heterobicyclic parents
CHEBI:35570
mancude organic heterobicyclic parent
mancude organic heterobicyclic parents
ChEBI
mancude-ring organic heterobicyclic parents
ChEBI
chebi_ontology
mancude organic heterocyclic parents
mancude-ring organic heterocyclic parents
CHEBI:35571
mancude organic heterocyclic parent
mancude organic heterocyclic parents
ChEBI
mancude-ring organic heterocyclic parents
ChEBI
chebi_ontology
organic mancude parents
organic mancude-ring parents
CHEBI:35573
organic mancude parent
organic mancude parents
ChEBI
organic mancude-ring parents
ChEBI
A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n.
carbon oxoanion
chebi_ontology
carbon oxoanions
oxocarbon anion
oxocarbon anions
CHEBI:35604
carbon oxoanion
carbon oxoanion
ChEBI
carbon oxoanions
ChEBI
oxocarbon anion
ChEBI
oxocarbon anions
ChEBI
chebi_ontology
carbon oxoacids
oxoacids of carbon
CHEBI:35605
carbon oxoacid
carbon oxoacids
ChEBI
oxoacids of carbon
ChEBI
A substance that inhibits or prevents the proliferation of neoplasms.
chebi_ontology
anticancer agent
anticancer agents
antineoplastic
antineoplastic agents
cytostatic
CHEBI:35610
antineoplastic agent
anticancer agent
ChEBI
anticancer agents
ChEBI
antineoplastic
ChEBI
antineoplastic agents
ChEBI
cytostatic
ChEBI
Any ether in which the oxygen is attached to at least one aryl substituent.
chebi_ontology
CHEBI:35618
aromatic ether
A drug used to cause dilation of the blood vessels.
chebi_ontology
vasodilator
vasodilator agents
CHEBI:35620
vasodilator agent
vasodilator
ChEBI
vasodilator agents
ChEBI
chebi_ontology
thiazolidine
CHEBI:35622
thiazolidines
thiazolidine
ChEBI
A drug used to prevent seizures or reduce their severity.
chebi_ontology
Antiepileptika
Antiepileptikum
Antikonvulsiva
Antikonvulsivum
anti-convulsant
anti-convulsants
anti-convulsive agent
anti-convulsive agents
anticonvulsants
anticonvulsive agent
anticonvulsive agents
antiepileptic
antiepileptics
antiepileptique
antiepileptiques
CHEBI:35623
anticonvulsant
Antiepileptika
ChEBI
Antiepileptikum
ChEBI
Antikonvulsiva
ChEBI
Antikonvulsivum
ChEBI
anti-convulsant
ChEBI
anti-convulsants
ChEBI
anti-convulsive agent
ChEBI
anti-convulsive agents
ChEBI
anticonvulsants
ChEBI
anticonvulsive agent
ChEBI
anticonvulsive agents
ChEBI
antiepileptic
ChEBI
antiepileptics
ChEBI
antiepileptique
ChEBI
antiepileptiques
ChEBI
An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of beta-lactamase (EC 3.5.2.6).
chebi_ontology
EC 3.5.2.6 (beta-lactamase) inhibitors
EC 3.5.2.6 inhibitor
EC 3.5.2.6 inhibitors
ampicillinase inhibitor
ampicillinase inhibitors
beta-lactam hydrolase inhibitor
beta-lactam hydrolase inhibitors
beta-lactamase (EC 3.5.2.6) inhibitor
beta-lactamase (EC 3.5.2.6) inhibitors
beta-lactamase A, B, C inhibitor
beta-lactamase A, B, C inhibitors
beta-lactamase AME I inhibitor
beta-lactamase AME I inhibitors
beta-lactamase I-III inhibitor
beta-lactamase I-III inhibitors
beta-lactamase inhibitor
beta-lactamase inhibitors
cephalosporin-beta-lactamase inhibitor
cephalosporin-beta-lactamase inhibitors
cephalosporinase inhibitor
cephalosporinase inhibitors
exopenicillinase inhibitor
exopenicillinase inhibitors
neutrapen inhibitor
neutrapen inhibitors
penicillin amido-beta-lactamhydrolase inhibitor
penicillin amido-beta-lactamhydrolase inhibitors
penicillin beta-lactamase inhibitor
penicillin beta-lactamase inhibitors
penicillinase I, II inhibitor
penicillinase I, II inhibitors
penicillinase inhibitor
penicillinase inhibitors
CHEBI:35625
EC 3.5.2.6 (beta-lactamase) inhibitor
EC 3.5.2.6 (beta-lactamase) inhibitors
ChEBI
EC 3.5.2.6 inhibitor
ChEBI
EC 3.5.2.6 inhibitors
ChEBI
ampicillinase inhibitor
ChEBI
ampicillinase inhibitors
ChEBI
beta-lactam hydrolase inhibitor
ChEBI
beta-lactam hydrolase inhibitors
ChEBI
beta-lactamase (EC 3.5.2.6) inhibitor
ChEBI
beta-lactamase (EC 3.5.2.6) inhibitors
ChEBI
beta-lactamase A, B, C inhibitor
ChEBI
beta-lactamase A, B, C inhibitors
ChEBI
beta-lactamase AME I inhibitor
ChEBI
beta-lactamase AME I inhibitors
ChEBI
beta-lactamase I-III inhibitor
ChEBI
beta-lactamase I-III inhibitors
ChEBI
beta-lactamase inhibitor
ChEBI
beta-lactamase inhibitors
ChEBI
cephalosporin-beta-lactamase inhibitor
ChEBI
cephalosporin-beta-lactamase inhibitors
ChEBI
cephalosporinase inhibitor
ChEBI
cephalosporinase inhibitors
ChEBI
exopenicillinase inhibitor
ChEBI
exopenicillinase inhibitors
ChEBI
neutrapen inhibitor
ChEBI
neutrapen inhibitors
ChEBI
penicillin amido-beta-lactamhydrolase inhibitor
ChEBI
penicillin amido-beta-lactamhydrolase inhibitors
ChEBI
penicillin beta-lactamase inhibitor
ChEBI
penicillin beta-lactamase inhibitors
ChEBI
penicillinase I, II inhibitor
ChEBI
penicillinase I, II inhibitors
ChEBI
penicillinase inhibitor
ChEBI
penicillinase inhibitors
ChEBI
A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.
0
C3H2NOR3
68.054
68.01364
C1(C(N(*)C1*)=O)*
CHEBI:10426
CHEBI:13203
CHEBI:22845
KEGG:C01866
Wikipedia:Beta-lactam
beta-Lactam
chebi_ontology
a beta-lactam
beta-lactams
CHEBI:35627
beta-lactam
beta-Lactam
KEGG_COMPOUND
a beta-lactam
UniProt
beta-lactams
ChEBI
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
Wikipedia:Antihypertensive_drug
chebi_ontology
antihypertensive
antihypertensive agents
antihypertensive drug
antihypertensive drugs
CHEBI:35674
antihypertensive agent
antihypertensive
ChEBI
antihypertensive agents
ChEBI
antihypertensive drug
ChEBI
antihypertensive drugs
ChEBI
A substance used to treat hyperlipidemia (an excess of lipids in the blood).
Wikipedia:Hypolipidemic_agent
chebi_ontology
antihyperlipemic
antihyperlipemics
antihyperlipidaemic agent
antihyperlipidaemic agents
antihyperlipidaemic drug
antihyperlipidaemic drugs
antihyperlipidemic
antihyperlipidemic agent
antihyperlipidemic agents
antihyperlipidemic drug
antihyperlipidemic drugs
antihyperlipidemics
antilipemic
antilipemic drugs
antilipemics
hypolipidemic agent
hypolipidemic agents
lipid-lowering agent
lipid-lowering agents
lipid-lowering drug
lipid-lowering drugs
CHEBI:35679
antilipemic drug
antihyperlipemic
ChEBI
antihyperlipemics
ChEBI
antihyperlipidaemic agent
ChEBI
antihyperlipidaemic agents
ChEBI
antihyperlipidaemic drug
ChEBI
antihyperlipidaemic drugs
ChEBI
antihyperlipidemic
ChEBI
antihyperlipidemic agent
ChEBI
antihyperlipidemic agents
ChEBI
antihyperlipidemic drug
ChEBI
antihyperlipidemic drugs
ChEBI
antihyperlipidemics
ChEBI
antilipemic
ChEBI
antilipemic drugs
ChEBI
antilipemics
ChEBI
hypolipidemic agent
ChEBI
hypolipidemic agents
ChEBI
lipid-lowering agent
ChEBI
lipid-lowering agents
ChEBI
lipid-lowering drug
ChEBI
lipid-lowering drugs
ChEBI
A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
0
CH2OR2
30.026
30.01056
*C(*)O
CHEBI:13425
CHEBI:13686
CHEBI:26617
CHEBI:58662
CHEBI:8741
CHEBI:9077
KEGG:C00432
KEGG:C01612
Secondary alcohol
chebi_ontology
R-CHOH-R'
a secondary alcohol
secondary alcohols
CHEBI:35681
secondary alcohol
Secondary alcohol
KEGG_COMPOUND
R-CHOH-R'
KEGG_COMPOUND
a secondary alcohol
UniProt
secondary alcohols
ChEBI
An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom.
chebi_ontology
CHEBI:35689
tetrazoles
Any carboxylic acid containing two carboxy groups.
CHEBI:23692
CHEBI:36172
CHEBI:4501
KEGG:C02028
Dicarboxylic acid
chebi_ontology
dicarboxylic acids
CHEBI:35692
dicarboxylic acid
Dicarboxylic acid
KEGG_COMPOUND
dicarboxylic acids
ChEBI
dicarboxylic acid anion
chebi_ontology
dicarboxylic acid anions
CHEBI:35693
dicarboxylic acid anion
dicarboxylic acid anion
ChEBI
dicarboxylic acid anions
ChEBI
Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid.
chebi_ontology
dicarboxylic acid monoanions
CHEBI:35695
dicarboxylic acid monoanion
dicarboxylic acid monoanions
ChEBI
A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter.
CHEBI:23960
CHEBI:4859
KEGG:C00287
Wikipedia:Ester
Ester
chebi_ontology
esters
CHEBI:35701
ester
Ester
KEGG_COMPOUND
esters
ChEBI
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
CHEBI:10074
CHEBI:27333
KEGG:C06708
Wikipedia:Xenobiotic
Xenobiotic
xenobiotic
xenobiotics
chebi_ontology
xenobiotic compounds
CHEBI:35703
xenobiotic
Xenobiotic
KEGG_COMPOUND
xenobiotic
IUPAC
xenobiotics
IUPAC
xenobiotic compounds
ChEBI
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
chebi_ontology
immunosuppressant
immunosuppressive agents
inmunosupresor
CHEBI:35705
immunosuppressive agent
immunosuppressant
ChEBI
immunosuppressive agents
ChEBI
inmunosupresor
ChEBI
A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied).
nitro compounds
chebi_ontology
CHEBI:35715
nitro compound
nitro compounds
IUPAC
A nitro compound having the nitro group (-NO2) attached to a carbon atom.
C-nitro compounds
chebi_ontology
CHEBI:35716
C-nitro compound
C-nitro compounds
IUPAC
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
chebi_ontology
antifungal
antifungal agents
antifungal drug
antifungal drugs
antifungals
CHEBI:35718
antifungal agent
antifungal
ChEBI
antifungal agents
ChEBI
antifungal drug
ChEBI
antifungal drugs
ChEBI
antifungals
ChEBI
A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets.
0
C19H22FN3O3
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
SPFYMRJSYKOXGV-UHFFFAOYSA-N
359.395
359.16452
C1=C(C(=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)F)N4CCN(CC4)CC
CAS:93106-60-6
Drug_Central:1017
HMDB:HMDB0029861
KEGG:D02473
LINCS:LSM-3709
PMID:15967281
PMID:19376344
PMID:24380725
PMID:26963935
PMID:8828132
Patent:KR20130080422
Patent:RU2491922
Patent:US4659603
Reaxys:5307824
VSDB:1762
Wikipedia:Enrofloxacin
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Enrofloxacin
chebi_ontology
Baytril
CHEBI:35720
enrofloxacin
CAS:93106-60-6
ChemIDplus
Drug_Central:1017
DrugCentral
PMID:15967281
Europe PMC
PMID:19376344
Europe PMC
PMID:24380725
Europe PMC
PMID:26963935
Europe PMC
PMID:8828132
Europe PMC
Reaxys:5307824
Reaxys
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC
Enrofloxacin
ChemIDplus
Baytril
ChemIDplus
An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.
chebi_ontology
triazole compounds
CHEBI:35727
triazoles
triazole compounds
ChEBI
A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated.
-1
CO2R
44.01000
43.98983
[O-]C([*])=O
CHEBI:13657
CHEBI:25382
CHEBI:3407
KEGG:C00060
chebi_ontology
Carboxylate
Monocarboxylate
a monocarboxylate
monocarboxylates
monocarboxylic acid anions
CHEBI:35757
monocarboxylic acid anion
Carboxylate
KEGG_COMPOUND
Monocarboxylate
KEGG_COMPOUND
a monocarboxylate
UniProt
monocarboxylates
ChEBI
monocarboxylic acid anions
ChEBI
A phosphorus oxoanion that is the conjugate base of phosphoric acid.
chebi_ontology
Pi
phosphate
phosphate ions
CHEBI:35780
phosphate ion
Pi
ChEBI
phosphate
ChEBI
phosphate ions
ChEBI
Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.
LIPID_MAPS_class:LMSP01
sphingoid
chebi_ontology
Spd
sphingoid base
sphingoid bases
sphingoids
CHEBI:35785
sphingoid
LIPID_MAPS_class:LMSP01
LIPID MAPS
sphingoid
CBN
Spd
CBN
sphingoid base
CBN
sphingoid bases
LIPID_MAPS
sphingoids
ChEBI
An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.
oxazole
chebi_ontology
oxazoles
CHEBI:35790
oxazole
oxazole
ChEBI
oxazoles
ChEBI
A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions.
chebi_ontology
leprostatic
leprostatic agent
leprostatic drugs
CHEBI:35816
leprostatic drug
leprostatic
ChEBI
leprostatic agent
ChEBI
leprostatic drugs
ChEBI
Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids.
CHEBI:22919
CHEBI:3166
KEGG:C05996
PMID:18318842
chebi_ontology
BCFA
BCFAs
Branched chain fatty acid
branched fatty acid
branched fatty acids
branched-chain fatty acids
CHEBI:35819
branched-chain fatty acid
PMID:18318842
Europe PMC
BCFA
ChEBI
BCFAs
ChEBI
Branched chain fatty acid
KEGG_COMPOUND
branched fatty acid
ChEBI
branched fatty acids
ChEBI
branched-chain fatty acids
ChEBI
Any antimicrobial drug which is used to treat or prevent protozoal infections.
Wikipedia:Antiprotozoal_agent
chebi_ontology
antiprotozoal agent
antiprotozoal agents
antiprotozoal drugs
CHEBI:35820
antiprotozoal drug
antiprotozoal agent
ChEBI
antiprotozoal agents
ChEBI
antiprotozoal drugs
ChEBI
A drug used to treat rheumatoid arthritis.
chebi_ontology
anti-rheumatic drugs
antirheumatic agent
antirheumatic drugs
CHEBI:35842
antirheumatic drug
anti-rheumatic drugs
ChEBI
antirheumatic agent
ChEBI
antirheumatic drugs
ChEBI
An organosulfur compound having the structure RS(=O)2R (R =/= H).
sulfone
chebi_ontology
sulfones
CHEBI:35850
sulfone
sulfone
ChEBI
sulfones
ChEBI
A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.
chebi_ontology
lipooxygenase inhibitor
lipoxygenase inhibitors
CHEBI:35856
lipoxygenase inhibitor
lipooxygenase inhibitor
ChEBI
lipoxygenase inhibitors
ChEBI
A homodetic cyclic peptide consisting of (4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid attached head-to-tail to L-leucyl,D-glutamyl, L-lysyl, D-ornityl, L-isoleucyl, D-phenylalanyl, L-histidyl. D-aspartyl and L-asparaginyl residues coupled in sequence and cyclised by condensation of the side-chain amino group of the L-lysyl residue with the C-terminal carboxylic acid group. It is the major component of bacitracin.
0
C66H103N17O16S
InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1
CLKOFPXJLQSYAH-ABRJDSQDSA-N
1422.69300
1421.74894
CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC
CAS:22601-59-8
KEGG:C15482
Reaxys:8969478
N-({(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl}carbonyl)-L-leucyl-D-alpha-glutamyl-N-[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide
chebi_ontology
Bacitracin A2a
Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-l-leucine)-
CHEBI:35862
bacitracin A
CAS:22601-59-8
ChemIDplus
CAS:22601-59-8
KEGG COMPOUND
Reaxys:8969478
Reaxys
N-({(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl}carbonyl)-L-leucyl-D-alpha-glutamyl-N-[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide
IUPAC
Bacitracin A2a
ChemIDplus
Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-l-leucine)-
ChemIDplus
Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent.
chebi_ontology
hydroxy acid
hydroxy monocarboxylic acids
CHEBI:35868
hydroxy monocarboxylic acid
hydroxy acid
ChEBI
hydroxy monocarboxylic acids
ChEBI
Any monocarboxylic acid having at least one additional oxo functional group.
chebi_ontology
oxo monocarboxylic acids
CHEBI:35871
oxo monocarboxylic acid
oxo monocarboxylic acids
ChEBI
chebi_ontology
imidazopyrimidines
CHEBI:35875
imidazopyrimidine
imidazopyrimidines
ChEBI
pnictogen hydride
chebi_ontology
pnictogen hydrides
CHEBI:35881
pnictogen hydride
pnictogen hydride
ChEBI
pnictogen hydrides
ChEBI
CHEBI:35178
CHEBI:35901
chebi_ontology
oxo monocarboxylic acid anions
CHEBI:35902
oxo monocarboxylic acid anion
oxo monocarboxylic acid anions
ChEBI
Any carboxylic acid anion containing at least one oxo group.
chebi_ontology
oxo carboxylic acid anions
CHEBI:35903
oxo carboxylic acid anion
oxo carboxylic acid anions
ChEBI
A steroid ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of a sterol.
0
C20H30O2R2
302.452
302.22458
C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)OC(*)=O)C
CHEBI:13220
CHEBI:15115
CHEBI:26770
CHEBI:26772
CHEBI:9268
CHEBI:9269
KEGG:C01958
Sterol ester
chebi_ontology
3-hydroxysteroid ester
3-hydroxysteroid esters
Steryl ester
a sterol ester
CHEBI:35915
sterol ester
Sterol ester
KEGG_COMPOUND
3-hydroxysteroid ester
ChEBI
3-hydroxysteroid esters
ChEBI
Steryl ester
KEGG_COMPOUND
a sterol ester
UniProt
A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
chebi_ontology
neurotransmitter agents
CHEBI:35942
neurotransmitter agent
neurotransmitter agents
ChEBI
An oxo monocarboxylic acid anion having the oxo group located at the 3-position (R = H or organyl group).
-1
C3H2O3R
86.046
86.00039
C(C([O-])=O)C(*)=O
chebi_ontology
3-oxo monocarboxylic acid anions
a 3-oxo acid
CHEBI:35973
3-oxo monocarboxylic acid anion
3-oxo monocarboxylic acid anions
ChEBI
a 3-oxo acid
UniProt
chebi_ontology
7-oxo monocarboxylic acids
CHEBI:35983
7-oxo monocarboxylic acid
7-oxo monocarboxylic acids
ChEBI
Natural and synthetic antibiotics containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure, generally assumed to have the 5R configuration unless otherwise specified.
penams
chebi_ontology
CHEBI:35992
penams
penams
IUPAC
Any stilbenoid with at least one phenolic group.
stilbenol
chebi_ontology
CHEBI:36027
stilbenol
stilbenol
ChEBI
A drug used to treat or prevent microbial infections.
chebi_ontology
antimicrobial drugs
CHEBI:36043
antimicrobial drug
antimicrobial drugs
ChEBI
A drug used to treat or prevent bacterial infections.
Wikipedia:Antibacterial
chebi_ontology
antibacterial drugs
CHEBI:36047
antibacterial drug
antibacterial drugs
ChEBI
Any monocarboxylic acid anion carrying at least one hydroxy substituent.
chebi_ontology
hydroxy monocarboxylic acid anions
hydroxymonocarboxylic acid anion
hydroxymonocarboxylic acid anions
CHEBI:36059
hydroxy monocarboxylic acid anion
hydroxy monocarboxylic acid anions
ChEBI
hydroxymonocarboxylic acid anion
ChEBI
hydroxymonocarboxylic acid anions
ChEBI
A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome.
CHEBI:13677
CHEBI:14911
proteins
chebi_ontology
CHEBI:36080
protein
proteins
IUPAC
chebi_ontology
inorganic chloride salt
inorganic chloride salts
inorganic chlorides
CHEBI:36093
inorganic chloride
inorganic chloride salt
ChEBI
inorganic chloride salts
ChEBI
inorganic chlorides
ChEBI
Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
CHEBI:13684
CHEBI:26517
Wikipedia:Quinone
quinone
quinones
chebi_ontology
Chinon
quinones
CHEBI:36141
quinone
quinone
IUPAC
quinones
IUPAC
Chinon
ChEBI
quinones
ChEBI
A compound in which two monosaccharides are joined by a glycosidic bond.
CHEBI:23844
CHEBI:4654
KEGG:C01911
Disaccharide
disaccharides
chebi_ontology
Disaccharid
Disacharid
disacarido
disacaridos
CHEBI:36233
disaccharide
Disaccharide
KEGG_COMPOUND
disaccharides
IUPAC
Disaccharid
ChEBI
Disacharid
ChEBI
disacarido
ChEBI
disacaridos
IUPAC
A monoester of a dicarboxylic acid.
chebi_ontology
dicarboxylic acid monoesters
CHEBI:36244
dicarboxylic acid monoester
dicarboxylic acid monoesters
ChEBI
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
chebi_ontology
antitrypanosomal agent
antitrypanosomal agents
antitrypanosomal drug
antitrypanosomal drugs
trypanocidal drugs
trypanocide
trypanosomicidal agents
CHEBI:36335
trypanocidal drug
antitrypanosomal agent
ChEBI
antitrypanosomal agents
ChEBI
antitrypanosomal drug
ChEBI
antitrypanosomal drugs
ChEBI
trypanocidal drugs
ChEBI
trypanocide
ChEBI
trypanosomicidal agents
ChEBI
chebi_ontology
naphthalenesulfonic acids
CHEBI:36336
naphthalenesulfonic acid
naphthalenesulfonic acids
ChEBI
Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin).
chebi_ontology
leptons
CHEBI:36338
lepton
leptons
ChEBI
Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy).
chebi_ontology
baryons
CHEBI:36339
baryon
baryons
ChEBI
Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi.
fermion
chebi_ontology
fermions
CHEBI:36340
fermion
fermion
IUPAC
fermions
ChEBI
A particle smaller than an atom.
Wikipedia:Subatomic_particle
chebi_ontology
subatomic particles
CHEBI:36342
subatomic particle
subatomic particles
ChEBI
A subatomic particle known to have substructure (i.e. consisting of smaller particles).
chebi_ontology
composite particles
CHEBI:36343
composite particle
composite particles
ChEBI
Hadron is a subatomic particle which experiences the strong force.
chebi_ontology
hadrons
CHEBI:36344
hadron
hadrons
ChEBI
A nucleus or any of its constituents in any of their energy states.
nuclear particle
chebi_ontology
CHEBI:36347
nuclear particle
nuclear particle
IUPAC
Any molecular entity consisting of more than one atom.
chebi_ontology
polyatomic entities
CHEBI:36357
polyatomic entity
polyatomic entities
ChEBI
An ion consisting of more than one atom.
chebi_ontology
polyatomic ions
CHEBI:36358
polyatomic ion
polyatomic ions
ChEBI
phosphorus oxoacid derivative
chebi_ontology
CHEBI:36359
phosphorus oxoacid derivative
phosphorus oxoacid derivative
ChEBI
chebi_ontology
CHEBI:36360
phosphorus oxoacids and derivatives
0
H3O3P
InChI=1S/H3O3P/c1-4(2)3/h1-3H
OJMIONKXNSYLSR-UHFFFAOYSA-N
81.99578
81.98198
[H]OP(O[H])O[H]
CHEBI:26081
CHEBI:29196
CAS:10294-56-1
Gmelin:164068
phosphorous acid
trihydrogen trioxophosphate(3-)
trihydroxidophosphorus
trioxophosphoric(3-) acid
chebi_ontology
H3PO3
P(OH)3
[P(OH)3]
phosphite
phosphorige Saeure
CHEBI:36361
phosphorous acid
CAS:10294-56-1
ChemIDplus
CAS:10294-56-1
NIST Chemistry WebBook
Gmelin:164068
Gmelin
phosphorous acid
IUPAC
trihydrogen trioxophosphate(3-)
IUPAC
trihydroxidophosphorus
IUPAC
trioxophosphoric(3-) acid
IUPAC
H3PO3
IUPAC
H3PO3
NIST_Chemistry_WebBook
P(OH)3
IUPAC
[P(OH)3]
IUPAC
phosphite
UniProt
phosphorige Saeure
ChEBI
An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis.
0
C2H2Cl2O2
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
JXTHNDFMNIQAHM-UHFFFAOYSA-N
128.94148
127.94318
OC(=O)C(Cl)Cl
CHEBI:23695
CHEBI:4502
CHEBI:49918
Beilstein:1098596
CAS:79-43-6
DrugBank:DB08809
Drug_Central:862
Gmelin:2477
KEGG:C11149
LINCS:LSM-5314
MetaCyc:CPD-9674
PDBeChem:TF4
PMID:24112699
Reaxys:1098596
Wikipedia:Dichloroacetic_acid
dichloroacetic acid
chebi_ontology
2,2-dichloroacetic acid
DICHLORO-ACETIC ACID
Dichloressigsaeure
Dichloroacetate
bichloracetic acid
dichloracetic acid
CHEBI:36386
dichloroacetic acid
Beilstein:1098596
ChemIDplus
CAS:79-43-6
ChemIDplus
CAS:79-43-6
KEGG COMPOUND
CAS:79-43-6
NIST Chemistry WebBook
Drug_Central:862
DrugCentral
Gmelin:2477
Gmelin
PMID:24112699
Europe PMC
Reaxys:1098596
Reaxys
dichloroacetic acid
IUPAC
2,2-dichloroacetic acid
ChemIDplus
DICHLORO-ACETIC ACID
PDBeChem
Dichloressigsaeure
ChEBI
Dichloroacetate
KEGG_COMPOUND
bichloracetic acid
NIST_Chemistry_WebBook
dichloracetic acid
NIST_Chemistry_WebBook
chebi_ontology
saturated heterocyclic parent hydride
saturated heterocyclic parent hydrides
saturated organic heterocyclic parents
CHEBI:36388
saturated organic heterocyclic parent
saturated heterocyclic parent hydride
ChEBI
saturated heterocyclic parent hydrides
ChEBI
saturated organic heterocyclic parents
ChEBI
chebi_ontology
saturated heteromonocyclic parent hydride
saturated heteromonocyclic parent hydrides
saturated organic heteromonocyclic parents
CHEBI:36389
saturated organic heteromonocyclic parent
saturated heteromonocyclic parent hydride
ChEBI
saturated heteromonocyclic parent hydrides
ChEBI
saturated organic heteromonocyclic parents
ChEBI
A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.
0
C8Cl4N2
InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
CRQQGFGUEAVUIL-UHFFFAOYSA-N
265.90988
263.88156
Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl
Beilstein:1978326
CAS:1897-45-6
KEGG:C11037
PMID:11016668
PMID:14575671
PMID:17482661
PMID:23116300
PMID:23866729
PMID:24455968
PMID:24984836
PMID:24990551
PPDB:150
Patent:US3290353
Patent:US3652637
Pesticides:chlorothalonil
Reaxys:1978326
Wikipedia:Chlorothalonil
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Chlorothalonil
chlorothalonil
chebi_ontology
1,3-Dicyanotetrachlorobenzene
2,4,5,6-Tetrachloro-3-cyanobenzonitrile
Daconil
TPN
Tetrachloroisophthalonitrile
m-TCPN
m-Tetrachlorophthalonitrile
meta-TCPN
meta-Tetrachlorophthalodinitrile
CHEBI:3639
chlorothalonil
Beilstein:1978326
Beilstein
CAS:1897-45-6
KEGG COMPOUND
CAS:1897-45-6
NIST Chemistry WebBook
PMID:11016668
Europe PMC
PMID:14575671
Europe PMC
PMID:17482661
Europe PMC
PMID:23116300
Europe PMC
PMID:23866729
Europe PMC
PMID:24455968
Europe PMC
PMID:24984836
Europe PMC
PMID:24990551
Europe PMC
Pesticides:chlorothalonil
Alan Wood's Pesticides
Reaxys:1978326
Reaxys
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
IUPAC
Chlorothalonil
KEGG_COMPOUND
chlorothalonil
UniProt
1,3-Dicyanotetrachlorobenzene
ChemIDplus
2,4,5,6-Tetrachloro-3-cyanobenzonitrile
ChemIDplus
Daconil
KEGG_COMPOUND
TPN
KEGG_COMPOUND
Tetrachloroisophthalonitrile
KEGG_COMPOUND
m-TCPN
ChemIDplus
m-Tetrachlorophthalonitrile
ChemIDplus
meta-TCPN
ChemIDplus
meta-Tetrachlorophthalodinitrile
ChemIDplus
chebi_ontology
zinc group coordination compounds
zinc group coordination entities
CHEBI:36563
zinc group coordination entity
zinc group coordination compounds
ChEBI
zinc group coordination entities
ChEBI
chebi_ontology
zinc coordination compounds
zinc coordination entities
CHEBI:36566
zinc coordination entity
zinc coordination compounds
ChEBI
zinc coordination entities
ChEBI
Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.
carbonyl compounds
chebi_ontology
CHEBI:36586
carbonyl compound
carbonyl compounds
IUPAC
Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element.
oxo compounds
chebi_ontology
organic oxo compounds
CHEBI:36587
organic oxo compound
oxo compounds
IUPAC
organic oxo compounds
ChEBI
A mancude organic heterobicyclic parent that is a heterocyclic organic compound comprising fused benzene and imidazole rings.
0
C7H6N2
118.136
118.05310
Wikipedia:Benzimidazole
benzimidazole
chebi_ontology
Benzimidazol
CHEBI:36622
benzimidazole
benzimidazole
IUPAC
Benzimidazol
ChEBI
0
C7H6N2
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5H,4H2
VSTRESXSGAUGKC-UHFFFAOYSA-N
118.13602
118.05310
C1C=CC=C2N=CN=C12
4H-benzimidazole
chebi_ontology
CHEBI:36623
4H-benzimidazole
4H-benzimidazole
IUPAC
Any one of eight organic heterobicyclic compounds that have a naphthalene skeleton in which two of the carbons are replaced by nitrogens. A 'closed' class.
0
C8H6N2
130.147
130.05310
Wikipedia:Naphthyridine
naphthyridine
chebi_ontology
CHEBI:36624
naphthyridine
naphthyridine
IUPAC
A naphthyridine in which the nitrogens are situated at positions 1 and 8.
0
C8H6N2
InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
FLBAYUMRQUHISI-UHFFFAOYSA-N
130.14660
130.05310
c1cnc2ncccc2c1
Beilstein:109347
CAS:254-60-4
Gmelin:27124
Reaxys:109347
1,8-naphthyridine
chebi_ontology
1,8-diazanaphthalene
1,8-pyridopyridine
napy
CHEBI:36628
1,8-naphthyridine
Beilstein:109347
Beilstein
CAS:254-60-4
ChemIDplus
CAS:254-60-4
NIST Chemistry WebBook
Gmelin:27124
Gmelin
Reaxys:109347
Reaxys
1,8-naphthyridine
IUPAC
1,8-diazanaphthalene
NIST_Chemistry_WebBook
1,8-pyridopyridine
NIST_Chemistry_WebBook
napy
IUPAC
0
C7H6N2
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
NLMVLMCSXDIGSW-UHFFFAOYSA-N
118.13602
118.05310
C1N=c2ccccc2=N1
2H-benzimidazole
chebi_ontology
CHEBI:36639
2H-benzimidazole
2H-benzimidazole
IUPAC
0
C7H6N2
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H
VRKAZVNMMPXRKG-UHFFFAOYSA-N
118.13602
118.05310
C1=CC2N=CN=C2C=C1
3aH-benzimidazole
chebi_ontology
CHEBI:36641
3aH-benzimidazole
3aH-benzimidazole
IUPAC
An organochlorine compound is a compound containing at least one carbon-chlorine bond.
0
ClR
35.453
34.96885
Cl[*]
MetaCyc:Chlorides
Wikipedia:Organochloride
organochlorine compound
chebi_ontology
an organochlorine molecule
chloroorganic compounds
chlororganische Verbindungen
organochloride
organochloride compound
organochloride compounds
organochlorides
organochlorine compounds
CHEBI:36683
organochlorine compound
organochlorine compound
ChEBI
an organochlorine molecule
UniProt
chloroorganic compounds
ChEBI
chlororganische Verbindungen
ChEBI
organochloride
ChEBI
organochloride compound
ChEBI
organochloride compounds
ChEBI
organochlorides
ChEBI
organochlorine compounds
ChEBI
heterotricyclic compound
heterotricyclic compounds
chebi_ontology
heterotricyclic compounds
CHEBI:36688
heterotricyclic compound
heterotricyclic compound
ChEBI
heterotricyclic compounds
IUPAC
heterotricyclic compounds
ChEBI
Any compound having phosphocholine as part of its structure.
chebi_ontology
O-phosphocholines
choline phosphates
phosphorylcholines
CHEBI:36700
phosphocholines
O-phosphocholines
ChEBI
choline phosphates
ChEBI
phosphorylcholines
ChEBI
Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups.
aminoquinoline
chebi_ontology
aminoquinolines
CHEBI:36709
aminoquinoline
aminoquinoline
ChEBI
aminoquinolines
ChEBI
A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10.
0
C15H32
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
YFHFHLSMISYUAQ-UHFFFAOYSA-N
212.41458
212.25040
CCC(C)CCCC(C)CCCC(C)C
Beilstein:1719672
CAS:3891-98-3
LIPID_MAPS_instance:LMPR0103010000
MetaCyc:CPD-8764
Patent:US2008098645
Patent:US7399323
Reaxys:1719672
2,6,10-trimethyldodecane
farnesane
chebi_ontology
Farnesan
CHEBI:36756
farnesane
Beilstein:1719672
Beilstein
CAS:3891-98-3
ChemIDplus
CAS:3891-98-3
NIST Chemistry WebBook
LIPID_MAPS_instance:LMPR0103010000
LIPID MAPS
Reaxys:1719672
Reaxys
2,6,10-trimethyldodecane
IUPAC
farnesane
NIST_Chemistry_WebBook
Farnesan
NIST_Chemistry_WebBook
farnesane sesquiterpenoid
chebi_ontology
farnesane sesquiterpenoids
CHEBI:36757
farnesane sesquiterpenoid
farnesane sesquiterpenoid
ChEBI
farnesane sesquiterpenoids
ChEBI
A bicyclic compound in which all the ring atoms are carbon.
chebi_ontology
carbobicyclic compounds
CHEBI:36785
carbobicyclic compound
carbobicyclic compounds
ChEBI
O-organyl oximes R2C=NOR' (R' =/= H).
0
CNOR3
42.017
41.99799
[*]O\N=C(/[*])[*]
oxime O-ether
oxime O-ethers
chebi_ontology
O-substituted oximes
oxime O-ethers
oxime ether
oxime ethers
CHEBI:36816
oxime O-ether
oxime O-ether
IUPAC
oxime O-ethers
IUPAC
O-substituted oximes
ChEBI
oxime O-ethers
ChEBI
oxime ether
ChEBI
oxime ethers
ChEBI
Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved.
ring assemblies
ring assembly
chebi_ontology
CHEBI:36820
ring assembly
ring assemblies
IUPAC
ring assembly
IUPAC
pseudohalide group
chebi_ontology
halogenoid group
pseudohalido group
pseudohalo groups
pseudohalogen group
CHEBI:36823
pseudohalo group
pseudohalide group
IUPAC
halogenoid group
ChEBI
pseudohalido group
ChEBI
pseudohalo groups
ChEBI
pseudohalogen group
IUPAC
pseudohalide ions
chebi_ontology
pseudohalide anions
pseudohalides
pseudohalogen anion
pseudohalogen ion
CHEBI:36828
pseudohalide anion
pseudohalide ions
IUPAC
pseudohalide anions
ChEBI
pseudohalides
ChEBI
pseudohalogen anion
ChEBI
pseudohalogen ion
ChEBI
chebi_ontology
polyatomic monoanions
CHEBI:36829
polyatomic monoanion
polyatomic monoanions
ChEBI
-1
chebi_ontology
monoanions
CHEBI:36830
monoanion
monoanions
ChEBI
Any hydroxy steroid carrying a hydroxy group at position 3.
chebi_ontology
3-hydroxy steroids
CHEBI:36834
3-hydroxy steroid
3-hydroxy steroids
ChEBI
A 3-hydroxy steroid in which the 3-hydroxy substituent is in the alpha-position.
0
C19H31OR
275.450
275.23749
C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@H](C4)O)C
CHEBI:71194
MetaCyc:3-alpha-Hydroxysteroids
PMID:11514561
chebi_ontology
3alpha-hydroxy steroids
3alpha-hydroxysteroid
3alpha-hydroxysteroids
a 3alpha-hydroxysteroid
CHEBI:36835
3alpha-hydroxy steroid
PMID:11514561
SUBMITTER
3alpha-hydroxy steroids
ChEBI
3alpha-hydroxysteroid
ChEBI
3alpha-hydroxysteroids
ChEBI
a 3alpha-hydroxysteroid
UniProt
chebi_ontology
11-hydroxy steroids
CHEBI:36841
11-hydroxy steroid
11-hydroxy steroids
ChEBI
0
CHN
InChI=1S/CHN/c1-2/h2H
QIUBLANJVAOHHY-UHFFFAOYSA-N
27.02538
27.01090
[C-]#[NH+]
Beilstein:2069401
CAS:6914-07-4
Gmelin:113
hydrogen isocyanide
nitriliomethanide
chebi_ontology
CNH
HN(+)#C(-)
HNC
hydroisocyanic acid
CHEBI:36856
hydrogen isocyanide
Beilstein:2069401
Beilstein
CAS:6914-07-4
NIST Chemistry WebBook
Gmelin:113
Gmelin
hydrogen isocyanide
NIST_Chemistry_WebBook
nitriliomethanide
IUPAC
CNH
ChEBI
HN(+)#C(-)
IUPAC
HNC
NIST_Chemistry_WebBook
hydroisocyanic acid
ChEBI
chalcogen hydride
chebi_ontology
chalcogen hydrides
CHEBI:36902
chalcogen hydride
chalcogen hydride
ChEBI
chalcogen hydrides
ChEBI
chebi_ontology
inorganic ions
CHEBI:36914
inorganic ion
inorganic ions
ChEBI
chebi_ontology
inorganic cations
CHEBI:36915
inorganic cation
inorganic cations
ChEBI
A monoatomic or polyatomic species having one or more elementary charges of the proton.
CHEBI:23058
CHEBI:3473
KEGG:C01373
Cation
cation
chebi_ontology
Kation
Kationen
cationes
cations
CHEBI:36916
cation
Cation
KEGG_COMPOUND
cation
ChEBI
cation
IUPAC
Kation
ChEBI
Kationen
ChEBI
cationes
ChEBI
cations
ChEBI
chalcocarbonic acid
chalcocarbonic acids
chebi_ontology
chalcocarbonic acids
CHEBI:36961
chalcocarbonic acid
chalcocarbonic acid
ChEBI
chalcocarbonic acids
IUPAC
chalcocarbonic acids
ChEBI
An organochalcogen compound is a compound containing at least one carbon-chalcogen bond.
organochalcogen compound
chebi_ontology
organochalcogen compounds
CHEBI:36962
organochalcogen compound
organochalcogen compound
ChEBI
organochalcogen compounds
ChEBI
An organochalcogen compound containing at least one carbon-oxygen bond.
PMID:17586126
organooxygen compound
chebi_ontology
organooxygen compounds
CHEBI:36963
organooxygen compound
PMID:17586126
Europe PMC
organooxygen compound
ChEBI
organooxygen compounds
ChEBI
A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid.
CHEBI:13215
CHEBI:13663
CHEBI:7656
KEGG:C00215
Wikipedia:Nucleotide
Nucleotide
chebi_ontology
nucleotides
CHEBI:36976
nucleotide
Nucleotide
KEGG_COMPOUND
nucleotides
ChEBI
chebi_ontology
cyclic purine nucleotides
CHEBI:36982
cyclic purine nucleotide
cyclic purine nucleotides
ChEBI
chebi_ontology
CHEBI:36988
5'-deoxyribonucleoside
amino-acid anion
chebi_ontology
amino acid anions
amino-acid anions
CHEBI:37022
amino-acid anion
amino-acid anion
ChEBI
amino acid anions
ChEBI
amino-acid anions
ChEBI
An organoiodine compound is a compound containing at least one carbon-iodine bond.
0
IR
126.904
126.90447
*I
MetaCyc:Organoiodine-Compounds
Wikipedia:Organoiodine_compound
organoiodine compound
chebi_ontology
organoiodine compounds
CHEBI:37142
organoiodine compound
organoiodine compound
ChEBI
organoiodine compounds
ChEBI
An organofluorine compound is a compound containing at least one carbon-fluorine bond.
0
FR
18.998
18.99840
*F
MetaCyc:Fluorides
organofluorine compound
chebi_ontology
fluoroorganic compound
fluoroorganic compounds
fluoroorganics
fluororganische Verbindungen
organofluorine compounds
CHEBI:37143
organofluorine compound
organofluorine compound
ChEBI
fluoroorganic compound
ChEBI
fluoroorganic compounds
ChEBI
fluoroorganics
ChEBI
fluororganische Verbindungen
ChEBI
organofluorine compounds
ChEBI
Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16).
CHEBI:62670
Wikipedia:Phosphoprotein_phosphatase
Wikipedia:Protein_serine/threonine_phosphatase
chebi_ontology
3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor
3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors
Aspergillus awamori acid protein phosphatase inhibitor
Aspergillus awamori acid protein phosphatase inhibitors
BCKDH phosphatase inhibitor
BCKDH phosphatase inhibitors
EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors
EC 3.1.3.16 inhibitor
EC 3.1.3.16 inhibitors
HMG-CoA reductase phosphatase inhibitor
HMG-CoA reductase phosphatase inhibitors
branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor
branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors
calcineurin inhibitor
calcineurin inhibitors
casein phosphatase inhibitor
casein phosphatase inhibitors
phosphatase 2A inhibitor
phosphatase 2A inhibitors
phosphatase 2B inhibitor
phosphatase 2B inhibitors
phosphatase C-II inhibitor
phosphatase C-II inhibitors
phosphatase H-II inhibitor
phosphatase H-II inhibitors
phosphatase I inhibitor
phosphatase I inhibitors
phosphatase IB inhibitor
phosphatase IB inhibitors
phosphatase II inhibitor
phosphatase II inhibitors
phosphatase III inhibitor
phosphatase III inhibitors
phosphatase IV inhibitor
phosphatase IV inhibitors
phosphatase SP inhibitor
phosphatase SP inhibitors
phosphoprotein phosphatase (EC 3.1.3.16) inhibitor
phosphoprotein phosphatase (EC 3.1.3.16) inhibitors
phosphoprotein phosphatase inhibitor
phosphoprotein phosphatase inhibitors
phosphoprotein phosphohydrolase inhibitor
phosphoprotein phosphohydrolase inhibitors
phosphopyruvate dehydrogenase phosphatase inhibitor
phosphopyruvate dehydrogenase phosphatase inhibitors
phosphospectrin phosphatase inhibitor
phosphospectrin phosphatase inhibitors
polycation modulated (PCM-) phosphatase inhibitor
polycation modulated (PCM-) phosphatase inhibitors
protein D phosphatase inhibitor
protein D phosphatase inhibitors
protein phosphatase inhibitor
protein phosphatase inhibitors
protein phosphatase-1 inhibitor
protein phosphatase-1 inhibitors
protein phosphatase-2A inhibitor
protein phosphatase-2A inhibitors
protein phosphatase-2B inhibitor
protein phosphatase-2B inhibitors
protein phosphatase-2C inhibitor
protein phosphatase-2C inhibitors
protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors
protein serine/threonine phosphatase inhibitor
protein serine/threonine phosphatase inhibitors
serine/threonine specific protein phosphatase inhibitor
serine/threonine specific protein phosphatase inhibitors
CHEBI:37153
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor
3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor
ChEBI
3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors
ChEBI
Aspergillus awamori acid protein phosphatase inhibitor
ChEBI
Aspergillus awamori acid protein phosphatase inhibitors
ChEBI
BCKDH phosphatase inhibitor
ChEBI
BCKDH phosphatase inhibitors
ChEBI
EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors
ChEBI
EC 3.1.3.16 inhibitor
ChEBI
EC 3.1.3.16 inhibitors
ChEBI
HMG-CoA reductase phosphatase inhibitor
ChEBI
HMG-CoA reductase phosphatase inhibitors
ChEBI
branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor
ChEBI
branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors
ChEBI
calcineurin inhibitor
ChEBI
calcineurin inhibitors
ChEBI
casein phosphatase inhibitor
ChEBI
casein phosphatase inhibitors
ChEBI
phosphatase 2A inhibitor
ChEBI
phosphatase 2A inhibitors
ChEBI
phosphatase 2B inhibitor
ChEBI
phosphatase 2B inhibitors
ChEBI
phosphatase C-II inhibitor
ChEBI
phosphatase C-II inhibitors
ChEBI
phosphatase H-II inhibitor
ChEBI
phosphatase H-II inhibitors
ChEBI
phosphatase I inhibitor
ChEBI
phosphatase I inhibitors
ChEBI
phosphatase IB inhibitor
ChEBI
phosphatase IB inhibitors
ChEBI
phosphatase II inhibitor
ChEBI
phosphatase II inhibitors
ChEBI
phosphatase III inhibitor
ChEBI
phosphatase III inhibitors
ChEBI
phosphatase IV inhibitor
ChEBI
phosphatase IV inhibitors
ChEBI
phosphatase SP inhibitor
ChEBI
phosphatase SP inhibitors
ChEBI
phosphoprotein phosphatase (EC 3.1.3.16) inhibitor
ChEBI
phosphoprotein phosphatase (EC 3.1.3.16) inhibitors
ChEBI
phosphoprotein phosphatase inhibitor
ChEBI
phosphoprotein phosphatase inhibitors
ChEBI
phosphoprotein phosphohydrolase inhibitor
ChEBI
phosphoprotein phosphohydrolase inhibitors
ChEBI
phosphopyruvate dehydrogenase phosphatase inhibitor
ChEBI
phosphopyruvate dehydrogenase phosphatase inhibitors
ChEBI
phosphospectrin phosphatase inhibitor
ChEBI
phosphospectrin phosphatase inhibitors
ChEBI
polycation modulated (PCM-) phosphatase inhibitor
ChEBI
polycation modulated (PCM-) phosphatase inhibitors
ChEBI
protein D phosphatase inhibitor
ChEBI
protein D phosphatase inhibitors
ChEBI
protein phosphatase inhibitor
ChEBI
protein phosphatase inhibitors
ChEBI
protein phosphatase-1 inhibitor
ChEBI
protein phosphatase-1 inhibitors
ChEBI
protein phosphatase-2A inhibitor
ChEBI
protein phosphatase-2A inhibitors
ChEBI
protein phosphatase-2B inhibitor
ChEBI
protein phosphatase-2B inhibitors
ChEBI
protein phosphatase-2C inhibitor
ChEBI
protein phosphatase-2C inhibitors
ChEBI
protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors
ChEBI
protein serine/threonine phosphatase inhibitor
ChEBI
protein serine/threonine phosphatase inhibitors
ChEBI
serine/threonine specific protein phosphatase inhibitor
ChEBI
serine/threonine specific protein phosphatase inhibitors
ChEBI
chebi_ontology
organic hydrides
CHEBI:37175
organic hydride
organic hydrides
ChEBI
mononuclear parent hydrides
chebi_ontology
mononuclear hydride
mononuclear hydrides
CHEBI:37176
mononuclear parent hydride
mononuclear parent hydrides
IUPAC
mononuclear hydride
ChEBI
mononuclear hydrides
IUPAC
A polyol that contains 6 hydroxy groups.
hexol
chebi_ontology
hexols
CHEBI:37206
hexol
hexol
IUPAC
hexols
ChEBI
chebi_ontology
CHEBI:37246
elemental sodium
chebi_ontology
CHEBI:37247
elemental potassium
The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.
0
C38H69NO13
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
AGOYDEPGAOXOCK-KCBOHYOISA-N
747.95340
747.47689
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC
CHEBI:41676
CHEBI:442148
CHEBI:670147
Beilstein:3581974
CAS:81103-11-9
DrugBank:DB01211
Drug_Central:668
KEGG:C06912
KEGG:D00276
LINCS:LSM-5606
LIPID_MAPS_instance:LMPK04000014
PDBeChem:CTY
PMID:16387493
Patent:EP41355
Patent:US4331803
Reaxys:3581974
CLARITHROMYCIN
Clarithromycin
O(6)-methylerythromycin
chebi_ontology
6-O-methylerythromycin
6-O-methylerythromycin A
CLA
clarithromycin
clarithromycina
clarithromycine
clarithromycinum
CHEBI:3732
clarithromycin
Beilstein:3581974
Beilstein
CAS:81103-11-9
ChemIDplus
CAS:81103-11-9
KEGG COMPOUND
Drug_Central:668
DrugCentral
LIPID_MAPS_instance:LMPK04000014
LIPID MAPS
PMID:16387493
ChEMBL
Reaxys:3581974
Reaxys
CLARITHROMYCIN
PDBeChem
Clarithromycin
KEGG_COMPOUND
O(6)-methylerythromycin
IUPAC
6-O-methylerythromycin
ChemIDplus
6-O-methylerythromycin A
ChemIDplus
CLA
DrugBank
clarithromycin
ChemIDplus
clarithromycina
ChemIDplus
clarithromycine
ChemIDplus
clarithromycinum
ChemIDplus
chebi_ontology
CHEBI:37404
elemental copper
Any ether in which the oxygen atom forms part of a ring.
CHEBI:37406
cyclic ether
cyclic ethers
epoxy compounds
chebi_ontology
cyclic ethers
epoxy compounds
CHEBI:37407
cyclic ether
cyclic ether
IUPAC
cyclic ethers
IUPAC
epoxy compounds
IUPAC
cyclic ethers
ChEBI
epoxy compounds
ChEBI
An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6).
Wikipedia:RNA_polymerase
chebi_ontology
C RNA formation factors inhibitor
C RNA formation factors inhibitors
C ribonucleic acid formation factors inhibitor
C ribonucleic acid formation factors inhibitors
DNA-dependent RNA nucleotidyltransferase inhibitor
DNA-dependent RNA nucleotidyltransferase inhibitors
DNA-dependent RNA polymerase inhibitor
DNA-dependent RNA polymerase inhibitors
DNA-dependent ribonucleate nucleotidyltransferase inhibitor
DNA-dependent ribonucleate nucleotidyltransferase inhibitors
DNA-directed RNA polymerase inhibitor
DNA-directed RNA polymerase inhibitors
DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor
DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors
EC 2.7.7.6 (RNA polymerase) inhibitors
EC 2.7.7.6 inhibitor
EC 2.7.7.6 inhibitors
RNA nucleotidyltransferase (DNA-directed) inhibitor
RNA nucleotidyltransferase (DNA-directed) inhibitors
RNA nucleotidyltransferase inhibitor
RNA nucleotidyltransferase inhibitors
RNA polymerase (EC 2.7.7.6) inhibitor
RNA polymerase (EC 2.7.7.6) inhibitors
RNA polymerase I inhibitor
RNA polymerase I inhibitors
RNA polymerase II inhibitor
RNA polymerase II inhibitors
RNA polymerase III inhibitor
RNA polymerase III inhibitors
RNA polymerase inhibitor
RNA polymerase inhibitors
RNA transcriptase inhibitor
RNA transcriptase inhibitors
deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor
deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors
directed RNA polymerase inhibitor
nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor
nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors
ribonucleate nucleotidyltransferase inhibitor
ribonucleate nucleotidyltransferase inhibitors
ribonucleate polymerase inhibitor
ribonucleate polymerase inhibitors
ribonucleic acid nucleotidyltransferase inhibitor
ribonucleic acid nucleotidyltransferase inhibitors
ribonucleic acid polymerase inhibitor
ribonucleic acid polymerase inhibitors
ribonucleic acid transcriptase inhibitor
ribonucleic acid transcriptase inhibitors
ribonucleic polymerase inhibitor
ribonucleic polymerase inhibitors
ribonucleic transcriptase inhibitor
ribonucleic transcriptase inhibitors
transcriptase inhibitor
transcriptase inhibitors
CHEBI:37416
EC 2.7.7.6 (RNA polymerase) inhibitor
C RNA formation factors inhibitor
ChEBI
C RNA formation factors inhibitors
ChEBI
C ribonucleic acid formation factors inhibitor
ChEBI
C ribonucleic acid formation factors inhibitors
ChEBI
DNA-dependent RNA nucleotidyltransferase inhibitor
ChEBI
DNA-dependent RNA nucleotidyltransferase inhibitors
ChEBI
DNA-dependent RNA polymerase inhibitor
ChEBI
DNA-dependent RNA polymerase inhibitors
ChEBI
DNA-dependent ribonucleate nucleotidyltransferase inhibitor
ChEBI
DNA-dependent ribonucleate nucleotidyltransferase inhibitors
ChEBI
DNA-directed RNA polymerase inhibitor
ChEBI
DNA-directed RNA polymerase inhibitors
ChEBI
DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor
ChEBI
DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors
ChEBI
EC 2.7.7.6 (RNA polymerase) inhibitors
ChEBI
EC 2.7.7.6 inhibitor
ChEBI
EC 2.7.7.6 inhibitors
ChEBI
RNA nucleotidyltransferase (DNA-directed) inhibitor
ChEBI
RNA nucleotidyltransferase (DNA-directed) inhibitors
ChEBI
RNA nucleotidyltransferase inhibitor
ChEBI
RNA nucleotidyltransferase inhibitors
ChEBI
RNA polymerase (EC 2.7.7.6) inhibitor
ChEBI
RNA polymerase (EC 2.7.7.6) inhibitors
ChEBI
RNA polymerase I inhibitor
ChEBI
RNA polymerase I inhibitors
ChEBI
RNA polymerase II inhibitor
ChEBI
RNA polymerase II inhibitors
ChEBI
RNA polymerase III inhibitor
ChEBI
RNA polymerase III inhibitors
ChEBI
RNA polymerase inhibitor
ChEBI
RNA polymerase inhibitors
ChEBI
RNA transcriptase inhibitor
ChEBI
RNA transcriptase inhibitors
ChEBI
deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor
ChEBI
deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors
ChEBI
directed RNA polymerase inhibitor
ChEBI
nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor
ChEBI
nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors
ChEBI
ribonucleate nucleotidyltransferase inhibitor
ChEBI
ribonucleate nucleotidyltransferase inhibitors
ChEBI
ribonucleate polymerase inhibitor
ChEBI
ribonucleate polymerase inhibitors
ChEBI
ribonucleic acid nucleotidyltransferase inhibitor
ChEBI
ribonucleic acid nucleotidyltransferase inhibitors
ChEBI
ribonucleic acid polymerase inhibitor
ChEBI
ribonucleic acid polymerase inhibitors
ChEBI
ribonucleic acid transcriptase inhibitor
ChEBI
ribonucleic acid transcriptase inhibitors
ChEBI
ribonucleic polymerase inhibitor
ChEBI
ribonucleic polymerase inhibitors
ChEBI
ribonucleic transcriptase inhibitor
ChEBI
ribonucleic transcriptase inhibitors
ChEBI
transcriptase inhibitor
ChEBI
transcriptase inhibitors
ChEBI
A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.
0
C18H33ClN2O5S
InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
KDLRVYVGXIQJDK-NOWPCOIGSA-N
424.98380
424.17987
CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
CHEBI:47331
CAS:18323-44-9
DrugBank:DB01190
HMDB:HMDB0015321
KEGG:C06914
KEGG:C13684
KEGG:D00277
KEGG:D02132
PMID:11691576
PMID:18695329
PMID:24310902
Reaxys:5624049
Wikipedia:Clindamycin
Clindamycin
methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside
chebi_ontology
7(S)-Chloro-7-deoxylincomycin
7-CDL
Cleocin (TN)
Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside
CHEBI:3745
clindamycin
CAS:18323-44-9
ChemIDplus
CAS:18323-44-9
KEGG COMPOUND
PMID:11691576
Europe PMC
PMID:18695329
Europe PMC
PMID:24310902
Europe PMC
Reaxys:5624049
Reaxys
Clindamycin
KEGG_COMPOUND
methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside
IUPAC
7(S)-Chloro-7-deoxylincomycin
ChemIDplus
7-CDL
ChemIDplus
Cleocin (TN)
KEGG_DRUG
Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside
ChemIDplus
3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients.
0
C27H22Cl2N4
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3
WDQPAMHFFCXSNU-UHFFFAOYSA-N
473.39600
472.12215
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
CHEBI:355347
Beilstein:8168151
CAS:2030-63-9
DrugBank:DB00845
KEGG:C06915
KEGG:D00278
LINCS:LSM-5669
PMID:17210775
PMID:3279207
Patent:US2948726
N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine
chebi_ontology
(4-Chloro-phenyl)-[5-(4-chloro-phenyl)-3-isopropylimino-3,5-dihydro-phenazin-2-yl]-amine
3-(p-chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine
3-(p-chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin
N,5-bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine
clofazimina
clofazimine
clofaziminum
CHEBI:3749
clofazimine
Beilstein:8168151
Beilstein
CAS:2030-63-9
ChemIDplus
CAS:2030-63-9
KEGG COMPOUND
PMID:17210775
ChEMBL
PMID:3279207
ChEMBL
N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine
IUPAC
(4-Chloro-phenyl)-[5-(4-chloro-phenyl)-3-isopropylimino-3,5-dihydro-phenazin-2-yl]-amine
ChEMBL
3-(p-chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine
ChemIDplus
3-(p-chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin
ChemIDplus
N,5-bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine
ChEMBL
clofazimina
ChemIDplus
clofazimine
ChemIDplus
clofaziminum
ChemIDplus
An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid).
CHEBI:13800
CHEBI:13801
CHEBI:22209
CHEBI:2426
KEGG:C00174
Acid
acid
chebi_ontology
Saeure
Saeuren
acide
acido
acids
CHEBI:37527
acid
Acid
KEGG_COMPOUND
acid
IUPAC
Saeure
ChEBI
Saeuren
ChEBI
acide
IUPAC
acido
ChEBI
acids
ChEBI
Derivatives of diazene with the general structure R-N=N-R'.
azo compounds
chebi_ontology
azo compounds
CHEBI:37533
azo compound
azo compounds
IUPAC
azo compounds
ChEBI
A molecular entity consisting of two or more chemical elements.
chebi_ontology
chemical compound
heteroatomic molecular entities
CHEBI:37577
heteroatomic molecular entity
chemical compound
ChEBI
heteroatomic molecular entities
ChEBI
Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements.
Wikipedia:Halide
chebi_ontology
halides
CHEBI:37578
halide
halides
ChEBI
An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom.
0
CNOR3
42.01680
41.99799
[*]C(=O)N([*])[*]
CHEBI:35354
CHEBI:35355
carboxamides
chebi_ontology
carboxamides
primary carboxamide
CHEBI:37622
carboxamide
carboxamides
IUPAC
carboxamides
ChEBI
primary carboxamide
ChEBI
0
C6H12O6
180.156
180.06339
Beilstein:1724626
CAS:921-60-8
L-gluco-hexose
L-glucose
chebi_ontology
L(-)-glucose
CHEBI:37624
L-glucose
Beilstein:1724626
ChemIDplus
CAS:921-60-8
ChemIDplus
L-gluco-hexose
IUPAC
L-glucose
IUPAC
L(-)-glucose
ChemIDplus
The L-enantiomer of glucopyranose.
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1
WQZGKKKJIJFFOK-ZZWDRFIYSA-N
180.15588
180.06339
OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O
Beilstein:2206321
GlyTouCan:G16038XU
Reaxys:2206321
L-glucopyranose
chebi_ontology
WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/
CHEBI:37627
L-glucopyranose
Beilstein:2206321
Beilstein
Reaxys:2206321
Reaxys
L-glucopyranose
IUPAC
L-glucopyranose
UniProt
WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/
GlyTouCan
A L-glucopyranose with an alpha-configuration at the anomeric position.
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m0/s1
WQZGKKKJIJFFOK-MDMQIMBFSA-N
180.15588
180.06339
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
Beilstein:1907372
GlyTouCan:G15768VA
Reaxys:1907372
alpha-L-glucopyranose
chebi_ontology
WURCS=2.0/1,1,0/[a1211h-1a_1-5]/1/
CHEBI:37630
alpha-L-glucose
Beilstein:1907372
Beilstein
Reaxys:1907372
Reaxys
alpha-L-glucopyranose
IUPAC
WURCS=2.0/1,1,0/[a1211h-1a_1-5]/1/
GlyTouCan
0
C6H12O6
180.156
180.06339
glucopyranose
chebi_ontology
CHEBI:37661
glucopyranose
glucopyranose
IUPAC
A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
Wikipedia:Protease_inhibitor_(biology)
chebi_ontology
protease inhibitors
CHEBI:37670
protease inhibitor
protease inhibitors
ChEBI
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
chebi_ontology
protein kinase inhibitors
CHEBI:37699
protein kinase inhibitor
protein kinase inhibitors
ChEBI
CHEBI:26019
chebi_ontology
CHEBI:37734
phosphoric ester
A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration.
0
C8H11NO3S
InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
RBKMMJSQKNKNEV-RITPCOANSA-N
201.24388
201.04596
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2
Beilstein:4677775
CAS:87-53-6
Reaxys:4677775
2,2-dimethylpenam-3alpha-carboxylic acid
penicillanic acid
chebi_ontology
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CHEBI:37806
penicillanic acid
Beilstein:4677775
Beilstein
CAS:87-53-6
ChemIDplus
Reaxys:4677775
Reaxys
2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
penicillanic acid
ChemIDplus
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
sulfuric acid derivative
chebi_ontology
sulfuric acid derivatives
CHEBI:37826
sulfuric acid derivative
sulfuric acid derivative
ChEBI
sulfuric acid derivatives
ChEBI
A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid.
carboacyl groups
carboxylic acyl group
chebi_ontology
carboxylic acyl groups
CHEBI:37838
carboacyl group
carboacyl groups
IUPAC
carboxylic acyl group
IUPAC
carboxylic acyl groups
IUPAC
A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
CHEBI:26158
Wikipedia:Phytohormone
chebi_ontology
phytohormone
phytohormones
plant growth factor
plant growth factors
plant growth hormone
plant growth hormones
plant hormones
CHEBI:37848
plant hormone
phytohormone
ChEBI
phytohormones
ChEBI
plant growth factor
ChEBI
plant growth factors
ChEBI
plant growth hormone
ChEBI
plant growth hormones
ChEBI
plant hormones
ChEBI
chebi_ontology
organoammonium sulfates
CHEBI:37852
organoammonium sulfate salt
organoammonium sulfates
ChEBI
Any coumarin carrying at least one hydroxy substituent.
CHEBI:24691
CHEBI:24692
chebi_ontology
hydroxycoumarins
CHEBI:37912
hydroxycoumarin
hydroxycoumarins
ChEBI
A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa.
0
C52H97N16O13R
1154.428
1153.74210
C(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)NCC1)[C@@H](C)O)=O)CCN)=O)CCN)=O)CC(C)C)=O)CC(C)C)=O)CCN)=O)=O)CCN)=O)[C@@H](C)O)=O)CCN)=O)CCC[C@@H](C*)C
CHEBI:34651
CHEBI:472593
CHEBI:560465
CHEBI:566816
CHEBI:596826
CHEBI:597111
CHEBI:600596
CHEBI:659853
CAS:1066-17-7
CAS:1264-72-8
DrugBank:DB00803
KEGG:C13768
KEGG:D02138
PMID:15825037
PMID:16931410
PMID:17145797
PMID:17562800
PMID:17576842
PMID:17606684
PMID:17620384
PMID:17646423
PMID:17846127
PMID:17876007
PMID:18625681
PMID:25322351
PMID:26252512
PMID:26415906
PMID:26488563
PMID:26730548
PMID:27160031
PMID:27411324
PMID:27480806
PMID:27524102
PMID:27552304
PMID:27684296
PMID:27743779
PMID:27790432
PMID:27793510
PMID:27891118
PMID:27917926
PMID:28018876
PMID:28029008
PMID:28215823
PMID:28257552
PMID:28267594
PMID:28267779
PMID:28300674
PMID:28315729
PMID:28321410
Colistin
chebi_ontology
colistina
colistine
colistinum
polymyxin E
CHEBI:37943
colistin
CAS:1066-17-7
ChemIDplus
CAS:1264-72-8
ChemIDplus
CAS:1264-72-8
KEGG COMPOUND
PMID:15825037
Europe PMC
PMID:16931410
Europe PMC
PMID:17145797
ChEMBL
PMID:17562800
ChEMBL
PMID:17576842
ChEMBL
PMID:17606684
ChEMBL
PMID:17620384
ChEMBL
PMID:17646423
ChEMBL
PMID:17846127
ChEMBL
PMID:17876007
ChEMBL
PMID:18625681
Europe PMC
PMID:25322351
Europe PMC
PMID:26252512
Europe PMC
PMID:26415906
Europe PMC
PMID:26488563
Europe PMC
PMID:26730548
Europe PMC
PMID:27160031
Europe PMC
PMID:27411324
Europe PMC
PMID:27480806
Europe PMC
PMID:27524102
Europe PMC
PMID:27552304
Europe PMC
PMID:27684296
Europe PMC
PMID:27743779
Europe PMC
PMID:27790432
Europe PMC
PMID:27793510
Europe PMC
PMID:27891118
Europe PMC
PMID:27917926
Europe PMC
PMID:28018876
Europe PMC
PMID:28029008
Europe PMC
PMID:28215823
Europe PMC
PMID:28257552
Europe PMC
PMID:28267594
Europe PMC
PMID:28267779
Europe PMC
PMID:28300674
Europe PMC
PMID:28315729
Europe PMC
PMID:28321410
Europe PMC
Colistin
ChEMBL
colistina
ChemIDplus
colistine
ChemIDplus
colistinum
ChemIDplus
polymyxin E
ChemIDplus
A spiro compound in which at least one of the cyclic components is an oxygen heterocyle.
chebi_ontology
oxaspiro compounds
CHEBI:37948
oxaspiro compound
oxaspiro compounds
ChEBI
chebi_ontology
Farbstoff
Farbstoffe
colorante
colorantes
dyes
teinture
teintures
CHEBI:37958
dye
Farbstoff
ChEBI
Farbstoffe
ChEBI
colorante
ChEBI
colorantes
ChEBI
dyes
ChEBI
teinture
ChEBI
teintures
ChEBI
chebi_ontology
aminoglycoside sulfate salts
CHEBI:38012
aminoglycoside sulfate salt
aminoglycoside sulfate salts
ChEBI
A carbopolyclic compound comprising of three carbocyclic rings.
chebi_ontology
carbotricyclic compounds
CHEBI:38032
carbotricyclic compound
carbotricyclic compounds
ChEBI
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
chebi_ontology
antimalarials
CHEBI:38068
antimalarial
antimalarials
ChEBI
A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
chebi_ontology
anti-arrhythmia agent
antiarrhythmic agent
CHEBI:38070
anti-arrhythmia drug
anti-arrhythmia agent
ChEBI
antiarrhythmic agent
ChEBI
chebi_ontology
CHEBI:38099
thiadiazoles
Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms.
chebi_ontology
heterocyclic organonitrogen compounds
organonitrogen heterocyclic compounds
CHEBI:38101
organonitrogen heterocyclic compound
heterocyclic organonitrogen compounds
ChEBI
organonitrogen heterocyclic compounds
ChEBI
Compounds based on a triazine skeleton.
chebi_ontology
CHEBI:38102
triazines
Any organic heterocyclic compound containing at least one ring oxygen atom.
PMID:17134300
chebi_ontology
heterocyclic organooxygen compounds
organooxygen heterocyclic compounds
oxacycles
CHEBI:38104
oxacycle
PMID:17134300
Europe PMC
heterocyclic organooxygen compounds
ChEBI
organooxygen heterocyclic compounds
ChEBI
oxacycles
ChEBI
chebi_ontology
heterocyclic organosulfur compounds
organosulfur heterocyclic compounds
CHEBI:38106
organosulfur heterocyclic compound
heterocyclic organosulfur compounds
ChEBI
organosulfur heterocyclic compounds
ChEBI
0
C11H12N2S2
InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
QYKQWFZDEDFELK-UHFFFAOYSA-N
236.35846
236.04419
CSC(=S)NCc1c[nH]c2ccccc12
Beilstein:3611293
CAS:105748-59-2
methyl (1H-indol-3-ylmethyl)carbamodithioate
chebi_ontology
Brassinine
methyl (1H-indol-3-ylmethyl)dithiocarbamate
CHEBI:38119
brassinin
Beilstein:3611293
Beilstein
CAS:105748-59-2
ChemIDplus
methyl (1H-indol-3-ylmethyl)carbamodithioate
IUPAC
Brassinine
ChemIDplus
methyl (1H-indol-3-ylmethyl)dithiocarbamate
IUPAC
Any organonitrogen compound with formula RS-C(=X)NH2 where X = O (monothiocarbamic esters) or S (dithiocarbamic esters), or their N-substituted derivatives.
thiocarbamic ester
chebi_ontology
thiocarbamate
thiocarbamates
CHEBI:38127
thiocarbamic ester
thiocarbamic ester
ChEBI
thiocarbamate
ChEBI
thiocarbamates
ChEBI
Any ester derived from a member of the class of dithiocarbamic acids by formal replacement of the -SH group by -SR, where R is an organyl group.
dithiocarbamic ester
chebi_ontology
carbamodithioates
carbamodithioic esters
dithiocarbamoates
CHEBI:38129
dithiocarbamic ester
dithiocarbamic ester
ChEBI
carbamodithioates
ChEBI
carbamodithioic esters
ChEBI
dithiocarbamoates
ChEBI
Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues.
Wikipedia:Lactol
lactol
lactols
chebi_ontology
lactols
CHEBI:38131
lactol
lactol
IUPAC
lactols
IUPAC
lactols
ChEBI
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
CHEBI:23090
CHEBI:3585
CHEBI:6789
KEGG:C00917
KEGG:C02169
chebi_ontology
Chelating agent
Metal chelator
chelating agents
chelators
complexon
CHEBI:38161
chelator
Chelating agent
KEGG_COMPOUND
Metal chelator
KEGG_COMPOUND
chelating agents
ChEBI
chelators
ChEBI
complexon
ChEBI
chebi_ontology
organic heterotetracyclic compounds
CHEBI:38163
organic heterotetracyclic compound
organic heterotetracyclic compounds
ChEBI
chebi_ontology
organic heteropentacyclic compounds
CHEBI:38164
organic heteropentacyclic compound
organic heteropentacyclic compounds
ChEBI
CHEBI:25429
CHEBI:38075
chebi_ontology
organic heteropolycyclic compounds
CHEBI:38166
organic heteropolycyclic compound
organic heteropolycyclic compounds
ChEBI
chebi_ontology
monocyclic heteroarenes
CHEBI:38179
monocyclic heteroarene
monocyclic heteroarenes
ChEBI
chebi_ontology
polycyclic heteroarenes
CHEBI:38180
polycyclic heteroarene
polycyclic heteroarenes
ChEBI
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'.
chebi_ontology
pyridinemonocarboxylates
CHEBI:38181
pyridinemonocarboxylate
pyridinemonocarboxylates
ChEBI
A pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid.
-1
C6H4NO2
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/p-1
TWBYWOBDOCUKOW-UHFFFAOYSA-M
122.104
122.02475
C(=O)(C=1C=CN=CC1)[O-]
MetaCyc:CPD-13335
pyridine-4-carboxylate
chebi_ontology
4-picolinate
4-pyridinecarboxylate
gamma-picolinate
CHEBI:38186
isonicotinate
pyridine-4-carboxylate
IUPAC
4-picolinate
MetaCyc
4-pyridinecarboxylate
MetaCyc
gamma-picolinate
MetaCyc
One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
chebi_ontology
calcium channel antagonist
calcium channel antagonists
calcium channel blockers
CHEBI:38215
calcium channel blocker
calcium channel antagonist
ChEBI
calcium channel antagonists
ChEBI
calcium channel blockers
ChEBI
-2
C32H22N6O6S2
InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2
HFHIDKQMGIGARX-UHFFFAOYSA-L
650.68592
650.10532
Nc1c(cc(c2ccccc12)S([O-])(=O)=O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1cc(c2ccccc2c1N)S([O-])(=O)=O
Beilstein:1838279
Gmelin:340935
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
chebi_ontology
CHEBI:38216
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
Beilstein:1838279
Beilstein
Gmelin:340935
Gmelin
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
IUPAC
0
C32H24N6O6S2
InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)
HFHIDKQMGIGARX-UHFFFAOYSA-N
652.70180
652.11987
Nc1c(cc(c2ccccc12)S(O)(=O)=O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1cc(c2ccccc2c1N)S(O)(=O)=O
CHEBI:291121
Beilstein:741249
Gmelin:287844
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid)
chebi_ontology
congo red
CHEBI:38217
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid)
Beilstein:741249
Beilstein
Gmelin:287844
Gmelin
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid)
IUPAC
congo red
ChEMBL
0
C8H4N2
InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
LAQPNDIUHRHNCV-UHFFFAOYSA-N
128.13084
128.03745
N#Cc1cccc(c1)C#N
Beilstein:2038364
CAS:626-17-5
benzene-1,3-dicarbonitrile
chebi_ontology
1,3-Benzenedicarbonitrile
1,3-Dicyanobenzene
3-Cyanobenzonitrile
IPN
Isophthalodinitrile
m-Dicyanobenzene
CHEBI:38218
isophthalonitrile
Beilstein:2038364
Beilstein
CAS:626-17-5
ChemIDplus
CAS:626-17-5
NIST Chemistry WebBook
benzene-1,3-dicarbonitrile
IUPAC
1,3-Benzenedicarbonitrile
NIST_Chemistry_WebBook
1,3-Dicyanobenzene
ChemIDplus
3-Cyanobenzonitrile
ChemIDplus
IPN
NIST_Chemistry_WebBook
Isophthalodinitrile
NIST_Chemistry_WebBook
m-Dicyanobenzene
ChemIDplus
Any toxin produced by a plant.
chebi_ontology
phytotoxins
CHEBI:38231
phytotoxin
phytotoxins
ChEBI
Any of a class of heterocyclic amines having a saturated five-membered ring.
CHEBI:26922
CHEBI:38191
chebi_ontology
CHEBI:38260
pyrrolidines
chebi_ontology
CHEBI:38261
imidazolidines
chebi_ontology
azabicycloalkanes
CHEBI:38295
azabicycloalkane
azabicycloalkanes
ChEBI
chebi_ontology
CHEBI:38298
benzodioxoles
chebi_ontology
diazolidines
CHEBI:38304
diazolidine
diazolidines
ChEBI
chebi_ontology
cephems
CHEBI:38311
cephem
cephems
ChEBI
Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure).
chebi_ontology
CHEBI:38313
diazines
chebi_ontology
CHEBI:38314
pyrazines
chebi_ontology
CHEBI:38329
oxazolidines
A pyrimidine carrying one or more oxo substituents.
chebi_ontology
pyrimidones
CHEBI:38337
pyrimidone
pyrimidones
ChEBI
A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.
chebi_ontology
aminopyrimidines
CHEBI:38338
aminopyrimidine
aminopyrimidines
ChEBI
CHEBI:26949
CHEBI:38417
1,3-thiazoles
chebi_ontology
CHEBI:38418
1,3-thiazoles
1,3-thiazoles
ChEBI
chebi_ontology
1-benzopyrans
CHEBI:38443
1-benzopyran
1-benzopyrans
ChEBI
chebi_ontology
chromenones
CHEBI:38445
chromenone
chromenones
ChEBI
chebi_ontology
CHEBI:38496
electron-transport chain inhibitor
chebi_ontology
CHEBI:38497
respiratory-chain inhibitor
chebi_ontology
mitochondrial NADH dehydrogenase inhibitor
mitochondrial complex I inhibitor
mitochondrial complex I inhibitors
CHEBI:38498
mitochondrial NADH:ubiquinone reductase inhibitor
mitochondrial NADH dehydrogenase inhibitor
ChEBI
mitochondrial complex I inhibitor
ChEBI
mitochondrial complex I inhibitors
ChEBI
chebi_ontology
mitochondrial complex III inhibitor
mitochondrial complex III inhibitors
CHEBI:38499
mitochondrial cytochrome-bc1 complex inhibitor
mitochondrial complex III inhibitor
ChEBI
mitochondrial complex III inhibitors
ChEBI
An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1).
CHEBI:38501
CHEBI:62966
PMID:12969439
Wikipedia:Cytochrome_c_oxidase
chebi_ontology
CcO inhibitor
EC 1.9.3.1 (cytochrome c oxidase) inhibitors
EC 1.9.3.1 inhibitor
EC 1.9.3.1 inhibitors
NADH cytochrome c oxidase inhibitor
NADH cytochrome c oxidase inhibitors
Warburg's respiratory enzyme inhibitor
Warburg's respiratory enzyme inhibitors
complex IV (mitochondrial electron transport) inhibitor
complex IV (mitochondrial electron transport) inhibitors
cytochrome a3 inhibitor
cytochrome a3 inhibitors
cytochrome aa3 inhibitor
cytochrome aa3 inhibitors
cytochrome c oxidase (EC 1.9.3.1) inhibitor
cytochrome c oxidase (EC 1.9.3.1) inhibitors
cytochrome c oxidase inhibitor
cytochrome c oxidase inhibitors
cytochrome oxidase inhibitor
cytochrome oxidase inhibitors
cytochrome-c oxidase inhibitor
cytochrome-c oxidase inhibitors
ferrocytochrome c oxidase inhibitor
ferrocytochrome c oxidase inhibitors
ferrocytochrome-c:oxygen oxidoreductase inhibitor
ferrocytochrome-c:oxygen oxidoreductase inhibitors
indophenol oxidase inhibitor
indophenol oxidase inhibitors
indophenolase inhibitor
indophenolase inhibitors
mitochondrial complex IV inhibitor
mitochondrial complex IV inhibitors
mitochondrial cytochrome-c oxidase inhibitors
CHEBI:38500
EC 1.9.3.1 (cytochrome c oxidase) inhibitor
PMID:12969439
Europe PMC
CcO inhibitor
ChEBI
EC 1.9.3.1 (cytochrome c oxidase) inhibitors
ChEBI
EC 1.9.3.1 inhibitor
ChEBI
EC 1.9.3.1 inhibitors
ChEBI
NADH cytochrome c oxidase inhibitor
ChEBI
NADH cytochrome c oxidase inhibitors
ChEBI
Warburg's respiratory enzyme inhibitor
ChEBI
Warburg's respiratory enzyme inhibitors
ChEBI
complex IV (mitochondrial electron transport) inhibitor
ChEBI
complex IV (mitochondrial electron transport) inhibitors
ChEBI
cytochrome a3 inhibitor
ChEBI
cytochrome a3 inhibitors
ChEBI
cytochrome aa3 inhibitor
ChEBI
cytochrome aa3 inhibitors
ChEBI
cytochrome c oxidase (EC 1.9.3.1) inhibitor
ChEBI
cytochrome c oxidase (EC 1.9.3.1) inhibitors
ChEBI
cytochrome c oxidase inhibitor
ChEBI
cytochrome c oxidase inhibitors
ChEBI
cytochrome oxidase inhibitor
ChEBI
cytochrome oxidase inhibitors
ChEBI
cytochrome-c oxidase inhibitor
ChEBI
cytochrome-c oxidase inhibitors
ChEBI
ferrocytochrome c oxidase inhibitor
ChEBI
ferrocytochrome c oxidase inhibitors
ChEBI
ferrocytochrome-c:oxygen oxidoreductase inhibitor
ChEBI
ferrocytochrome-c:oxygen oxidoreductase inhibitors
ChEBI
indophenol oxidase inhibitor
ChEBI
indophenol oxidase inhibitors
ChEBI
indophenolase inhibitor
ChEBI
indophenolase inhibitors
ChEBI
mitochondrial complex IV inhibitor
ChEBI
mitochondrial complex IV inhibitors
ChEBI
mitochondrial cytochrome-c oxidase inhibitors
ChEBI
chebi_ontology
CHEBI:38502
cytochrome-bc1 complex inhibitor
A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H(+)-translocating), EC 1.6.5.3.
Wikipedia:NADH_dehydrogenase_(ubiquinone)
chebi_ontology
DPNH-coenzyme Q reductase inhibitor
DPNH-ubiquinone reductase inhibitor
EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor
EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors
EC 1.6.5.3 inhibitor
EC 1.6.5.3 inhibitors
NADH coenzyme Q1 reductase inhibitor
NADH coenzyme Q1 reductase inhibitors
NADH dehydrogenase (ubiquinone) inhibitor
NADH dehydrogenase (ubiquinone) inhibitors
NADH-CoQ oxidoreductase inhibitor
NADH-CoQ oxidoreductase inhibitors
NADH-CoQ reductase inhibitor
NADH-CoQ reductase inhibitors
NADH-Q6 oxidoreductase inhibitor
NADH-coenzyme Q oxidoreductase inhibitors
NADH-coenzyme Q reductase inhibitor
NADH-coenzyme Q reductase inhibitors
NADH-ubiquinone oxidoreductase inhibitor
NADH-ubiquinone oxidoreductase inhibitors
NADH-ubiquinone reductase inhibitor
NADH-ubiquinone reductase inhibitors
NADH-ubiquinone-1 reductase inhibitor
NADH-ubiquinone-1 reductase inhibitors
NADH2 dehydrogenase (ubiquinone) inhibitor
NADH:ubiquinone oxidoreductase complex inhibitor
NADH:ubiquinone oxidoreductase inhibitor
NADH:ubiquinone oxidoreductase inhibitors
NADH:ubiquinone reductase (H(+)-translocating) inhibitor
NADH:ubiquinone reductase (H(+)-translocating) inhibitors
NADH:ubiquinone reductase (H+-translocating) inhibitor
NADH:ubiquinone reductase inhibitor
coenzyme Q reductase
complex 1 dehydrogenase inhibitor
complex I (NADH:Q1 oxidoreductase) inhibitors
complex I (electron transport chain) inhibitors
complex I (mitochondrial electron transport) inhibitors
dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor
electron transfer complex I inhibitor
electron transfer complex I inhibitors
mitochondrial electron transport complex 1 inhibitor
mitochondrial electron transport complex I inhibitor
mitochondrial electron transport complex I inhibitors
reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor
reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors
type 1 dehydrogenase inhibitor
type 1 dehydrogenase inhibitors
ubiquinone reductase inhibitor
ubiquinone reductase inhibitors
CHEBI:38503
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
DPNH-coenzyme Q reductase inhibitor
ChEBI
DPNH-ubiquinone reductase inhibitor
ChEBI
EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor
ChEBI
EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors
ChEBI
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors
ChEBI
EC 1.6.5.3 inhibitor
ChEBI
EC 1.6.5.3 inhibitors
ChEBI
NADH coenzyme Q1 reductase inhibitor
ChEBI
NADH coenzyme Q1 reductase inhibitors
ChEBI
NADH dehydrogenase (ubiquinone) inhibitor
ChEBI
NADH dehydrogenase (ubiquinone) inhibitors
ChEBI
NADH-CoQ oxidoreductase inhibitor
ChEBI
NADH-CoQ oxidoreductase inhibitors
ChEBI
NADH-CoQ reductase inhibitor
ChEBI
NADH-CoQ reductase inhibitors
ChEBI
NADH-Q6 oxidoreductase inhibitor
ChEBI
NADH-coenzyme Q oxidoreductase inhibitors
ChEBI
NADH-coenzyme Q reductase inhibitor
ChEBI
NADH-coenzyme Q reductase inhibitors
ChEBI
NADH-ubiquinone oxidoreductase inhibitor
ChEBI
NADH-ubiquinone oxidoreductase inhibitors
ChEBI
NADH-ubiquinone reductase inhibitor
ChEBI
NADH-ubiquinone reductase inhibitors
ChEBI
NADH-ubiquinone-1 reductase inhibitor
ChEBI
NADH-ubiquinone-1 reductase inhibitors
ChEBI
NADH2 dehydrogenase (ubiquinone) inhibitor
ChEBI
NADH:ubiquinone oxidoreductase complex inhibitor
ChEBI
NADH:ubiquinone oxidoreductase inhibitor
ChEBI
NADH:ubiquinone oxidoreductase inhibitors
ChEBI
NADH:ubiquinone reductase (H(+)-translocating) inhibitor
ChEBI
NADH:ubiquinone reductase (H(+)-translocating) inhibitors
ChEBI
NADH:ubiquinone reductase (H+-translocating) inhibitor
ChEBI
NADH:ubiquinone reductase inhibitor
ChEBI
coenzyme Q reductase
ChEBI
complex 1 dehydrogenase inhibitor
ChEBI
complex I (NADH:Q1 oxidoreductase) inhibitors
ChEBI
complex I (electron transport chain) inhibitors
ChEBI
complex I (mitochondrial electron transport) inhibitors
ChEBI
dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor
ChEBI
electron transfer complex I inhibitor
ChEBI
electron transfer complex I inhibitors
ChEBI
mitochondrial electron transport complex 1 inhibitor
ChEBI
mitochondrial electron transport complex I inhibitor
ChEBI
mitochondrial electron transport complex I inhibitors
ChEBI
reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor
ChEBI
reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors
ChEBI
type 1 dehydrogenase inhibitor
ChEBI
type 1 dehydrogenase inhibitors
ChEBI
ubiquinone reductase inhibitor
ChEBI
ubiquinone reductase inhibitors
ChEBI
Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues).
hydrazones
chebi_ontology
hydrazones
CHEBI:38532
hydrazone
hydrazones
IUPAC
hydrazones
ChEBI
Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms.
difluorobenzene
chebi_ontology
Difluorbenzol
difluorobenzenes
CHEBI:38582
difluorobenzene
difluorobenzene
IUPAC
Difluorbenzol
ChEBI
difluorobenzenes
ChEBI
A difluorobenzene carrying fluoro groups at positions 1 and 3.
0
C6H4F2
InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H
UEMGWPRHOOEKTA-UHFFFAOYSA-N
114.09277
114.02811
Fc1cccc(F)c1
Beilstein:1904537
CAS:372-18-9
Gmelin:200891
PMID:15535712
PMID:22707282
Patent:CN101607874
Patent:CN1634895
Patent:CN1765887
Reaxys:1904537
1,3-difluorobenzene
chebi_ontology
1,3-Difluorbenzol
m-difluorobenzene
meta-difluorobenzene
CHEBI:38584
1,3-difluorobenzene
Beilstein:1904537
Beilstein
CAS:372-18-9
ChemIDplus
CAS:372-18-9
NIST Chemistry WebBook
Gmelin:200891
Gmelin
PMID:15535712
Europe PMC
PMID:22707282
Europe PMC
Reaxys:1904537
Reaxys
1,3-difluorobenzene
IUPAC
1,3-Difluorbenzol
ChEBI
m-difluorobenzene
ChemIDplus
meta-difluorobenzene
NIST_Chemistry_WebBook
0
C2H3N3
69.065
69.03270
triazole
chebi_ontology
CHEBI:38597
triazole
triazole
IUPAC
An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
Wikipedia:Monoamine_oxidase_inhibitor
chebi_ontology
EC 1.4.3.4 (monoamine oxidase) inhibitors
EC 1.4.3.4 inhibitor
EC 1.4.3.4 inhibitors
MAO A inhibitor
MAO A inhibitors
MAO B inhibitor
MAO B inhibitors
MAO inhibitor
MAO inhibitors
MAO-A inhibitor
MAO-A inhibitors
MAO-B inhibitor
MAO-B inhibitors
adrenalin oxidase inhibitor
adrenalin oxidase inhibitors
adrenaline oxidase inhibitor
adrenaline oxidase inhibitors
amine oxidase (flavin-containing) inhibitor
amine oxidase (flavin-containing) inhibitors
amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor
amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors
amine:oxygen oxidoreductase (deaminating) inhibitor
amine:oxygen oxidoreductase (deaminating) inhibitors
epinephrine oxidase inhibitor
epinephrine oxidase inhibitors
monoamine oxidase (EC 1.4.3.4) inhibitor
monoamine oxidase (EC 1.4.3.4) inhibitors
monoamine oxidase A inhibitor
monoamine oxidase A inhibitors
monoamine oxidase B inhibitor
monoamine oxidase B inhibitors
monoamine oxidase inhibitor
monoamine oxidase inhibitors
monoamine:O2 oxidoreductase (deaminating) inhibitor
monoamine:O2 oxidoreductase (deaminating) inhibitors
serotonin deaminase inhibitor
serotonin deaminase inhibitors
tyraminase inhibitor
tyraminase inhibitors
tyramine oxidase inhibitor
tyramine oxidase inhibitors
CHEBI:38623
EC 1.4.3.4 (monoamine oxidase) inhibitor
EC 1.4.3.4 (monoamine oxidase) inhibitors
ChEBI
EC 1.4.3.4 inhibitor
ChEBI
EC 1.4.3.4 inhibitors
ChEBI
MAO A inhibitor
ChEBI
MAO A inhibitors
ChEBI
MAO B inhibitor
ChEBI
MAO B inhibitors
ChEBI
MAO inhibitor
ChEBI
MAO inhibitors
ChEBI
MAO-A inhibitor
ChEBI
MAO-A inhibitors
ChEBI
MAO-B inhibitor
ChEBI
MAO-B inhibitors
ChEBI
adrenalin oxidase inhibitor
ChEBI
adrenalin oxidase inhibitors
ChEBI
adrenaline oxidase inhibitor
ChEBI
adrenaline oxidase inhibitors
ChEBI
amine oxidase (flavin-containing) inhibitor
ChEBI
amine oxidase (flavin-containing) inhibitors
ChEBI
amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor
ChEBI
amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors
ChEBI
amine:oxygen oxidoreductase (deaminating) inhibitor
ChEBI
amine:oxygen oxidoreductase (deaminating) inhibitors
ChEBI
epinephrine oxidase inhibitor
ChEBI
epinephrine oxidase inhibitors
ChEBI
monoamine oxidase (EC 1.4.3.4) inhibitor
ChEBI
monoamine oxidase (EC 1.4.3.4) inhibitors
ChEBI
monoamine oxidase A inhibitor
ChEBI
monoamine oxidase A inhibitors
ChEBI
monoamine oxidase B inhibitor
ChEBI
monoamine oxidase B inhibitors
ChEBI
monoamine oxidase inhibitor
ChEBI
monoamine oxidase inhibitors
ChEBI
monoamine:O2 oxidoreductase (deaminating) inhibitor
ChEBI
monoamine:O2 oxidoreductase (deaminating) inhibitors
ChEBI
serotonin deaminase inhibitor
ChEBI
serotonin deaminase inhibitors
ChEBI
tyraminase inhibitor
ChEBI
tyraminase inhibitors
ChEBI
tyramine oxidase inhibitor
ChEBI
tyramine oxidase inhibitors
ChEBI
Any agent that affects the transport of molecular entities across a biological membrane.
chebi_ontology
membrane transport modulators
CHEBI:38632
membrane transport modulator
membrane transport modulators
ChEBI
organic sodium salt
chebi_ontology
organic sodium salts
CHEBI:38700
organic sodium salt
organic sodium salt
ChEBI
organic sodium salts
ChEBI
chebi_ontology
inorganic sodium salts
CHEBI:38702
inorganic sodium salt
inorganic sodium salts
ChEBI
Any dianion containing at least one carboxy group.
carboxylic acid dianion
chebi_ontology
carboxylic acid dianions
CHEBI:38716
carboxylic acid dianion
carboxylic acid dianion
ChEBI
carboxylic acid dianions
ChEBI
A monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group attached to the quinoline skeleton
chebi_ontology
quinolinemonocarboxylates
CHEBI:38773
quinolinemonocarboxylate
quinolinemonocarboxylates
ChEBI
Any compound containing morpholine as part of its structure.
chebi_ontology
CHEBI:38785
morpholines
A membrane transport modulator that is able to regulate intracellular calcium levels.
chebi_ontology
calcium channel modulators
CHEBI:38808
calcium channel modulator
calcium channel modulators
ChEBI
Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.
chebi_ontology
CHEBI:38922
dibenzofurans
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
Bronsted acid
chebi_ontology
Bronsted-Saeure
acide de Bronsted
donneur d'hydron
hydron donor
CHEBI:39141
Bronsted acid
Bronsted acid
IUPAC
Bronsted-Saeure
ChEBI
acide de Bronsted
IUPAC
donneur d'hydron
IUPAC
hydron donor
IUPAC
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
Bronsted base
chebi_ontology
Bronsted-Base
accepteur d'hydron
base de Bronsted
hydron acceptor
CHEBI:39142
Bronsted base
Bronsted base
IUPAC
Bronsted-Base
ChEBI
accepteur d'hydron
IUPAC
base de Bronsted
IUPAC
hydron acceptor
IUPAC
A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct.
Lewis base
chebi_ontology
Lewis-Base
base de Lewis
donneur d'une paire d'electrons
electron donor
CHEBI:39144
Lewis base
Lewis base
IUPAC
Lewis-Base
ChEBI
base de Lewis
IUPAC
donneur d'une paire d'electrons
ChEBI
electron donor
ChEBI
trichostatin
chebi_ontology
trichostatins
CHEBI:39146
trichostatin
trichostatin
ChEBI
trichostatins
ChEBI
0
C17H21NO3
InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+
VKEITMNFEJHFCX-WKWSCTOISA-N
287.35358
287.15214
CC(C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O
Beilstein:2386556
CAS:114127-17-2
(2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
trichostatic acid
chebi_ontology
(+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid
CHEBI:39157
trichostatic acid
Beilstein:2386556
Beilstein
CAS:114127-17-2
ChemIDplus
(2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
IUPAC
trichostatic acid
ChemIDplus
(+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid
ChemIDplus
0
C17H21NO3
InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m1/s1
VKEITMNFEJHFCX-QEQCGCAPSA-N
287.35358
287.15214
C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O
Beilstein:5284073
Beilstein:6893749
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
chebi_ontology
(+)-Trichostatsaeure
(+)-trichostatic acid
CHEBI:39158
(R)-trichostatic acid
Beilstein:5284073
Beilstein
Beilstein:6893749
Beilstein
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
IUPAC
(+)-Trichostatsaeure
ChEBI
(+)-trichostatic acid
ChEBI
0
C17H21NO3
InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m0/s1
VKEITMNFEJHFCX-LEJRBOCMSA-N
287.35358
287.15214
C[C@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O
Beilstein:5284074
(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
chebi_ontology
(-)-Trichostatsaeure
(-)-trichostatic acid
CHEBI:39159
(S)-trichostatic acid
Beilstein:5284074
Beilstein
(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
IUPAC
(-)-Trichostatsaeure
ChEBI
(-)-trichostatic acid
ChEBI
Any organonitrogen heterocyclic compound based on a phenazine skeleton and derivatives.
chebi_ontology
CHEBI:39201
phenazines
chebi_ontology
CHEBI:39208
antibiotic insecticide
chebi_ontology
CHEBI:39209
macrolide insecticide
chebi_ontology
CHEBI:39213
avermectin insecticide
Mixture of 80% avermectin B1a and 20% avermectin B1b.
CAS:71751-41-2
Abamectin
chebi_ontology
Agri-Mek
Avid
MK 936
Zephyr
avermectin B1
CHEBI:39214
abamectin
CAS:71751-41-2
ChemIDplus
Abamectin
ChemIDplus
Agri-Mek
ChemIDplus
Avid
ChemIDplus
MK 936
ChemIDplus
Zephyr
ChemIDplus
avermectin B1
ChemIDplus
chebi_ontology
CHEBI:39215
antibiotic pesticide
chebi_ontology
CHEBI:39216
antibiotic acaricide
chebi_ontology
CHEBI:39217
antibiotic nematicide
chebi_ontology
CHEBI:39218
macrolide acaricide
chebi_ontology
CHEBI:39219
avermectin acaricide
chebi_ontology
CHEBI:39220
avermectin pesticide
chebi_ontology
CHEBI:39221
macrolide pesticide
A mixture of emamectin B1a (major component) and emamectin B1b (minor component).
CAS:119791-41-2
CAS:137335-79-6
emamectin
chebi_ontology
(4''R)- 4''-deoxy-4''-(methylamino)avermectin B1
4''-epi-methylamino-4''-deoxyavermectin B1
CHEBI:39230
emamectin
CAS:119791-41-2
ChemIDplus
CAS:137335-79-6
ChemIDplus
emamectin
ChemIDplus
(4''R)- 4''-deoxy-4''-(methylamino)avermectin B1
ChemIDplus
4''-epi-methylamino-4''-deoxyavermectin B1
ChemIDplus
0
C49H75NO13
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1
CXEGAUYXQAKHKJ-NSBHKLITSA-N
886.11874
885.52384
[H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C1)[C@]34O
Beilstein:8671728
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside
chebi_ontology
CHEBI:39231
emamectin B1a
Beilstein:8671728
Beilstein
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside
IUPAC
0
C48H73NO13
InChI=1S/C48H73NO13/c1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,47+,48+/m0/s1
DXIOOXFZLKCVHK-UTAOKEBVSA-N
872.09216
871.50819
[H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside
chebi_ontology
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside
CHEBI:39232
emamectin B1b
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside
IUPAC
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside
IUPAC
chebi_ontology
naphthofurans
CHEBI:39270
naphthofuran
naphthofurans
ChEBI
Any chemical substance that inhibits the life-cycle of an organism.
chebi_ontology
growth regulators
CHEBI:39317
growth regulator
growth regulators
ChEBI
Any compound with a 1,2,4-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 2 and 4 of the core benzene ring structure.
PMID:20194696
chebi_ontology
CHEBI:39410
1,2,4-triazines
PMID:20194696
Europe PMC
Any saturated fatty acid lacking a side-chain.
PMID:15644336
straight-chain saturated fatty acid
chebi_ontology
straight-chain saturated fatty acids
CHEBI:39418
straight-chain saturated fatty acid
PMID:15644336
Europe PMC
straight-chain saturated fatty acid
ChEBI
straight-chain saturated fatty acids
ChEBI
chebi_ontology
dioxolanes
CHEBI:39430
dioxolane
dioxolanes
ChEBI
A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
chebi_ontology
CHEBI:39442
fluorescent probe
CHEBI:13784
CHEBI:26445
CHEBI:7263
chebi_ontology
CHEBI:39446
pyrimidine ribonucleosides
Any compound having a pyrimidine as part of its structure.
CHEBI:13681
CHEBI:26448
chebi_ontology
CHEBI:39447
pyrimidines
Any azaalkane in which two or more carbons in the chain are replaced by nitrogen.
chebi_ontology
polyazaalkanes
CHEBI:39474
polyazaalkane
polyazaalkanes
ChEBI
A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated.
-1
H2O4P
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
NBIIXXVUZAFLBC-UHFFFAOYSA-M
96.98724
96.96962
[H]OP([O-])(=O)O[H]
CHEBI:29137
CHEBI:39739
DrugBank:DB02831
Gmelin:1999
PDBeChem:2HP
dihydrogen(tetraoxidophosphate)(1-)
dihydrogenphosphate
dihydrogentetraoxophosphate(1-)
dihydrogentetraoxophosphate(V)
dihydroxidodioxidophosphate(1-)
chebi_ontology
DIHYDROGENPHOSPHATE ION
H2PO4(-)
[PO2(OH)2](-)
CHEBI:39745
dihydrogenphosphate
Gmelin:1999
Gmelin
dihydrogen(tetraoxidophosphate)(1-)
IUPAC
dihydrogenphosphate
IUPAC
dihydrogentetraoxophosphate(1-)
IUPAC
dihydrogentetraoxophosphate(V)
IUPAC
dihydroxidodioxidophosphate(1-)
IUPAC
DIHYDROGENPHOSPHATE ION
PDBeChem
H2PO4(-)
IUPAC
[PO2(OH)2](-)
IUPAC
KEGG:C02019
Cyclic ketone
cyclic ketones
chebi_ontology
CHEBI:3992
cyclic ketone
Cyclic ketone
KEGG_COMPOUND
cyclic ketones
IUPAC
A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).
0
C3H6N2O2
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
DYDCUQKUCUHJBH-UWTATZPHSA-N
102.09190
102.04293
[H][C@@]1(N)CONC1=O
CHEBI:4030
Beilstein:80798
CAS:68-41-7
DrugBank:DB00260
Drug_Central:759
HMDB:HMDB0014405
KEGG:D00877
LINCS:LSM-5932
LIPID_MAPS_instance:LMPK14000007
MetaCyc:CPD-2482
PDBeChem:4AX
PMID:12076471
PMID:17707326
PMID:18316423
PMID:18486041
PMID:18930757
PMID:22234379
PMID:22368237
PMID:22632472
PMID:22892161
PMID:23174090
PMID:23416058
PMID:23438729
PMID:23523746
PMID:23542909
PMID:23656850
PMID:23685206
PMID:4555420
PMID:5006234
Patent:US2772280
Patent:US2840565
Reaxys:80798
Wikipedia:Cycloserine
(4R)-4-aminoisoxazolidin-3-one
D-Cycloserine
chebi_ontology
(+)-4-amino-3-isoxazolidinone
(+)-cycloserine
(R)-4-AMINO-ISOXAZOLIDIN-3-ONE
D-(+)-cycloserine
D-4-amino-3-isoxazolidinone
D-4-amino-3-isoxazolidone
DCS
PA 94
PA-94
Ro-1-9213
Seromycin
alpha-Cycloserine
cicloserina
cyclo-D-serine
cycloserine
cycloserinum
orientomycin
CHEBI:40009
D-cycloserine
Beilstein:80798
Beilstein
CAS:68-41-7
ChemIDplus
CAS:68-41-7
NIST Chemistry WebBook
Drug_Central:759
DrugCentral
LIPID_MAPS_instance:LMPK14000007
LIPID MAPS
PMID:12076471
Europe PMC
PMID:17707326
Europe PMC
PMID:18316423
Europe PMC
PMID:18486041
Europe PMC
PMID:18930757
Europe PMC
PMID:22234379
Europe PMC
PMID:22368237
Europe PMC
PMID:22632472
Europe PMC
PMID:22892161
Europe PMC
PMID:23174090
Europe PMC
PMID:23416058
Europe PMC
PMID:23438729
Europe PMC
PMID:23523746
Europe PMC
PMID:23542909
Europe PMC
PMID:23656850
Europe PMC
PMID:23685206
Europe PMC
PMID:4555420
Europe PMC
PMID:5006234
Europe PMC
Reaxys:80798
Reaxys
(4R)-4-aminoisoxazolidin-3-one
IUPAC
D-Cycloserine
ChemIDplus
D-Cycloserine
KEGG_COMPOUND
(+)-4-amino-3-isoxazolidinone
ChemIDplus
(+)-cycloserine
ChEBI
(R)-4-AMINO-ISOXAZOLIDIN-3-ONE
PDBeChem
D-(+)-cycloserine
ChEBI
D-4-amino-3-isoxazolidinone
ChemIDplus
D-4-amino-3-isoxazolidone
ChemIDplus
DCS
ChemIDplus
PA 94
ChemIDplus
PA-94
ChemIDplus
Ro-1-9213
ChemIDplus
Seromycin
ChemIDplus
alpha-Cycloserine
NIST_Chemistry_WebBook
cicloserina
ChemIDplus
cyclo-D-serine
ChemIDplus
cycloserine
ChemIDplus
cycloserine
WHO_MedNet
cycloserinum
ChemIDplus
orientomycin
ChemIDplus
A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.
0
C62H111N11O12
InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
PMATZTZNYRCHOR-CGLBZJNRSA-N
1202.635
1201.84137
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
CHEBI:63586
CHEBI:91802
Beilstein:3647785
CAS:59865-13-3
Chemspider:4447449
DrugBank:DB00091
Drug_Central:760
HMDB:HMDB0250682
KEGG:C05086
KEGG:D00184
KNApSAcK:C00001517
LINCS:LSM-1703
LIPID_MAPS_instance:LMPK14000003
MetaCyc:CPD-20532
PMID:11058832
PMID:11069928
PMID:11079273
PMID:11080188
PMID:11238591
PMID:11256490
PMID:11278005
PMID:11315347
PMID:11370709
PMID:11406057
PMID:11426833
PMID:11442023
PMID:11481617
PMID:11493684
PMID:11529914
PMID:11557554
PMID:11564166
PMID:11676831
PMID:11870366
PMID:12021257
PMID:12050171
PMID:12603598
PMID:12761440
PMID:12929192
PMID:12950728
PMID:14521916
PMID:14621732
PMID:14638917
PMID:14672695
PMID:14682659
PMID:14743390
PMID:15030555
PMID:15175101
PMID:15210365
PMID:15306697
PMID:15383526
PMID:15541012
PMID:15613074
PMID:15626898
PMID:15657176
PMID:1566062
PMID:15711594
PMID:15811524
PMID:15962181
PMID:16372476
PMID:16404634
PMID:16724420
PMID:16801218
PMID:16898534
PMID:17032751
PMID:17083576
PMID:17117422
PMID:17192032
PMID:17220244
PMID:17229932
PMID:17265451
PMID:17446460
PMID:17603747
PMID:18076075
PMID:18171316
PMID:18191430
PMID:18217899
PMID:18259730
PMID:18299432
PMID:18359899
PMID:18583716
PMID:18597363
PMID:18790203
PMID:18818682
PMID:18931077
PMID:18975184
PMID:19282398
PMID:19589783
PMID:21752960
PMID:23620378
PMID:24134630
PMID:31144214
PMID:34561200
PMID:34561814
Patent:US4117118
Reaxys:3647785
VSDB:1765
Wikipedia:Ciclosporin
30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Cyclosporin A
cyclosporin A
chebi_ontology
(R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)
1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]
30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Antibiotic S 7481F1
Ciclosporin
Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)
Cyclosporine
Gengraf
Neoral
Sandimmune
ciclosporin
ciclosporina
ciclosporine
ciclosporinum
CHEBI:4031
cyclosporin A
Beilstein:3647785
Beilstein
CAS:59865-13-3
ChemIDplus
CAS:59865-13-3
KEGG COMPOUND
Drug_Central:760
DrugCentral
LIPID_MAPS_instance:LMPK14000003
LIPID MAPS
PMID:11058832
Europe PMC
PMID:11069928
Europe PMC
PMID:11079273
Europe PMC
PMID:11080188
Europe PMC
PMID:11238591
Europe PMC
PMID:11256490
Europe PMC
PMID:11278005
Europe PMC
PMID:11315347
Europe PMC
PMID:11370709
Europe PMC
PMID:11406057
Europe PMC
PMID:11426833
Europe PMC
PMID:11442023
Europe PMC
PMID:11481617
Europe PMC
PMID:11493684
Europe PMC
PMID:11529914
Europe PMC
PMID:11557554
Europe PMC
PMID:11564166
Europe PMC
PMID:11676831
Europe PMC
PMID:11870366
Europe PMC
PMID:12021257
Europe PMC
PMID:12050171
Europe PMC
PMID:12603598
Europe PMC
PMID:12761440
Europe PMC
PMID:12929192
Europe PMC
PMID:12950728
Europe PMC
PMID:14521916
Europe PMC
PMID:14621732
Europe PMC
PMID:14638917
Europe PMC
PMID:14672695
Europe PMC
PMID:14682659
Europe PMC
PMID:14743390
Europe PMC
PMID:15030555
Europe PMC
PMID:15175101
Europe PMC
PMID:15210365
Europe PMC
PMID:15306697
Europe PMC
PMID:15383526
Europe PMC
PMID:15541012
Europe PMC
PMID:15613074
Europe PMC
PMID:15626898
Europe PMC
PMID:15657176
Europe PMC
PMID:1566062
Europe PMC
PMID:15711594
Europe PMC
PMID:15811524
Europe PMC
PMID:15962181
Europe PMC
PMID:16372476
Europe PMC
PMID:16404634
Europe PMC
PMID:16724420
Europe PMC
PMID:16801218
Europe PMC
PMID:16898534
Europe PMC
PMID:17032751
Europe PMC
PMID:17083576
Europe PMC
PMID:17117422
Europe PMC
PMID:17192032
Europe PMC
PMID:17220244
Europe PMC
PMID:17229932
Europe PMC
PMID:17265451
Europe PMC
PMID:17446460
Europe PMC
PMID:17603747
Europe PMC
PMID:18076075
Europe PMC
PMID:18171316
Europe PMC
PMID:18191430
Europe PMC
PMID:18217899
Europe PMC
PMID:18259730
Europe PMC
PMID:18299432
Europe PMC
PMID:18359899
Europe PMC
PMID:18583716
Europe PMC
PMID:18597363
Europe PMC
PMID:18790203
Europe PMC
PMID:18818682
Europe PMC
PMID:18931077
Europe PMC
PMID:18975184
Europe PMC
PMID:19282398
Europe PMC
PMID:19589783
Europe PMC
PMID:21752960
Europe PMC
PMID:23620378
Europe PMC
PMID:24134630
Europe PMC
PMID:31144214
Europe PMC
PMID:34561200
Europe PMC
PMID:34561814
Europe PMC
Reaxys:3647785
Reaxys
30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC
Cyclosporin A
KEGG_COMPOUND
cyclosporin A
UniProt
(R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)
ChEBI
1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]
JCBN
30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
ChEBI
Antibiotic S 7481F1
ChemIDplus
Ciclosporin
KEGG_COMPOUND
Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl)
ChemIDplus
Cyclosporine
ChemIDplus
Cyclosporine
KEGG_COMPOUND
Gengraf
DrugBank
Neoral
DrugBank
Sandimmune
DrugBank
ciclosporin
KEGG_DRUG
ciclosporina
ChemIDplus
ciclosporine
ChemIDplus
ciclosporinum
ChemIDplus
Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract.
0
C22H25N3O7S
InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1
JUZNIMUFDBIJCM-ANEDZVCMSA-N
475.51500
475.14132
[H][C@]1(CN[C@@]([H])(C1)C(=O)Nc1cccc(c1)C(O)=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C(O)=O
CHEBI:471574
Beilstein:9025520
CAS:153832-46-3
DrugBank:DB00303
Drug_Central:1046
KEGG:D07908
Patent:US5478820
Patent:WO9315078
Wikipedia:Ertapenem
(4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
ERTAPENEM
chebi_ontology
(1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid
(4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
ertapenem
CHEBI:404903
ertapenem
Beilstein:9025520
Beilstein
CAS:153832-46-3
ChemIDplus
CAS:153832-46-3
KEGG DRUG
Drug_Central:1046
DrugCentral
(4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC
ERTAPENEM
ChEMBL
(1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid
ChEBI
(4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
ChEMBL
ertapenem
KEGG_DRUG
An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.
0
C22H17N3O5
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
WFDXOXNFNRHQEC-GHRIWEEISA-N
403.38750
403.11682
CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Beilstein:8350244
CAS:131860-33-8
KEGG:C18558
PDBeChem:AZO
PMID:20818521
PMID:21153804
PMID:21671616
PMID:21777591
PMID:21884765
PMID:22092932
PMID:22224459
PMID:22278367
PMID:24125711
PMID:24405376
PMID:24700092
PMID:24726979
PMID:25011117
PMID:25090100
PMID:25196149
PPDB:54
Patent:EP382375
Patent:US5395837
Pesticides:azoxystrobin
Reaxys:8350244
Wikipedia:Azoxystrobin
methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate
chebi_ontology
(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate
CHEBI:40909
azoxystrobin
Beilstein:8350244
Beilstein
CAS:131860-33-8
ChemIDplus
CAS:131860-33-8
KEGG COMPOUND
PMID:20818521
Europe PMC
PMID:21153804
Europe PMC
PMID:21671616
Europe PMC
PMID:21777591
Europe PMC
PMID:21884765
Europe PMC
PMID:22092932
Europe PMC
PMID:22224459
Europe PMC
PMID:22278367
Europe PMC
PMID:24125711
Europe PMC
PMID:24405376
Europe PMC
PMID:24700092
Europe PMC
PMID:24726979
Europe PMC
PMID:25011117
Europe PMC
PMID:25090100
Europe PMC
PMID:25196149
Europe PMC
Pesticides:azoxystrobin
Alan Wood's Pesticides
Reaxys:8350244
Reaxys
methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate
IUPAC
(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester
ChEBI
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate
ChEBI
chebi_ontology
CHEBI:41032
5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium
The 1H-tautomer of benzimidazole.
0
C7H6N2
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
HYZJCKYKOHLVJF-UHFFFAOYSA-N
118.13602
118.05310
c1ccc2[nH]cnc2c1
CHEBI:3028
CHEBI:41272
Beilstein:109682
CAS:51-17-2
DrugBank:DB02962
Gmelin:3106
KEGG:C02009
MetaCyc:BENZIMIDAZOLE
PDBeChem:BZI
PMID:24152176
PMID:8070089
Reaxys:109682
Wikipedia:Benzimidazole
1H-benzimidazole
chebi_ontology
1,3-benzodiazole
1,3-diazaindene
BENZIMIDAZOLE
Benzimidazole
Hbim
Hbzim
azindole
benzimidazole
benzoglyoxaline
o-benzimidazole
CHEBI:41275
1H-benzimidazole
Beilstein:109682
Beilstein
CAS:51-17-2
ChemIDplus
CAS:51-17-2
KEGG COMPOUND
CAS:51-17-2
NIST Chemistry WebBook
Gmelin:3106
Gmelin
PMID:24152176
Europe PMC
PMID:8070089
Europe PMC
Reaxys:109682
Reaxys
1H-benzimidazole
IUPAC
1,3-benzodiazole
ChemIDplus
1,3-diazaindene
ChemIDplus
BENZIMIDAZOLE
PDBeChem
Benzimidazole
KEGG_COMPOUND
Hbim
IUPAC
Hbzim
IUPAC
azindole
ChemIDplus
benzimidazole
IUPAC
benzoglyoxaline
ChemIDplus
o-benzimidazole
NIST_Chemistry_WebBook
-2
CO3
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
BVKZGUZCCUSVTD-UHFFFAOYSA-L
60.00890
59.98584
[O-]C([O-])=O
CHEBI:29201
CHEBI:41605
Beilstein:3600898
CAS:3812-32-6
Gmelin:1559
PDBeChem:CO3
carbonate
trioxidocarbonate(2-)
chebi_ontology
CARBONATE ION
CO3(2-)
Karbonat
[CO3](2-)
CHEBI:41609
carbonate
Beilstein:3600898
Beilstein
CAS:3812-32-6
ChemIDplus
Gmelin:1559
Gmelin
carbonate
IUPAC
trioxidocarbonate(2-)
IUPAC
CARBONATE ION
PDBeChem
CO3(2-)
ChEBI
Karbonat
ChEBI
[CO3](2-)
IUPAC
A glucopyranose having D-configuration.
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
WQZGKKKJIJFFOK-GASJEMHNSA-N
180.15588
180.06339
OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Beilstein:1281604
CAS:2280-44-6
GlyGen:G15021LG
GlyTouCan:G15021LG
Gmelin:83256
HMDB:HMDB0000122
KEGG:C00031
KEGG:D00009
KNApSAcK:C00001122
MetaCyc:D-Glucose
PMID:15987845
PMID:16901854
PMID:17336832
PMID:17439666
PMID:17928662
PMID:19913595
PMID:26812026
PMID:32619908
PMID:7524207
PMID:9140037
PMID:9501190
PMID:9506998
PMID:9545565
Reaxys:1281604
Wikipedia:Glucose
D-glucopyranose
chebi_ontology
D-Glc
D-Glcp
D-Glucose
D-glucose
Dextrose
Glc-OH
Glucose
Grape sugar
WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/
glucose
CHEBI:4167
D-glucopyranose
Beilstein:1281604
Beilstein
CAS:2280-44-6
ChemIDplus
Gmelin:83256
Gmelin
PMID:15987845
Europe PMC
PMID:16901854
Europe PMC
PMID:17336832
Europe PMC
PMID:17439666
Europe PMC
PMID:17928662
Europe PMC
PMID:19913595
Europe PMC
PMID:26812026
Europe PMC
PMID:32619908
Europe PMC
PMID:7524207
Europe PMC
PMID:9140037
Europe PMC
PMID:9501190
Europe PMC
PMID:9506998
Europe PMC
PMID:9545565
Europe PMC
Reaxys:1281604
Reaxys
D-glucopyranose
IUPAC
D-Glc
ChEBI
D-Glcp
ChEBI
D-Glucose
KEGG_COMPOUND
D-glucose
UniProt
Dextrose
KEGG_COMPOUND
Glc-OH
ChEBI
Glucose
KEGG_COMPOUND
Grape sugar
KEGG_COMPOUND
WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/
GlyTouCan
glucose
ChEBI
chebi_ontology
CHEBI:417636
4-{((R)-2-Carboxy-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-[(Z)-methoxyimino]-methyl}-thiazol-2-yl-ammonium
A hexose that has D-configuration at position 5.
0
C6H12O6
180.156
180.06339
KEGG:C00738
D-Hexose
D-hexopyranose
chebi_ontology
D-hexoses
a D-hexose
CHEBI:4194
D-hexose
D-Hexose
KEGG_COMPOUND
D-hexopyranose
IUPAC
D-hexoses
ChEBI
a D-hexose
UniProt
A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.
0
C6H12F2N2O2
InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
VLCYCQAOQCDTCN-UHFFFAOYSA-N
182.16850
182.08668
NCCCC(N)(C(F)F)C(O)=O
CHEBI:41946
CHEBI:4761
Beilstein:2250529
CAS:67037-37-0
CAS:70052-12-9
DrugBank:DB03856
Drug_Central:990
KEGG:C07997
KEGG:D07883
PDBeChem:DMO
PMID:16541214
PMID:23771434
PMID:24144414
Reaxys:2250529
Wikipedia:Eflornithine
2,5-diamino-2-(difluoromethyl)pentanoic acid
2-(difluoromethyl)ornithine
Eflornithine
chebi_ontology
ALPHA-DIFLUOROMETHYLORNITHINE
DFMO
DL-Ornithine, 2-(difluoromethyl)-
alpha-(Difluoromethyl)-DL-ornithine
alpha-difluoromethylornithine
CHEBI:41948
eflornithine
Beilstein:2250529
ChemIDplus
CAS:67037-37-0
ChemIDplus
CAS:67037-37-0
KEGG COMPOUND
CAS:70052-12-9
ChemIDplus
Drug_Central:990
DrugCentral
PMID:16541214
Europe PMC
PMID:23771434
Europe PMC
PMID:24144414
Europe PMC
Reaxys:2250529
Reaxys
2,5-diamino-2-(difluoromethyl)pentanoic acid
IUPAC
2-(difluoromethyl)ornithine
IUPAC
Eflornithine
KEGG_COMPOUND
ALPHA-DIFLUOROMETHYLORNITHINE
PDBeChem
DFMO
ChemIDplus
DL-Ornithine, 2-(difluoromethyl)-
KEGG_COMPOUND
alpha-(Difluoromethyl)-DL-ornithine
DrugCentral
alpha-difluoromethylornithine
ChemIDplus
An alkane comprising of two carbon atoms.
0
C2H6
InChI=1S/C2H6/c1-2/h1-2H3
OTMSDBZUPAUEDD-UHFFFAOYSA-N
30.06904
30.04695
CC
CHEBI:23975
CHEBI:42260
Beilstein:1730716
CAS:74-84-0
Gmelin:212
PMID:12826252
PMID:14664856
PMID:16236899
Reaxys:1730716
Wikipedia:Ethane
ETHANE
ethane
chebi_ontology
Aethan
C2H6
CH3-CH3
Ethan
R-170
bimethyl
dimethyl
ethyl hydride
methylmethane
CHEBI:42266
ethane
Beilstein:1730716
Beilstein
CAS:74-84-0
ChemIDplus
CAS:74-84-0
NIST Chemistry WebBook
Gmelin:212
Gmelin
PMID:12826252
Europe PMC
PMID:14664856
Europe PMC
PMID:16236899
Europe PMC
Reaxys:1730716
Reaxys
ETHANE
PDBeChem
ethane
IUPAC
Aethan
ChEBI
C2H6
ChEBI
CH3-CH3
IUPAC
Ethan
ChEBI
R-170
ChEBI
bimethyl
NIST_Chemistry_WebBook
dimethyl
NIST_Chemistry_WebBook
ethyl hydride
NIST_Chemistry_WebBook
methylmethane
NIST_Chemistry_WebBook
An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.
0
C37H67NO13
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
ULGZDMOVFRHVEP-RWJQBGPGSA-N
733.92680
733.46124
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEBI:112506
CHEBI:23950
CHEBI:28672
CHEBI:42352
CHEBI:4841
CHEBI:4843
Beilstein:75000
Beilstein:75279
CAS:114-07-8
CAS:1675-02-1
DrugBank:DB00199
Drug_Central:1048
KEGG:C01912
KEGG:D00140
LINCS:LSM-3416
LIPID_MAPS_instance:LMPK04000006
MetaCyc:CPD-13804
PDBeChem:ERY
Patent:US2823203
Reaxys:75279
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
ERYTHROMYCIN A
Erythromycin A
erythromycin
chebi_ontology
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
3''-O-demethylerythromycin
Abomacetin
ERYTHROMYCIN
Erythromycin
Erythromycin C
eritromicina
erthromycin
erythromycin
erythromycine
erythromycinum
CHEBI:42355
erythromycin A
Beilstein:75000
Beilstein
Beilstein:75279
Beilstein
CAS:114-07-8
ChemIDplus
CAS:114-07-8
KEGG COMPOUND
CAS:1675-02-1
ChemIDplus
Drug_Central:1048
DrugCentral
LIPID_MAPS_instance:LMPK04000006
LIPID MAPS
Reaxys:75279
Reaxys
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
IUPAC
ERYTHROMYCIN A
PDBeChem
Erythromycin A
ChEMBL
Erythromycin A
KEGG_COMPOUND
erythromycin
IUPAC
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
IUPAC
3''-O-demethylerythromycin
ChemIDplus
Abomacetin
KEGG_COMPOUND
ERYTHROMYCIN
ChEMBL
Erythromycin
ChEMBL
Erythromycin
KEGG_COMPOUND
Erythromycin C
KEGG_COMPOUND
eritromicina
ChemIDplus
erthromycin
ChEBI
erythromycin
ChemIDplus
erythromycine
ChemIDplus
erythromycinum
ChemIDplus
0
CHO
29.01804
29.00274
[H]C(*)=O
CHEBI:24089
CHEBI:42480
PDBeChem:FOR
FORMYL GROUP
aldehyde group
carbaldehyde
formyl
chebi_ontology
-CH(O)
-CHO
Fo
H-CO-
methanoyl
CHEBI:42485
formyl group
FORMYL GROUP
PDBeChem
aldehyde group
IUPAC
carbaldehyde
IUPAC
formyl
IUPAC
-CH(O)
IUPAC
-CHO
IUPAC
Fo
CBN
H-CO-
IUPAC
methanoyl
IUPAC
0
HO
17.00734
17.00274
*O[H]
CHEBI:24706
CHEBI:43171
PDBeChem:OH
HYDROXY GROUP
hydroxy
hydroxy group
chebi_ontology
-OH
hydroxyl
hydroxyl group
CHEBI:43176
hydroxy group
HYDROXY GROUP
PDBeChem
hydroxy
IUPAC
hydroxy group
UniProt
-OH
IUPAC
hydroxyl
ChEBI
hydroxyl group
ChEBI
chebi_ontology
CHEBI:43254
(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
A phosphate ion that is the conjugate base of dihydrogenphosphate.
-2
HO4P
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
NBIIXXVUZAFLBC-UHFFFAOYSA-L
95.97930
95.96234
OP([O-])([O-])=O
CHEBI:29139
CHEBI:43470
Gmelin:1998
MolBase:1628
PDBeChem:PI
PDBeChem:PO4
hydrogen(tetraoxidophosphate)(2-)
hydrogenphosphate
hydrogentetraoxophosphate(2-)
hydrogentetraoxophosphate(V)
hydroxidotrioxidophosphate(2-)
chebi_ontology
HPO4(2-)
HYDROGENPHOSPHATE ION
INORGANIC PHOSPHATE GROUP
[P(OH)O3](2-)
[PO3(OH)](2-)
hydrogen phosphate
phosphate
CHEBI:43474
hydrogenphosphate
Gmelin:1998
Gmelin
hydrogen(tetraoxidophosphate)(2-)
IUPAC
hydrogenphosphate
IUPAC
hydrogentetraoxophosphate(2-)
IUPAC
hydrogentetraoxophosphate(V)
IUPAC
hydroxidotrioxidophosphate(2-)
IUPAC
HPO4(2-)
IUPAC
HYDROGENPHOSPHATE ION
PDBeChem
INORGANIC PHOSPHATE GROUP
PDBeChem
[P(OH)O3](2-)
MolBase
[PO3(OH)](2-)
IUPAC
hydrogen phosphate
ChEBI
phosphate
UniProt
A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.
0
C17H25N3O5S
InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
DMJNNHOOLUXYBV-PQTSNVLCSA-N
383.46300
383.15149
[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Beilstein:6826115
CAS:96036-03-2
DrugBank:DB00760
Drug_Central:1709
LINCS:LSM-5208
PDBeChem:MER
PMID:10776838
PMID:11069213
PMID:18611786
PMID:18645546
PMID:28343819
PMID:28371721
PMID:28583381
PMID:28669829
PMID:28677407
PMID:7588092
Patent:EP126587
Patent:US4943569
Wikipedia:Meropenem
(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid
Meropenem
chebi_ontology
(1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]-1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID
(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Antibiotic SM 7338
MEPM
meropenem
meropenem anhydrous
meropenemum
CHEBI:43968
meropenem
Beilstein:6826115
Beilstein
CAS:96036-03-2
ChemIDplus
Drug_Central:1709
DrugCentral
PMID:10776838
Europe PMC
PMID:11069213
Europe PMC
PMID:18611786
Europe PMC
PMID:18645546
Europe PMC
PMID:28343819
Europe PMC
PMID:28371721
Europe PMC
PMID:28583381
Europe PMC
PMID:28669829
Europe PMC
PMID:28677407
Europe PMC
PMID:7588092
Europe PMC
(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid
IUPAC
Meropenem
ChemIDplus
(1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]-1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID
PDBeChem
(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC
Antibiotic SM 7338
DrugBank
MEPM
ChEBI
meropenem
ChEBI
meropenem anhydrous
ChemIDplus
meropenemum
DrugBank
A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae.
0
C28H47NO4S
InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
UURAUHCOJAIIRQ-QGLSALSOSA-N
493.74200
493.32258
CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)[C@H](C)CC3
CHEBI:29695
CAS:55297-95-5
KEGG:C12065
KEGG:D06127
PDBeChem:MUL
PMID:15013817
PMID:16253666
PMID:25592328
PMID:3170319
PMID:3686511
Patent:DE2248237
Patent:US3919290
Reaxys:7348837
Wikipedia:Tiamulin
(3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate
chebi_ontology
tiamulin
tiamulina
tiamuline
tiamulinum
CHEBI:44137
tiamulin
CAS:55297-95-5
ChemIDplus
CAS:55297-95-5
KEGG COMPOUND
PMID:15013817
Europe PMC
PMID:16253666
Europe PMC
PMID:25592328
Europe PMC
PMID:3170319
Europe PMC
PMID:3686511
Europe PMC
Reaxys:7348837
Reaxys
(3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate
IUPAC
tiamulin
WHO_MedNet
tiamulina
WHO_MedNet
tiamuline
WHO_MedNet
tiamulinum
WHO_MedNet
A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids.
0
H3O3P
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
ABLZXFCXXLZCGV-UHFFFAOYSA-N
81.99580
81.98198
OP(O)=O
CHEBI:26067
CAS:13598-36-2
Gmelin:1619
KEGG:C06701
PDBeChem:PHS
Reaxys:1209272
Wikipedia:Phosphonic_acid
Phosphonic acid
dihydrogen hydridotrioxophosphate(2-)
hydridodihydroxidooxidophosphorus
hydridotrioxophosphoric(2-) acid
phosphonic acid
chebi_ontology
(HO)2HPO
H2PHO3
H3PO3
HPO(OH)2
Phosphite
Phosphonate
Phosphonsaeure
[PHO(OH)2]
CHEBI:44976
phosphonic acid
CAS:13598-36-2
ChemIDplus
CAS:13598-36-2
KEGG COMPOUND
CAS:13598-36-2
NIST Chemistry WebBook
Gmelin:1619
Gmelin
Reaxys:1209272
Reaxys
Phosphonic acid
KEGG_COMPOUND
dihydrogen hydridotrioxophosphate(2-)
IUPAC
hydridodihydroxidooxidophosphorus
IUPAC
hydridotrioxophosphoric(2-) acid
IUPAC
phosphonic acid
ChEBI
(HO)2HPO
NIST_Chemistry_WebBook
H2PHO3
IUPAC
H3PO3
ChEBI
HPO(OH)2
IUPAC
Phosphite
KEGG_COMPOUND
Phosphonate
KEGG_COMPOUND
Phosphonsaeure
ChEBI
[PHO(OH)2]
IUPAC
A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid.
-3
O3P
InChI=1S/O3P/c1-4(2)3/q-3
AQSJGOWTSHOLKH-UHFFFAOYSA-N
78.97196
78.96015
[O-]P([O-])[O-]
CHEBI:29197
CHEBI:45060
Gmelin:68617
PDBeChem:PO3
trioxidophosphate(3-)
trioxophosphate(3-)
trioxophosphate(III)
chebi_ontology
PHOSPHITE ION
PO3(3-)
Phosphit
[PO3](3-)
phosphite
CHEBI:45064
phosphite(3-)
Gmelin:68617
Gmelin
trioxidophosphate(3-)
IUPAC
trioxophosphate(3-)
IUPAC
trioxophosphate(III)
IUPAC
PHOSPHITE ION
PDBeChem
PO3(3-)
IUPAC
Phosphit
ChEBI
[PO3](3-)
IUPAC
phosphite
IUPAC
A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.
0
C19H24N4O2
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
XDRYMKDFEDOLFX-UHFFFAOYSA-N
340.420
340.18993
C(CCCOC1=CC=C(C=C1)C(N)=N)COC2=CC=C(C=C2)C(N)=N
CHEBI:45077
CHEBI:7976
Beilstein:3159790
CAS:100-33-4
DrugBank:DB00738
Drug_Central:2090
HMDB:HMDB0014876
KEGG:C07420
KEGG:D08333
LINCS:LSM-4540
PDBeChem:PNT
PMID:10415905
PMID:10917591
PMID:11438428
PMID:11584934
PMID:14603035
PMID:15711592
PMID:18346045
PMID:18971316
PMID:19966562
PMID:20144237
PMID:20599360
PMID:22046004
PMID:22093811
PMID:22200378
PMID:22327112
PMID:26052915
PMID:26117647
PMID:26295040
PMID:26344166
PMID:26418240
PMID:26431253
PMID:26515653
PMID:26606757
PMID:26648589
PMID:26734860
PMID:26824946
PMID:26828608
PMID:26882015
PMID:26903605
PMID:26938448
PMID:27011917
PMID:27135970
PMID:27164533
PMID:27214074
PMID:27297108
PMID:27353022
PMID:27357655
PMID:27600039
PMID:27729250
PMID:28074607
PMID:28167598
PMID:28263303
PMID:7542607
PMID:7690919
PMID:8841838
Patent:EP975608
Patent:GB507565
Patent:US2006235001
Patent:US2008167296
Patent:US2008214569
Patent:US2394003
Patent:US7115665
Reaxys:3159790
Wikipedia:Pentamidine
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
Pentamidine
chebi_ontology
1,5-bis(4-amidinophenoxy)pentane
4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide
4,4'-(pentamethylenedioxy)dibenzamidine
4,4'-Diamidinodiphenoxypentane
p,p'-(pentamethylenedioxy)dibenzamidine
pentamidin
pentamidine
CHEBI:45081
pentamidine
Beilstein:3159790
ChemIDplus
CAS:100-33-4
ChemIDplus
CAS:100-33-4
KEGG COMPOUND
Drug_Central:2090
DrugCentral
PMID:10415905
Europe PMC
PMID:10917591
Europe PMC
PMID:11438428
Europe PMC
PMID:11584934
Europe PMC
PMID:14603035
Europe PMC
PMID:15711592
Europe PMC
PMID:18346045
Europe PMC
PMID:18971316
Europe PMC
PMID:19966562
Europe PMC
PMID:20144237
Europe PMC
PMID:20599360
Europe PMC
PMID:22046004
Europe PMC
PMID:22093811
Europe PMC
PMID:22200378
Europe PMC
PMID:22327112
Europe PMC
PMID:26052915
Europe PMC
PMID:26117647
Europe PMC
PMID:26295040
Europe PMC
PMID:26344166
Europe PMC
PMID:26418240
Europe PMC
PMID:26431253
Europe PMC
PMID:26515653
Europe PMC
PMID:26606757
Europe PMC
PMID:26648589
Europe PMC
PMID:26734860
Europe PMC
PMID:26824946
Europe PMC
PMID:26828608
Europe PMC
PMID:26882015
Europe PMC
PMID:26903605
Europe PMC
PMID:26938448
Europe PMC
PMID:27011917
Europe PMC
PMID:27135970
Europe PMC
PMID:27164533
Europe PMC
PMID:27214074
Europe PMC
PMID:27297108
Europe PMC
PMID:27353022
Europe PMC
PMID:27357655
Europe PMC
PMID:27600039
Europe PMC
PMID:27729250
Europe PMC
PMID:28074607
Europe PMC
PMID:28167598
Europe PMC
PMID:28263303
Europe PMC
PMID:7542607
Europe PMC
PMID:7690919
Europe PMC
PMID:8841838
Europe PMC
Reaxys:3159790
Reaxys
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
IUPAC
Pentamidine
KEGG_COMPOUND
1,5-bis(4-amidinophenoxy)pentane
ChEBI
4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide
ChemIDplus
4,4'-(pentamethylenedioxy)dibenzamidine
ChemIDplus
4,4'-Diamidinodiphenoxypentane
DrugBank
p,p'-(pentamethylenedioxy)dibenzamidine
ChemIDplus
pentamidin
DrugCentral
pentamidine
KEGG_DRUG
A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group.
0
C19H17Cl2N3O5S
InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
YFAGHNZHGGCZAX-JKIFEVAISA-N
470.32600
469.02660
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C(O)=O
Beilstein:1233662
CAS:3116-76-5
DrugBank:DB00485
Drug_Central:866
KEGG:C06950
KEGG:D02348
LINCS:LSM-5234
PMID:26962156
PMID:28721014
PMID:29017833
PMID:29105855
PMID:29253094
PMID:29504695
Patent:GB978299
Patent:US3239507
Reaxys:1233662
Wikipedia:Dicloxacillin
6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylic acid
Dicloxacillin
chebi_ontology
(2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
dicloxacilina
dicloxacilline
dicloxacillinum
CHEBI:4511
dicloxacillin
Beilstein:1233662
Beilstein
CAS:3116-76-5
KEGG COMPOUND
Drug_Central:866
DrugCentral
PMID:26962156
Europe PMC
PMID:28721014
Europe PMC
PMID:29017833
Europe PMC
PMID:29105855
Europe PMC
PMID:29253094
Europe PMC
PMID:29504695
Europe PMC
Reaxys:1233662
Reaxys
6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylic acid
IUPAC
Dicloxacillin
KEGG_COMPOUND
(2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
dicloxacilina
DrugBank
dicloxacilline
DrugBank
dicloxacillinum
DrugBank
A carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp.
0
C14H21NO4
InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
LNJNFVJKDJYTEU-UHFFFAOYSA-N
267.32080
267.14706
CCOc1ccc(NC(=O)OC(C)C)cc1OCC
CAS:87130-20-9
KEGG:C11077
PMID:21174194
PMID:21763813
PMID:22921656
PMID:23404952
PMID:23597988
PMID:23760810
PMID:24679760
PMID:24817605
PMID:24861738
PMID:24973804
PPDB:228
Pesticides:diethofencarb
Reaxys:8393454
propan-2-yl (3,4-diethoxyphenyl)carbamate
chebi_ontology
1-Methylethyl (3,4-diethoxyphenyl)carbamate
1-methylethyl N-(3,4-diethoxyphenyl)carbamate
Isopropyl 3,4-diethoxycarbanilate
isopropyl (3,4-diethoxyphenyl)carbamate
CHEBI:4520
diethofencarb
CAS:87130-20-9
ChemIDplus
CAS:87130-20-9
KEGG COMPOUND
CAS:87130-20-9
NIST Chemistry WebBook
PMID:21174194
Europe PMC
PMID:21763813
Europe PMC
PMID:22921656
Europe PMC
PMID:23404952
Europe PMC
PMID:23597988
Europe PMC
PMID:23760810
Europe PMC
PMID:24679760
Europe PMC
PMID:24817605
Europe PMC
PMID:24861738
Europe PMC
PMID:24973804
Europe PMC
Pesticides:diethofencarb
Alan Wood's Pesticides
Reaxys:8393454
Reaxys
propan-2-yl (3,4-diethoxyphenyl)carbamate
IUPAC
1-Methylethyl (3,4-diethoxyphenyl)carbamate
ChemIDplus
1-methylethyl N-(3,4-diethoxyphenyl)carbamate
Alan_Wood's_Pesticides
Isopropyl 3,4-diethoxycarbanilate
ChemIDplus
isopropyl (3,4-diethoxyphenyl)carbamate
IUPAC
A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.
0
C5H5N3O
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
IPEHBUMCGVEMRF-UHFFFAOYSA-N
123.11282
123.04326
NC(=O)c1cnccn1
CHEBI:45281
CHEBI:8656
Beilstein:112306
CAS:98-96-4
DrugBank:DB00339
Drug_Central:2328
Gmelin:279021
HMDB:HMDB0014483
KEGG:C01956
KEGG:D00144
LINCS:LSM-5425
PDBeChem:PZA
PMID:14977529
PMID:18517115
PMID:18604033
Reaxys:112306
Wikipedia:Pyrazinamide
pyrazine-2-carboxamide
chebi_ontology
2-carbamylpyrazine
2-pyrazinecarboxamide
PYRAZINE-2-CARBOXAMIDE
Pyrazinamide
Pyrazinoic acid amide
pyrazinamida
pyrazinamide
pyrazinamidum
pyrazine carboxamide
pyrazineamide
CHEBI:45285
pyrazinecarboxamide
Beilstein:112306
Beilstein
CAS:98-96-4
ChemIDplus
CAS:98-96-4
KEGG COMPOUND
CAS:98-96-4
NIST Chemistry WebBook
Drug_Central:2328
DrugCentral
Gmelin:279021
Gmelin
PMID:14977529
Europe PMC
PMID:18517115
Europe PMC
PMID:18604033
Europe PMC
Reaxys:112306
Reaxys
pyrazine-2-carboxamide
IUPAC
2-carbamylpyrazine
ChemIDplus
2-pyrazinecarboxamide
ChemIDplus
PYRAZINE-2-CARBOXAMIDE
PDBeChem
Pyrazinamide
KEGG_COMPOUND
Pyrazinoic acid amide
KEGG_COMPOUND
pyrazinamida
WHO_MedNet
pyrazinamide
UniProt
pyrazinamide
WHO_MedNet
pyrazinamidum
WHO_MedNet
pyrazine carboxamide
NIST_Chemistry_WebBook
pyrazineamide
NIST_Chemistry_WebBook
0
C46H62N4O11
InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
ATEBXHFBFRCZMA-VXTBVIBXSA-N
847.00484
846.44151
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC5)CC(C)C)N=C1c4c3C2=O
CHEBI:45364
CHEBI:8857
CAS:72559-06-9
DrugBank:DB00615
Drug_Central:2376
KEGG:C07235
KEGG:D00424
KNApSAcK:C00027872
Wikipedia:Rifabutin
Rifabutin
chebi_ontology
1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV
4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S
4-N-isobutylspiropiperidylrifamycin S
Mycobutin (TN)
CHEBI:45367
rifabutin
CAS:72559-06-9
ChemIDplus
CAS:72559-06-9
KEGG COMPOUND
Drug_Central:2376
DrugCentral
Rifabutin
KEGG_COMPOUND
Rifabutin
KEGG_DRUG
1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV
ChemIDplus
4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S
ChemIDplus
4-N-isobutylspiropiperidylrifamycin S
ChemIDplus
Mycobutin (TN)
KEGG_DRUG
A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position.
0
C6H8N2O2S
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
FDDDEECHVMSUSB-UHFFFAOYSA-N
172.20600
172.03065
Nc1ccc(cc1)S(N)(=O)=O
CHEBI:45370
CHEBI:9333
Beilstein:511852
CAS:63-74-1
DrugBank:DB00259
Drug_Central:2521
Gmelin:83068
HMDB:HMDB0014404
KEGG:C07458
KEGG:D08543
LINCS:LSM-6524
PDBeChem:SAN
PMID:22214209
PMID:22342371
PMID:22974493
PMID:23061287
PMID:23065453
PMID:23122138
PMID:23294218
PMID:23476893
PMID:23561569
PMID:2420897
PMID:9639594
Reaxys:511852
VSDB:1924
Wikipedia:Sulfanilamide
4-aminobenzenesulfonamide
SULFANILAMIDE
Sulfanilamide
chebi_ontology
4-aminobenzene sulfonic acid amide
4-azanylbenzenesulfonamide
Prontosil album
SA
Streptocide
Sulfamine
p-aminobenzenesulfamide
p-aminobenzenesulfonamide
para-aminobenzenesulfonamide
sulfamine
sulphanilamide
CHEBI:45373
sulfanilamide
Beilstein:511852
Beilstein
CAS:63-74-1
ChemIDplus
CAS:63-74-1
KEGG COMPOUND
CAS:63-74-1
NIST Chemistry WebBook
Drug_Central:2521
DrugCentral
Gmelin:83068
Gmelin
PMID:22214209
Europe PMC
PMID:22342371
Europe PMC
PMID:22974493
Europe PMC
PMID:23061287
Europe PMC
PMID:23065453
Europe PMC
PMID:23122138
Europe PMC
PMID:23294218
Europe PMC
PMID:23476893
Europe PMC
PMID:23561569
Europe PMC
PMID:2420897
Europe PMC
PMID:9639594
Europe PMC
Reaxys:511852
Reaxys
4-aminobenzenesulfonamide
IUPAC
SULFANILAMIDE
PDBeChem
Sulfanilamide
KEGG_COMPOUND
4-aminobenzene sulfonic acid amide
ChEBI
4-azanylbenzenesulfonamide
IUPAC
Prontosil album
KEGG_COMPOUND
SA
ChEBI
Streptocide
NIST_Chemistry_WebBook
Sulfamine
KEGG_COMPOUND
p-aminobenzenesulfamide
NIST_Chemistry_WebBook
p-aminobenzenesulfonamide
NIST_Chemistry_WebBook
para-aminobenzenesulfonamide
ChEBI
sulfamine
NIST_Chemistry_WebBook
sulphanilamide
ChEBI
0
C12H26O4S
InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
MOTZDAYCYVMXPC-UHFFFAOYSA-N
266.39844
266.15518
CCCCCCCCCCCCOS(O)(=O)=O
CHEBI:32953
CHEBI:45595
Beilstein:1710530
CAS:151-41-7
Gmelin:220505
PDBeChem:SDS
dodecyl hydrogen sulfate
chebi_ontology
DODECYL SULFATE
lauryl sulfuric acid
monododecyl hydrogen sulfate
sulfuric acid, monododecyl ester
CHEBI:45599
dodecyl hydrogen sulfate
Beilstein:1710530
ChemIDplus
CAS:151-41-7
ChemIDplus
Gmelin:220505
Gmelin
dodecyl hydrogen sulfate
IUPAC
DODECYL SULFATE
PDBeChem
lauryl sulfuric acid
ChemIDplus
monododecyl hydrogen sulfate
ChemIDplus
sulfuric acid, monododecyl ester
ChemIDplus
A hydroxamic acid that is N-hydroxybenzamide carrying a phenolic hydroxy group at position 2.
0
C7H7NO3
InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
HBROZNQEVUILML-UHFFFAOYSA-N
153.13540
153.04259
ONC(=O)c1ccccc1O
CHEBI:9007
CAS:89-73-6
DrugBank:DB03819
KEGG:C11343
MetaCyc:CPD-6543
PDBeChem:SHA
PMID:16667326
PMID:1847381
PMID:22554042
PMID:23416493
PMID:24603484
PMID:24888389
PMID:2543361
Patent:CN101519365
Reaxys:1210520
Wikipedia:Salicylhydroxamic_acid
N,2-dihydroxybenzamide
chebi_ontology
2-Hydroxybenzhydroxamic acid
2-Hydroxybenzohydroxamic acid
SHAM
Salicylohydroximic acid
o-Hydroxybenzohydroxamic acid
CHEBI:45615
salicylhydroxamic acid
CAS:89-73-6
ChemIDplus
CAS:89-73-6
KEGG COMPOUND
PMID:16667326
Europe PMC
PMID:1847381
Europe PMC
PMID:22554042
Europe PMC
PMID:23416493
Europe PMC
PMID:24603484
Europe PMC
PMID:24888389
Europe PMC
PMID:2543361
Europe PMC
Reaxys:1210520
Reaxys
N,2-dihydroxybenzamide
IUPAC
2-Hydroxybenzhydroxamic acid
ChemIDplus
2-Hydroxybenzohydroxamic acid
ChemIDplus
SHAM
ChEBI
Salicylohydroximic acid
ChemIDplus
o-Hydroxybenzohydroxamic acid
ChemIDplus
-1
HO4S
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
QAOWNCQODCNURD-UHFFFAOYSA-M
97.07154
96.96010
[H]OS([O-])(=O)=O
CHEBI:29199
CHEBI:45693
Gmelin:2121
hydrogen(tetraoxidosulfate)(1-)
hydrogensulfate
hydrogensulfate(1-)
hydrogentetraoxosulfate(1-)
hydrogentetraoxosulfate(VI)
hydroxidotrioxidosulfate(1-)
chebi_ontology
HSO4(-)
HYDROGEN SULFATE
[SO3(OH)](-)
CHEBI:45696
hydrogensulfate
Gmelin:2121
Gmelin
hydrogen(tetraoxidosulfate)(1-)
IUPAC
hydrogensulfate
IUPAC
hydrogensulfate(1-)
IUPAC
hydrogentetraoxosulfate(1-)
IUPAC
hydrogentetraoxosulfate(VI)
IUPAC
hydroxidotrioxidosulfate(1-)
IUPAC
HSO4(-)
IUPAC
HYDROGEN SULFATE
PDBeChem
[SO3(OH)](-)
IUPAC
An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.
0
C14H18N4O3
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
IEDVJHCEMCRBQM-UHFFFAOYSA-N
290.318
290.13789
C=1(CC=2C(=NC(N)=NC2)N)C=C(C(OC)=C(C1)OC)OC
CHEBI:45921
CHEBI:9731
Beilstein:625127
CAS:738-70-5
DrugBank:DB00440
Drug_Central:2755
Gmelin:808843
HMDB:HMDB0014583
KEGG:C01965
KEGG:D00145
LINCS:LSM-5246
PDBeChem:TOP
PMID:10423629
PMID:10969053
PMID:11051625
PMID:14629008
PMID:15203044
PMID:16311012
PMID:18816075
PMID:25111783
PMID:25361939
PMID:26546758
PMID:26566149
PMID:26942256
PMID:26987772
PMID:28166217
PMID:7602118
PMID:8911701
Reaxys:625127
VSDB:1745
Wikipedia:Trimethoprim
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
TRIMETHOPRIM
Trimethoprim
chebi_ontology
2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine
5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine
Proloprim
Trimpex
CHEBI:45924
trimethoprim
Beilstein:625127
Beilstein
CAS:738-70-5
ChemIDplus
CAS:738-70-5
KEGG COMPOUND
CAS:738-70-5
NIST Chemistry WebBook
Drug_Central:2755
DrugCentral
Gmelin:808843
Gmelin
PMID:10423629
Europe PMC
PMID:10969053
Europe PMC
PMID:11051625
Europe PMC
PMID:14629008
Europe PMC
PMID:15203044
Europe PMC
PMID:16311012
Europe PMC
PMID:18816075
Europe PMC
PMID:25111783
Europe PMC
PMID:25361939
Europe PMC
PMID:26546758
Europe PMC
PMID:26566149
Europe PMC
PMID:26942256
Europe PMC
PMID:26987772
Europe PMC
PMID:28166217
Europe PMC
PMID:7602118
Europe PMC
PMID:8911701
Europe PMC
Reaxys:625127
Reaxys
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
IUPAC
TRIMETHOPRIM
PDBeChem
Trimethoprim
KEGG_COMPOUND
2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine
NIST_Chemistry_WebBook
5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine
NIST_Chemistry_WebBook
Proloprim
ChemIDplus
Trimpex
ChemIDplus
A member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium.
0
C10H7N3S
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
WJCNZQLZVWNLKY-UHFFFAOYSA-N
201.24800
201.03607
c1nc(cs1)-c1nc2ccccc2[nH]1
CHEBI:45977
CHEBI:9526
Beilstein:611403
CAS:148-79-8
DrugBank:DB00730
Drug_Central:2621
HMDB:HMDB0014868
KEGG:D00372
LINCS:LSM-3741
MetaCyc:THIABENDAZOLE
PDBeChem:TMG
PMID:11226373
PMID:13900465
PMID:23790859
PMID:9009055
PPDB:629
Patent:US3017415
Pesticides:thiabendazole
Reaxys:611403
VSDB:629
Wikipedia:Thiabendazole
2-(1,3-thiazol-4-yl)-1H-benzimidazole
Thiabendazole
chebi_ontology
2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE
2-(1,3-thiazol-4-yl)benzimidazole
2-(4-thiazolyl)-1H-benzimidazole
2-(thiazol-4-yl)benzimidazole
4-(2-benzimidazolyl)thiazole
Equizole
MK 360
Mintezol
TBZ
Thibenzole
Tiabendazole
CHEBI:45979
thiabendazole
Beilstein:611403
Beilstein
CAS:148-79-8
ChemIDplus
CAS:148-79-8
NIST Chemistry WebBook
Drug_Central:2621
DrugCentral
PMID:11226373
Europe PMC
PMID:13900465
Europe PMC
PMID:23790859
Europe PMC
PMID:9009055
Europe PMC
Pesticides:thiabendazole
Alan Wood's Pesticides
Reaxys:611403
Reaxys
2-(1,3-thiazol-4-yl)-1H-benzimidazole
IUPAC
Thiabendazole
KEGG_COMPOUND
2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE
PDBeChem
2-(1,3-thiazol-4-yl)benzimidazole
Alan_Wood's_Pesticides
2-(4-thiazolyl)-1H-benzimidazole
Alan_Wood's_Pesticides
2-(thiazol-4-yl)benzimidazole
Alan_Wood's_Pesticides
4-(2-benzimidazolyl)thiazole
ChemIDplus
Equizole
ChemIDplus
MK 360
ChemIDplus
Mintezol
KEGG_DRUG
TBZ
ChemIDplus
Thibenzole
ChemIDplus
Tiabendazole
KEGG_COMPOUND
0
C17H22N2O3
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
RTKIYFITIVXBLE-QEQCGCAPSA-N
302.36826
302.16304
C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO
CHEBI:39145
CHEBI:46022
Beilstein:5291761
CAS:58880-19-6
DrugBank:DB04297
HMDB:HMDB0259177
KNApSAcK:C00016002
PDBeChem:TSN
PMID:10490031
PMID:15346199
PMID:16010430
PMID:18285338
PMID:19038231
PMID:21504214
PMID:25075551
PMID:27454931
PMID:30395713
PMID:31755702
PMID:32880591
PMID:33983895
PMID:34086940
Wikipedia:Trichostatin_A
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
TRICHOSTATIN A
chebi_ontology
(2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide
TSA
CHEBI:46024
trichostatin A
Beilstein:5291761
Beilstein
CAS:58880-19-6
ChemIDplus
PMID:10490031
Europe PMC
PMID:15346199
Europe PMC
PMID:16010430
Europe PMC
PMID:18285338
Europe PMC
PMID:19038231
Europe PMC
PMID:21504214
Europe PMC
PMID:25075551
Europe PMC
PMID:27454931
Europe PMC
PMID:30395713
Europe PMC
PMID:31755702
Europe PMC
PMID:32880591
Europe PMC
PMID:33983895
Europe PMC
PMID:34086940
Europe PMC
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
IUPAC
TRICHOSTATIN A
PDBeChem
(2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide
ChemIDplus
TSA
ChemIDplus
0
C2H3N3
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
NSPMIYGKQJPBQR-UHFFFAOYSA-N
69.06544
69.03270
c1nnc[nH]1
CHEBI:35548
CHEBI:46076
Beilstein:605619
CAS:63598-71-0
Gmelin:323206
PDBeChem:TRI
4H-1,2,4-triazole
chebi_ontology
1,2,4-TRIAZOLE
CHEBI:46077
4H-1,2,4-triazole
Beilstein:605619
Beilstein
CAS:63598-71-0
ChemIDplus
CAS:63598-71-0
NIST Chemistry WebBook
Gmelin:323206
Gmelin
4H-1,2,4-triazole
IUPAC
1,2,4-TRIAZOLE
PDBeChem
A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.
0
C13H12F2N6O
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
RFHAOTPXVQNOHP-UHFFFAOYSA-N
306.27080
306.10407
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
CHEBI:46079
CHEBI:5099
Beilstein:4269710
CAS:86386-73-4
DrugBank:DB00196
Drug_Central:1187
HMDB:HMDB0014342
KEGG:D00322
LINCS:LSM-2106
PDBeChem:TPF
PMID:11366931
PMID:16822276
PMID:23171950
PMID:23793863
Patent:GB2099818
Patent:US4404216
Reaxys:7311650
Wikipedia:Fluconazole
2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol
fluconazole
chebi_ontology
2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol
2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Biozole
Diflucan
Elazor
Triflucan
fluconazol
fluconazole
fluconazolum
CHEBI:46081
fluconazole
Beilstein:4269710
Beilstein
CAS:86386-73-4
ChemIDplus
Drug_Central:1187
DrugCentral
PMID:11366931
Europe PMC
PMID:16822276
Europe PMC
PMID:23171950
Europe PMC
PMID:23793863
Europe PMC
Reaxys:7311650
Reaxys
2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol
IUPAC
fluconazole
UniProt
2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol
ChemIDplus
2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
PDBeChem
Biozole
ChEBI
Diflucan
ChEBI
Elazor
ChemIDplus
Triflucan
ChEBI
fluconazol
ChemIDplus
fluconazole
ChemIDplus
fluconazole
WHO_MedNet
fluconazolum
ChemIDplus
A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others.
0
C43H49N7O10
InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1
FEPMHVLSLDOMQC-IYPFLVAKSA-N
823.89010
823.35409
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O)c1ccccc1
CHEBI:9998
CAS:23152-29-6
DrugBank:DB04805
KEGG:C11269
PDBeChem:VRS
PMID:1493906
PMID:22934408
PMID:3097264
PMID:4142724
Reaxys:3647647
Wikipedia:Virginiamycin_S1
N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide
Virginiamycin S1
virginiamycin S1
chebi_ontology
N-((3-hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone
N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone
virginiamycin factor S
CHEBI:46416
virginiamycin S1
CAS:23152-29-6
ChemIDplus
CAS:23152-29-6
KEGG COMPOUND
PMID:1493906
Europe PMC
PMID:22934408
Europe PMC
PMID:3097264
Europe PMC
PMID:4142724
Europe PMC
Reaxys:3647647
Reaxys
N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide
IUPAC
Virginiamycin S1
KEGG_COMPOUND
virginiamycin S1
ChemIDplus
N-((3-hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone
ChemIDplus
N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone
ChemIDplus
virginiamycin factor S
ChemIDplus
The (R)-enantiomer of ofloxacin.
0
C18H20FN3O4
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1
GSDSWSVVBLHKDQ-SNVBAGLBSA-N
361.373
361.14378
C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O
CAS:100986-86-5
DrugBank:DB03034
PDBeChem:XED
PMID:15769740
PMID:17870541
PMID:17937485
PMID:1992111
PMID:2079448
PMID:25069865
PMID:26179954
PMID:2824776
PMID:29513966
PMID:32208173
PMID:7478164
(3R)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
chebi_ontology
(+)-ofloxacin
(R)-(+)-ofloxacin
(R)-ofloxacin
D-levofloxacin
D-ofloxacin
DR 3354
DR-3354
DR3354
R-(+)-ofloxacin
R-ofloxacin
dextrofloxacine
CHEBI:46577
dextrofloxacin
CAS:100986-86-5
ChemIDplus
PMID:15769740
Europe PMC
PMID:17870541
Europe PMC
PMID:17937485
Europe PMC
PMID:1992111
Europe PMC
PMID:2079448
Europe PMC
PMID:25069865
Europe PMC
PMID:26179954
Europe PMC
PMID:2824776
Europe PMC
PMID:29513966
Europe PMC
PMID:32208173
Europe PMC
PMID:7478164
Europe PMC
(3R)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
IUPAC
(+)-ofloxacin
ChEBI
(R)-(+)-ofloxacin
ChEBI
(R)-ofloxacin
ChEBI
D-levofloxacin
DrugBank
D-ofloxacin
ChemIDplus
DR 3354
ChEBI
DR-3354
ChEBI
DR3354
ChEBI
R-(+)-ofloxacin
ChEBI
R-ofloxacin
ChemIDplus
dextrofloxacine
PDBeChem
0
O
15.99940
15.99491
O=*
CHEBI:29353
CHEBI:44607
PDBeChem:O
OXO GROUP
oxo
chebi_ontology
=O
CHEBI:46629
oxo group
OXO GROUP
PDBeChem
oxo
IUPAC
=O
IUPAC
The class of beta-lactam antibiotics that whose members have a carbapenem skeleton which is variously substituted at positions 3, 4, and 6.
0
C7H4NO3R3
150.112
150.01912
[H][C@@]12C([*])C(=O)N1C(C(O)=O)=C([*])C2[*]
PMID:18076336
PMID:19199922
PMID:19610642
PMID:19617229
PMID:19929840
PMID:21859938
Wikipedia:Carbapenem
chebi_ontology
CHEBI:46633
carbapenems
PMID:18076336
Europe PMC
PMID:19199922
Europe PMC
PMID:19610642
Europe PMC
PMID:19617229
Europe PMC
PMID:19929840
Europe PMC
PMID:21859938
Europe PMC
chebi_ontology
carbapenemcarboxylic acids
CHEBI:46634
carbapenemcarboxylic acid
carbapenemcarboxylic acids
ChEBI
In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals').
Wikipedia:Mineral
mineral
chebi_ontology
Minerale
minerales
minerals
mineraux
CHEBI:46662
mineral
mineral
ChEBI
Minerale
ChEBI
minerales
ChEBI
minerals
ChEBI
mineraux
ChEBI
chebi_ontology
azaalkanes
CHEBI:46686
azaalkane
azaalkanes
ChEBI
chebi_ontology
diazaalkanes
CHEBI:46687
diazaalkane
diazaalkanes
ChEBI
chebi_ontology
oxabicycloalkanes
CHEBI:46733
oxabicycloalkane
oxabicycloalkanes
ChEBI
Any molecule that contains two amino-acid residues connected by peptide linkages.
CHEBI:23835
CHEBI:4634
KEGG:C00107
Dipeptide
chebi_ontology
Dipeptid
dipeptides
CHEBI:46761
dipeptide
Dipeptide
KEGG_COMPOUND
Dipeptid
ChEBI
dipeptides
ChEBI
chebi_ontology
pyrrolidinecarboxamides
CHEBI:46770
pyrrolidinecarboxamide
pyrrolidinecarboxamides
ChEBI
Any ether that contains more than one ether linkage.
polyether
chebi_ontology
polyethers
CHEBI:46774
polyether
polyether
ChEBI
polyethers
ChEBI
A polyether in which the number of ether linkages is 2.
diether
chebi_ontology
diethers
CHEBI:46786
diether
diether
ChEBI
diethers
ChEBI
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
Wikipedia:Solvent
chebi_ontology
Loesungsmittel
solvant
solvents
CHEBI:46787
solvent
Loesungsmittel
ChEBI
solvant
ChEBI
solvents
ChEBI
chebi_ontology
CHEBI:46812
1,3-oxazoles
chebi_ontology
N-acylpiperazines
CHEBI:46844
N-acylpiperazine
N-acylpiperazines
ChEBI
chebi_ontology
N-alkylpiperazines
CHEBI:46845
N-alkylpiperazine
N-alkylpiperazines
ChEBI
chebi_ontology
N-iminopiperazines
CHEBI:46847
N-iminopiperazine
N-iminopiperazines
ChEBI
chebi_ontology
N-arylpiperazines
CHEBI:46848
N-arylpiperazine
N-arylpiperazines
ChEBI
chebi_ontology
organoammonium salts
CHEBI:46850
organoammonium salt
organoammonium salts
ChEBI
0
CHO2
45.01744
44.99765
*C(=O)O
CHEBI:23025
CHEBI:41420
PDBeChem:FMT
CARBOXY GROUP
carboxy
chebi_ontology
-C(O)OH
-CO2H
-COOH
carboxyl group
CHEBI:46883
carboxy group
CARBOXY GROUP
PDBeChem
carboxy
IUPAC
-C(O)OH
IUPAC
-CO2H
ChEBI
-COOH
IUPAC
carboxyl group
ChEBI
A compound consisting of a peptide with attached lipid.
PMID:19889045
PMID:20545290
PMID:23131643
PMID:23318669
Wikipedia:Lipopeptide
chebi_ontology
LP
lipopeptides
CHEBI:46895
lipopeptide
PMID:19889045
Europe PMC
PMID:20545290
Europe PMC
PMID:23131643
Europe PMC
PMID:23318669
Europe PMC
LP
ChEBI
lipopeptides
ChEBI
+1
C5H13N2O2
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1
AHLPHDHHMVZTML-UHFFFAOYSA-O
133.16900
133.09715
[NH3+]CCCC([NH3+])C([O-])=O
2,5-diammoniopentanoate
ornithinium
ornithinium(1+)
chebi_ontology
ornithine monocation
CHEBI:46912
ornithinium(1+)
2,5-diammoniopentanoate
IUPAC
ornithinium
IUPAC
ornithinium(1+)
JCBN
ornithine monocation
JCBN
+2
C5H14N2O2
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2
AHLPHDHHMVZTML-UHFFFAOYSA-P
134.17694
134.10443
[NH3+]CCCC([NH3+])C(O)=O
1-carboxybutane-1,4-diaminium
ornithinediium
ornithinium(2+)
chebi_ontology
ornithine dication
CHEBI:46913
ornithinium(2+)
1-carboxybutane-1,4-diaminium
IUPAC
ornithinediium
IUPAC
ornithinium(2+)
JCBN
ornithine dication
JCBN
chebi_ontology
N-methylpiperazines
CHEBI:46920
N-methylpiperazine
N-methylpiperazines
ChEBI
Any organic heteromonocyclic compoundthat is oxane or its substituted derivatives.
chebi_ontology
tetrahydropyrans
CHEBI:46942
oxanes
tetrahydropyrans
ChEBI
chebi_ontology
oxazinanes
CHEBI:46952
oxazinane
oxazinanes
ChEBI
chebi_ontology
tetrahydrofuranols
CHEBI:47017
tetrahydrofuranol
tetrahydrofuranols
ChEBI
chebi_ontology
dihydroxytetrahydrofurans
CHEBI:47019
dihydroxytetrahydrofuran
dihydroxytetrahydrofurans
ChEBI
A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup.
0
C12H17N3O4S
InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
ZSKVGTPCRGIANV-ZXFLCMHBSA-N
299.34720
299.09398
[H]C(=N)NCCSC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1)C(O)=O
CHEBI:5879
Beilstein:434624
CAS:64221-86-9
DrugBank:DB01598
Drug_Central:1426
KEGG:C06665
KEGG:D04515
LINCS:LSM-6568
PMID:1384868
PMID:17361077
PMID:24112243
PMID:24247132
PMID:2457043
PMID:24903189
PMID:25216543
PMID:25351714
PMID:9131470
Patent:BE848545
Patent:US4194047
Reaxys:434624
Wikipedia:Imipenem
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Imipenem
chebi_ontology
(5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
(5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure
Imipenem anhydrous
N-formimidoyl thienamycin
N-formimidoylthienamycin
imipenemum
CHEBI:471744
imipenem
Beilstein:434624
Beilstein
CAS:64221-86-9
ChemIDplus
CAS:64221-86-9
KEGG COMPOUND
Drug_Central:1426
DrugCentral
PMID:1384868
Europe PMC
PMID:17361077
Europe PMC
PMID:24112243
Europe PMC
PMID:24247132
Europe PMC
PMID:2457043
Europe PMC
PMID:24903189
Europe PMC
PMID:25216543
Europe PMC
PMID:25351714
Europe PMC
PMID:9131470
Europe PMC
Reaxys:434624
Reaxys
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC
Imipenem
KEGG_COMPOUND
(5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
ChemIDplus
(5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
ChEMBL
(5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure
ChemIDplus
Imipenem anhydrous
KEGG_COMPOUND
N-formimidoyl thienamycin
Patent
N-formimidoylthienamycin
ChemIDplus
imipenemum
ChemIDplus
A third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections.
0
C16H15N5O7S2
InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
OKBVVJOGVLARMR-QSWIMTSFSA-N
453.45000
453.04129
[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\c1csc(N)n1)C(O)=O
CHEBI:3487
Beilstein:6025058
CAS:79350-37-1
DrugBank:DB00671
Drug_Central:537
KEGG:C06881
KEGG:D00258
PMID:17116681
PMID:29017833
Patent:EP30630
Patent:US4409214
7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(-)-cefixim
(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
cefixima
cefixime
cefiximum
CHEBI:472657
cefixime
Beilstein:6025058
Beilstein
CAS:79350-37-1
ChemIDplus
CAS:79350-37-1
KEGG COMPOUND
Drug_Central:537
DrugCentral
PMID:17116681
ChEMBL
PMID:29017833
Europe PMC
7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(-)-cefixim
ChemIDplus
(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
cefixima
ChemIDplus
cefixime
ChemIDplus
cefiximum
ChemIDplus
A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.
0
C47H75NO17
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
VQOXZBDYSJBXMA-NQTDYLQESA-N
926.107
925.50350
[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
CHEBI:31926
Beilstein:12153125
CAS:34786-70-4
HMDB:HMDB0242564
KEGG:C12155
LIPID_MAPS_instance:LMPK06000004
PMID:1086913
PMID:12230565
PMID:15034898
PMID:19362643
PMID:2010357
PMID:24231162
PMID:24924305
PMID:25082221
PMID:26233316
PMID:27379602
PMID:28488115
PMID:28555391
PMID:30206268
PMID:31924510
PMID:32038598
PMID:33932153
PMID:34275291
PMID:34938275
PMID:6331301
PMID:9188800
VSDB:2985
(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
nystatin A1
chebi_ontology
CHEBI:473992
nystatin A1
Beilstein:12153125
Beilstein
CAS:34786-70-4
ChemIDplus
LIPID_MAPS_instance:LMPK06000004
LIPID MAPS
PMID:1086913
Europe PMC
PMID:12230565
Europe PMC
PMID:15034898
Europe PMC
PMID:19362643
Europe PMC
PMID:2010357
Europe PMC
PMID:24231162
Europe PMC
PMID:24924305
Europe PMC
PMID:25082221
Europe PMC
PMID:26233316
Europe PMC
PMID:27379602
Europe PMC
PMID:28488115
Europe PMC
PMID:28555391
Europe PMC
PMID:30206268
Europe PMC
PMID:31924510
Europe PMC
PMID:32038598
Europe PMC
PMID:33932153
Europe PMC
PMID:34275291
Europe PMC
PMID:34938275
Europe PMC
PMID:6331301
Europe PMC
PMID:9188800
Europe PMC
(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
IUPAC
nystatin A1
LIPID_MAPS
A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.
0
C14H14N8O4S3
InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
MLYYVTUWGNIJIB-BXKDBHETSA-N
454.511
454.03001
[C@]12(N(C(=C(CS1)CSC3=NN=C(S3)C)C(=O)O)C([C@H]2NC(=O)CN4C=NN=N4)=O)[H]
CHEBI:3482
Beilstein:4169371
CAS:25953-19-9
DrugBank:DB01327
Drug_Central:530
HMDB:HMDB0015422
KEGG:C06880
KEGG:D02299
LINCS:LSM-34744
PMID:12569987
PMID:2083978
PMID:22011388
PMID:23702270
PMID:24462449
PMID:28543395
PMID:29017833
PMID:6176550
Patent:US3516997
Reaxys:4169371
VSDB:1910
Wikipedia:Cefazolin
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid
chebi_ontology
(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CEZ
Cefamezin
Cephamezine
Cephazolidin
Cephazolin
Cephazoline
cefazolin
cefazolina
cefazoline
cefazolinum
CHEBI:474053
cefazolin
Beilstein:4169371
Beilstein
CAS:25953-19-9
ChemIDplus
CAS:25953-19-9
DrugBank
CAS:25953-19-9
KEGG COMPOUND
CAS:25953-19-9
KEGG DRUG
Drug_Central:530
DrugCentral
PMID:12569987
Europe PMC
PMID:2083978
Europe PMC
PMID:22011388
Europe PMC
PMID:23702270
Europe PMC
PMID:24462449
Europe PMC
PMID:28543395
Europe PMC
PMID:29017833
Europe PMC
PMID:6176550
Europe PMC
Reaxys:4169371
Reaxys
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid
IUPAC
(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
CEZ
ChEBI
Cefamezin
ChemIDplus
Cephamezine
ChemIDplus
Cephazolidin
ChemIDplus
Cephazolin
ChemIDplus
Cephazoline
ChemIDplus
cefazolin
ChemIDplus
cefazolina
ChemIDplus
cefazoline
ChemIDplus
cefazolinum
ChemIDplus
A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.
0
C52H88N10O15
InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1
JYIKNQVWKBUSNH-WVDDFWQHSA-N
1093.315
1092.64306
[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](NCCN)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CCN)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H]
CHEBI:599509
Beilstein:8471798
CAS:162808-62-0
DrugBank:DB00520
Drug_Central:2977
KEGG:D07626
PMID:24270605
Patent:US5378804
Patent:WO9421677
(10R,12S)-N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
Caspofungin
chebi_ontology
(4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide
1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0
caspofungin
CHEBI:474180
caspofungin
Beilstein:8471798
Beilstein
CAS:162808-62-0
ChemIDplus
CAS:162808-62-0
KEGG DRUG
Drug_Central:2977
DrugCentral
PMID:24270605
Europe PMC
(10R,12S)-N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
IUPAC
Caspofungin
ChEMBL
(4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide
ChemIDplus
1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0
ChEBI
caspofungin
ChemIDplus
A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration.
0
C26H28Cl2N4O4
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
XMAYWYJOQHXEEK-ZEQKJWHPSA-N
531.43048
530.14876
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Beilstein:5488107
PDBeChem:KLN
(2S,4R)-ketoconazole
1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
chebi_ontology
(2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
CHEBI:47518
(2S,4R)-ketoconazole
Beilstein:5488107
Beilstein
(2S,4R)-ketoconazole
UniProt
1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
IUPAC
(2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
ChEBI
1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
PDBeChem
A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-ketoconazole.
0
C26H28Cl2N4O4
531.43048
530.14876
CHEBI:6126
Beilstein:4303081
CAS:65277-42-1
DrugBank:DB01026
Gmelin:1713206
HMDB:HMDB0012242
KEGG:D00351
Patent:DE2804096
Patent:US4144346
rac-1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
chebi_ontology
(+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
Fungarest
Fungoral
Ketoderm
Ketoisdin
Nizoral
Panfungol
Xolegel
cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
ketoconazol
ketoconazole
ketoconazolum
CHEBI:47519
ketoconazole
Beilstein:4303081
ChemIDplus
CAS:65277-42-1
ChemIDplus
CAS:65277-42-1
KEGG DRUG
Gmelin:1713206
Gmelin
rac-1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
IUPAC
(+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
ChemIDplus
Fungarest
DrugBank
Fungoral
DrugBank
Ketoderm
DrugBank
Ketoisdin
DrugBank
Nizoral
KEGG_DRUG
Panfungol
DrugBank
Xolegel
KEGG_DRUG
cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
ChemIDplus
ketoconazol
WHO_MedNet
ketoconazole
ChemIDplus
ketoconazole
WHO_MedNet
ketoconazolum
ChemIDplus
A peptide antibiotic that is vancomycin lacking the disaccharide moiety.
0
C53H52Cl2N8O17
InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39-,40-,41+,42-,43+,44-,45-/m1/s1
JHIKFOISFAQTJQ-YZANBJIASA-N
1143.92900
1142.28275
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O)c(Cl)c2
CAS:82198-76-3
MetaCyc:CPD-15745
PMID:11470430
PMID:14649827
PMID:15785812
PMID:22177724
Reaxys:6049255
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
chebi_ontology
Aglucovancomycin B
Balhimycin aglycon
CHEBI:47724
vancomycin aglycone
CAS:82198-76-3
ChemIDplus
PMID:11470430
Europe PMC
PMID:14649827
Europe PMC
PMID:15785812
Europe PMC
PMID:22177724
Europe PMC
Reaxys:6049255
Reaxys
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
IUPAC
Aglucovancomycin B
ChemIDplus
Balhimycin aglycon
ChemIDplus
chebi_ontology
aminoglycosides
CHEBI:47779
aminoglycoside
aminoglycosides
ChEBI
chebi_ontology
penamcarboxylates
CHEBI:47811
penamcarboxylate
penamcarboxylates
ChEBI
A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
0
C19H24N6O5S2
InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1
HVFLCNVBZFFHBT-ZKDACBOMSA-N
480.56100
480.12496
[H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O
CHEBI:3486
CHEBI:473919
Beilstein:7453587
CAS:88040-23-7
DrugBank:DB01413
Drug_Central:535
KEGG:C08111
KEGG:D02376
PMID:11084674
PMID:11179650
PMID:11191931
PMID:11260566
PMID:11280610
PMID:11303846
PMID:11306793
PMID:11328792
PMID:11431192
PMID:11442796
PMID:11864944
PMID:11910959
PMID:11964152
PMID:12848746
PMID:14628573
PMID:14642333
PMID:15303411
PMID:15494381
PMID:15830071
PMID:15978309
PMID:15980347
PMID:16207962
PMID:16650951
PMID:16705389
PMID:16930923
PMID:17042189
PMID:17214092
PMID:17323865
PMID:17448937
PMID:17625777
PMID:18025111
PMID:18154532
PMID:18651542
PMID:18673128
PMID:18717040
PMID:19053894
PMID:19304881
PMID:21425867
PMID:28543395
PMID:29017833
Patent:DE3307550
Patent:US4406899
Reaxys:7453587
Wikipedia:Cefepime
7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylate
Cefepime
cefepime
chebi_ontology
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CFPM
cefepima
cefepime
cefepimum
CHEBI:478164
cefepime
Beilstein:7453587
Beilstein
CAS:88040-23-7
KEGG COMPOUND
Drug_Central:535
DrugCentral
PMID:11084674
Europe PMC
PMID:11179650
Europe PMC
PMID:11191931
Europe PMC
PMID:11260566
Europe PMC
PMID:11280610
Europe PMC
PMID:11303846
Europe PMC
PMID:11306793
Europe PMC
PMID:11328792
Europe PMC
PMID:11431192
Europe PMC
PMID:11442796
Europe PMC
PMID:11864944
Europe PMC
PMID:11910959
Europe PMC
PMID:11964152
Europe PMC
PMID:12848746
Europe PMC
PMID:14628573
Europe PMC
PMID:14642333
Europe PMC
PMID:15303411
Europe PMC
PMID:15494381
Europe PMC
PMID:15830071
Europe PMC
PMID:15978309
Europe PMC
PMID:15980347
Europe PMC
PMID:16207962
Europe PMC
PMID:16650951
Europe PMC
PMID:16705389
Europe PMC
PMID:16930923
Europe PMC
PMID:17042189
Europe PMC
PMID:17214092
Europe PMC
PMID:17323865
Europe PMC
PMID:17448937
Europe PMC
PMID:17625777
Europe PMC
PMID:18025111
Europe PMC
PMID:18154532
Europe PMC
PMID:18651542
Europe PMC
PMID:18673128
Europe PMC
PMID:18717040
Europe PMC
PMID:19053894
Europe PMC
PMID:19304881
Europe PMC
PMID:21425867
Europe PMC
PMID:28543395
Europe PMC
PMID:29017833
Europe PMC
Reaxys:7453587
Reaxys
7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylate
IUPAC
Cefepime
KEGG_COMPOUND
cefepime
ChEMBL
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC
CFPM
ChEBI
cefepima
ChemIDplus
cefepime
ChemIDplus
cefepimum
ChemIDplus
CHEBI:27220
CHEBI:36947
chebi_ontology
urea derivatives
CHEBI:47857
ureas
urea derivatives
ChEBI
Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.
chebi_ontology
Indikator
CHEBI:47867
indicator
Indikator
ChEBI
CHEBI:26762
KEGG:C15506
chebi_ontology
steroid esters
CHEBI:47880
steroid ester
steroid esters
ChEBI
0
C3H2O3R2
86.046
86.00039
CHEBI:13600
CHEBI:1619
CHEBI:35949
KEGG:C01656
chebi_ontology
3-Keto acid
3-Oxo acid
3-oxo monocarboxylic acids
3-oxomonocarboxylic acid
3-oxomonocarboxylic acids
CHEBI:47881
3-oxo monocarboxylic acid
3-Keto acid
KEGG_COMPOUND
3-Oxo acid
KEGG_COMPOUND
3-oxo monocarboxylic acids
ChEBI
3-oxomonocarboxylic acid
ChEBI
3-oxomonocarboxylic acids
ChEBI
Any steroid substituted by at least one carboxy group.
chebi_ontology
steroid acids
CHEBI:47891
steroid acid
steroid acids
ChEBI
Any primary amide having its amide oxygen replaced by sulfur.
chebi_ontology
thioamide
thiocarboxamides
thionoamide
CHEBI:47956
thiocarboxamide
thioamide
ChEBI
thiocarboxamides
ChEBI
thionoamide
ChEBI
Ethers ROR' where R has a double bond adjacent to the oxygen of the ether linkage.
0
C2OR4
40.02080
39.99491
[*]\C([*])=C(\[*])O[*]
enol ether
chebi_ontology
enol ethers
CHEBI:47985
enol ether
enol ether
ChEBI
enol ethers
ChEBI
A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
chebi_ontology
protein synthesis antagonist
protein synthesis antagonists
protein synthesis inhibitors
CHEBI:48001
protein synthesis inhibitor
protein synthesis antagonist
ChEBI
protein synthesis antagonists
ChEBI
protein synthesis inhibitors
ChEBI
A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity.
0
C16H24O4
InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1
KQNZDYYTLMIZCT-KQPMLPITSA-N
280.35936
280.16746
[H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2
Beilstein:25191
Beilstein:5282047
CAS:20350-15-6
(1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
Brefeldin A
chebi_ontology
ascotoxin
cyanein
decumbin
CHEBI:48080
brefeldin A
Beilstein:25191
Beilstein
Beilstein:5282047
Beilstein
CAS:20350-15-6
ChemIDplus
(1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
IUPAC
Brefeldin A
ChemIDplus
ascotoxin
ChemIDplus
cyanein
ChemIDplus
decumbin
ChemIDplus
A racemate composed of equimolar amounts of (2S,3R)- and (2R,3S)-epoxiconazole. A broad-spectrum fungicide for control of diseases caused by Ascomycetes, Basidiomycetes and Deuteromycetes. Epoxiconazole is moderately toxic to birds, honeybees, earthworms and most aquatic organisms.
0
C17H13ClFN3O
329.75600
329.07312
CAS:133855-98-8
KEGG:C11229
PMID:24274332
PMID:24364671
PMID:24550150
Pesticides:epoxiconazole
Reaxys:8150613
Wikipedia:Epoxiconazole
rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
chebi_ontology
(2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole
rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole
CHEBI:4811
epoxiconazole
CAS:133855-98-8
ChemIDplus
CAS:133855-98-8
KEGG COMPOUND
PMID:24274332
Europe PMC
PMID:24364671
Europe PMC
PMID:24550150
Europe PMC
Pesticides:epoxiconazole
Alan Wood's Pesticides
Reaxys:8150613
Reaxys
rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
IUPAC
(2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole
Alan_Wood's_Pesticides
rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole
Alan_Wood's_Pesticides
An olefin that contains more than one carbon-carbon double bond.
chebi_ontology
polyenes
CHEBI:48121
polyene
polyenes
ChEBI
A polyketide based on a tetracene ring structure.
chebi_ontology
tetracenomycins
CHEBI:48132
tetracenomycin
tetracenomycins
ChEBI
chebi_ontology
Schwefeloxide
oxides of sulfur
sulfur oxides
CHEBI:48154
sulfur oxide
Schwefeloxide
ChEBI
oxides of sulfur
ChEBI
sulfur oxides
ChEBI
An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
chebi_ontology
Desinfektionsmittel
desinfectant
disinfectants
disinfecting agent
CHEBI:48219
disinfectant
Desinfektionsmittel
ChEBI
desinfectant
ChEBI
disinfectants
ChEBI
disinfecting agent
ChEBI
A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.
0
C26H28Cl2N4O4
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
XMAYWYJOQHXEEK-OZXSUGGESA-N
531.43100
530.14876
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Beilstein:4241048
LINCS:LSM-5430
PDBeChem:KKK
Reaxys:4241048
(2R,4S)-ketoconazole
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
chebi_ontology
(2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
CHEBI:48336
(2R,4S)-ketoconazole
Beilstein:4241048
Beilstein
Reaxys:4241048
Reaxys
(2R,4S)-ketoconazole
UniProt
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
IUPAC
(2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
ChEBI
A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.
0
C26H28Cl2N4O4
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
XMAYWYJOQHXEEK-UHFFFAOYSA-N
531.43048
530.14876
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Beilstein:634785
DrugBank:DB01026
LINCS:LSM-5148
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
chebi_ontology
CHEBI:48339
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
Beilstein:634785
Beilstein
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
IUPAC
Compounds of structure RSSR'.
chebi_ontology
disulfides
CHEBI:48343
disulfide
disulfides
ChEBI
A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
polar solvent
chebi_ontology
polar solvents
CHEBI:48354
polar solvent
polar solvent
IUPAC
polar solvents
ChEBI
chebi_ontology
CHEBI:48355
non-polar solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
protogenic solvent
chebi_ontology
CHEBI:48356
protic solvent
protogenic solvent
IUPAC
Solvent that is capable of acting as a hydron (proton) acceptor.
protophilic solvent
chebi_ontology
HBA solvent
hydrogen bond acceptor solvent
CHEBI:48359
protophilic solvent
protophilic solvent
IUPAC
HBA solvent
ChEBI
hydrogen bond acceptor solvent
ChEBI
Self-ionizing solvent possessing both characteristics of Bronsted acids and bases.
amphiprotic solvent
chebi_ontology
CHEBI:48360
amphiprotic solvent
amphiprotic solvent
IUPAC
0
CH4N2O
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
XSQUKJJJFZCRTK-UHFFFAOYSA-N
60.05534
60.03236
NC(O)=N
Beilstein:773698
CAS:4744-36-9
carbamimidic acid
chebi_ontology
H2N-C(=NH)-OH
H2N-C(OH)=NH
HO-C(=NH)-NH2
Isoharnstoff
carbamimic acid
carbonamidimidic acid
isourea
pseudourea
CHEBI:48376
carbamimidic acid
Beilstein:773698
Beilstein
CAS:4744-36-9
ChemIDplus
carbamimidic acid
IUPAC
H2N-C(=NH)-OH
IUPAC
H2N-C(OH)=NH
IUPAC
HO-C(=NH)-NH2
IUPAC
Isoharnstoff
ChEBI
carbamimic acid
ChemIDplus
carbonamidimidic acid
IUPAC
isourea
ChemIDplus
pseudourea
ChemIDplus
Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH).
imidic acid
imidic acids
chebi_ontology
imidic acids
imino acids
CHEBI:48377
imidic acid
imidic acid
ChEBI
imidic acids
IUPAC
imidic acids
ChEBI
imino acids
IUPAC
carboximidic acid
carboximidic acids
chebi_ontology
carboximidic acids
CHEBI:48378
carboximidic acid
carboximidic acid
ChEBI
carboximidic acids
IUPAC
carboximidic acids
ChEBI
A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.
isoureas
chebi_ontology
isoureas
CHEBI:48379
isourea
isoureas
IUPAC
isoureas
ChEBI
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
CHEBI:67170
Wikipedia:Angiogenesis_inhibitor
chebi_ontology
angiogenesis antagonist
angiostatic agents
anti-angiogenic agent
CHEBI:48422
angiogenesis inhibitor
angiogenesis antagonist
ChEBI
angiostatic agents
ChEBI
anti-angiogenic agent
ChEBI
chebi_ontology
aryloxypyrimidines
CHEBI:48535
aryloxypyrimidine
aryloxypyrimidines
ChEBI
chebi_ontology
piperidone
CHEBI:48589
piperidones
piperidone
ChEBI
chebi_ontology
pyranoindolizinoquinolines
CHEBI:48626
pyranoindolizinoquinoline
pyranoindolizinoquinolines
ChEBI
Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
agonist
chebi_ontology
agonista
agoniste
agonists
CHEBI:48705
agonist
agonist
IUPAC
agonista
ChEBI
agoniste
ChEBI
agonists
ChEBI
Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.
antagonist
chebi_ontology
antagonista
antagoniste
antagonists
CHEBI:48706
antagonist
antagonist
IUPAC
antagonista
ChEBI
antagoniste
ChEBI
antagonists
ChEBI
An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.
0
C10H24N2O2
InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
AEUTYOVWOVBAKS-UWVGGRQHSA-N
204.30980
204.18378
CC[C@@H](CO)NCCN[C@@H](CC)CO
CHEBI:133410
CHEBI:659237
CHEBI:678172
Beilstein:6312870
CAS:74-55-5
DrugBank:DB00330
Drug_Central:1073
KEGG:C06984
KEGG:D07925
PMID:10649975
PMID:10891117
PMID:10966749
PMID:12182855
PMID:14695841
PMID:14698152
PMID:15225698
PMID:16005211
PMID:16759086
PMID:16870429
PMID:17210775
PMID:17239593
PMID:17276683
PMID:17315960
PMID:17331717
PMID:17562368
PMID:17851083
PMID:17888665
PMID:19524332
PMID:19648006
PMID:3934384
Reaxys:6312870
Wikipedia:Ethambutol
(2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol
Ethambutol
chebi_ontology
(+)-2,2'-(ethylenediimino)di-1-butanol
(+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine
(+)-S,S-ethambutol
(+)-ethambutol
(2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol
(S,S)-ethambutol
EMB
S,S-Ethambutol
etambutol
ethambutol
ethambutolum
CHEBI:4877
ethambutol
Beilstein:6312870
Beilstein
CAS:74-55-5
ChemIDplus
CAS:74-55-5
KEGG COMPOUND
Drug_Central:1073
DrugCentral
PMID:10649975
ChEMBL
PMID:10891117
ChEMBL
PMID:10966749
ChEMBL
PMID:12182855
ChEMBL
PMID:14695841
ChEMBL
PMID:14698152
ChEMBL
PMID:15225698
ChEMBL
PMID:16005211
ChEMBL
PMID:16759086
ChEMBL
PMID:16870429
ChEMBL
PMID:17210775
ChEMBL
PMID:17239593
ChEMBL
PMID:17276683
ChEMBL
PMID:17315960
ChEMBL
PMID:17331717
ChEMBL
PMID:17562368
ChEMBL
PMID:17851083
ChEMBL
PMID:17888665
ChEMBL
PMID:19524332
ChEMBL
PMID:19648006
ChEMBL
PMID:3934384
ChEMBL
Reaxys:6312870
Reaxys
(2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol
IUPAC
Ethambutol
KEGG_COMPOUND
(+)-2,2'-(ethylenediimino)di-1-butanol
ChemIDplus
(+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine
ChemIDplus
(+)-S,S-ethambutol
ChemIDplus
(+)-ethambutol
ChEBI
(2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol
ChEBI
(S,S)-ethambutol
ChEBI
EMB
ChEBI
S,S-Ethambutol
ChEMBL
etambutol
ChemIDplus
ethambutol
ChemIDplus
ethambutolum
ChemIDplus
0
CN
26.017
26.00307
C(#N)*
CHEBI:36824
CHEBI:48818
PDBeChem:CYN
cyanido
cyano
chebi_ontology
-C#N
-CN
CYANIDE GROUP
NC-
carbonitrile group
CHEBI:48819
cyano group
cyanido
IUPAC
cyano
IUPAC
-C#N
IUPAC
-CN
IUPAC
CYANIDE GROUP
PDBeChem
NC-
IUPAC
carbonitrile group
ChEBI
0
C21H38O8
InChI=1S/C21H38O8/c1-8-14-21(7,28)18(25)11(3)15(22)10(2)9-20(6,27)17(24)12(4)16(23)13(5)19(26)29-14/h10-14,16-18,23-25,27-28H,8-9H2,1-7H3/t10-,11+,12+,13-,14-,16+,17-,18-,20-,21-/m1/s1
YVTFLQUPRIIRFE-QUMKBVJLSA-N
418.52162
418.25667
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Beilstein:4570921
CAS:26754-37-0
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
chebi_ontology
Erythronolid A
CHEBI:48848
erythronolide A
Beilstein:4570921
Beilstein
CAS:26754-37-0
ChemIDplus
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
IUPAC
Erythronolid A
ChEBI
A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide.
0
C8H10N2S
InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
AEOCXXJPGCBFJA-UHFFFAOYSA-N
166.24448
166.05647
CCc1cc(ccn1)C(N)=S
Beilstein:116474
CAS:536-33-4
DrugBank:DB00609
Drug_Central:1083
HMDB:HMDB0014747
KEGG:C07665
KEGG:D00591
LINCS:LSM-5620
PMID:14651620
PMID:15673755
PMID:15850780
Patent:GB800250
Reaxys:116474
Wikipedia:Ethionamide
2-ethylpyridine-4-carbothioamide
Ethionamide
ethionamide
chebi_ontology
2-ethyl-4-thiopyridylamide
ETH
ETP
Ethinamide
Ethioniamide
Ethylisothiamide
Ethyonomide
Etionamid
Etionamide
Etioniamid
Trecator
ethionamidum
etionamida
CHEBI:4885
ethionamide
Beilstein:116474
Beilstein
CAS:536-33-4
ChemIDplus
CAS:536-33-4
KEGG COMPOUND
CAS:536-33-4
NIST Chemistry WebBook
Drug_Central:1083
DrugCentral
PMID:14651620
Europe PMC
PMID:15673755
Europe PMC
PMID:15850780
Europe PMC
Reaxys:116474
Reaxys
2-ethylpyridine-4-carbothioamide
IUPAC
Ethionamide
KEGG_COMPOUND
ethionamide
UniProt
2-ethyl-4-thiopyridylamide
ChEBI
ETH
DrugBank