Ontology about C. elegans and other nematode phenotypes C elegans Phenotype Ontology C_elegans_phenotype_ontology chris-grove 2025-04-01 definition The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. 2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. 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 has obsolescence reason Relates an annotation property to an obsolescence reason. The values of obsolescence reasons come from a list of predefined terms, instances of the class obsolescence reason specification. PERSON:Alan Ruttenberg PERSON:Melanie Courtot has obsolescence reason has ontology root term Ontology annotation property. Relates an ontology to a term that is a designated root term of the ontology. Display tools like OLS can use terms annotated with this property as the starting point for rendering the ontology class hierarchy. There can be more than one root. Nicolas Matentzoglu IAO:0000700 external has_ontology_root_term true true has_ontology_root_term has ontology root term has ontology root term term replaced by Use on obsolete terms, relating the term to another term that can be used as a substitute Person:Alan Ruttenberg Person:Alan Ruttenberg Add as annotation triples in the granting ontology term replaced by term replaced by 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 WB phenotype slim subset_property consider 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 disease characteristic (MONDO:0021125) has cross-reference (http://www.geneontology.org/formats/oboInOwl#hasDbXref) "NCIT:C41009"^^xsd:string An annotation property that links an ontology entity or a statement to a prefixed identifier or URI. 2024-03-18 database_cross_reference has 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_format_version 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/ 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 worm_anatomy worm_development 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/ 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 chebi_ontology external has_part false has_part has part has part preceded by x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. is preceded by preceded_by http://www.obofoundry.org/ro/#OBO_REL:preceded_by BFO:0000062 worm_development 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. 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 This document is about information artifacts and their representations A (currently) primitive relation that relates an information artifact to an entity. 7/6/2009 Alan Ruttenberg. Following discussion with Jonathan Rees, and introduction of "mentions" relation. Weaken the is_about relationship to be primitive. We will try to build it back up by elaborating the various subproperties that are more precisely defined. Some currently missing phenomena that should be considered "about" are predications - "The only person who knows the answer is sitting beside me" , Allegory, Satire, and other literary forms that can be topical without explicitly mentioning the topic. person:Alan Ruttenberg Smith, Ceusters, Ruttenberg, 2000 years of philosophy is about inheres in this fragility is a characteristic of this vase 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. 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 bearer of this apple is bearer of this red color this vase is bearer of this fragility Inverse of characteristic_of A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist. bearer_of is bearer of has characteristic participates in this blood clot participates in this blood coagulation this input material (or this output material) participates in this process this investigator participates in this investigation a relation between a continuant and a process, in which the continuant is somehow involved in the process participates_in participates in has participant this blood coagulation has participant this blood clot this investigation has participant this investigator this process has participant this input material (or this output material) a relation between a process and a continuant, in which the continuant is somehow involved in the process Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time. has_participant http://www.obofoundry.org/ro/#OBO_REL:has_participant has participant this catalysis function is a function of this enzyme a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists. function_of is function of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. function of this red color is a quality of this apple a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence A quality inheres in its bearer at all times for which the quality exists. is quality of quality_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. quality of this investigator role is a role of this person a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists. is role of role_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. role of this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function) a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists. has_function has function this apple has quality this red color a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. has_quality has quality this person has role this investigator role (more colloquially: this person has this role of investigator) a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has_role RO:0000087 chebi_ontology has_role false false has_role has role has role a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence has disposition inverse of has disposition This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. disposition of A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B. 2017-05-24T09:30:46Z has regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B. 2017-05-24T09:31:01Z By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. has negative regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B. 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 X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) ends after David Osumi-Sutherland starts_at_end_of RO:0002087 worm_development starts_at_end_of starts_at_end_of X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) immediately preceded by starts_at_end_of David Osumi-Sutherland ends_at_start_of meets X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) immediately precedes RO:0002092 external happens_during happens_during happens during RO:0002093 external ends_during ends_during ends during Relation between a neuron and a material anatomical entity that its soma is part of. <http://purl.obolibrary.org/obo/BFO_0000051> some ( <http://purl.obolibrary.org/obo/GO_0043025> and <http://purl.obolibrary.org/obo/BFO_0000050> some ?Y) has soma location x overlaps y if and only if there exists some z such that x has part z and z part of y http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y) overlaps true w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity. For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit. has component x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y RO:0002202 worm_anatomy develops_from develops_from This is the transitive form of the develops from relation develops from develops_from inverse of develops from develops into p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q. 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)". 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 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 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 has input https://wiki.geneontology.org/Has_input Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong] x has developmental contribution from y iff x has some part z such that z develops from y has developmental contribution from inverse of has developmental contribution from developmentally contributes to Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p false In general you should not use this relation to make assertions - use one of the more specific relations below this one This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from developmentally preceded by A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision. c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes. acts upstream of A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway. c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process. affects acts upstream of or within https://wiki.geneontology.org/Acts_upstream_of_or_within Inverse of developmentally preceded by developmentally succeeded by 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. results in developmental progression of p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q. 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. causally upstream of, negative effect q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w. Because part_of is transitive, inheres in is a sub-relation of characteristic of part of inheres in part of characteristic of part of true A 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) regulated by inverse of negatively regulates negatively regulated by inverse of positively regulates positively regulated by inverse of has input input of x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction). has developmental potential involving x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y has potential to developmentally contribute to x has the potential to develop into y iff x develops into y or if x is capable of developing into y This relation has a stronger meaning than merely indicating that X may develop into Y, in that the capability of developing into Y is always present, even if X does not always actually develop into Y. In particular, this means that if Y is restricted to a given taxon T, X is necessarily likewise restricted. has potential to develop into x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y has potential to directly develop into inverse of upstream of 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. 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. 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) affects causally upstream of or within inverse of causally upstream 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 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) 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 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' process has causal agent p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q. directly positively regulates (process to process) directly positively regulates 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) directly negatively regulates https://wiki.geneontology.org/Directly_negatively_regulates Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P. 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 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. regulates characteristic A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C. positively regulates characteristic A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C. negatively regulates characteristic This property only applies to neurons 2024-10-23T14:34:52Z is neuron This property only applies to anatomical entities. 2024-10-29T09:55:07Z is anatomical entity chebi_ontology has_functional_parent false false has functional parent chebi_ontology has_parent_hydride false false has parent hydride chebi_ontology is_conjugate_acid_of true false is conjugate acid of chebi_ontology is_conjugate_base_of true false is conjugate base of chebi_ontology is_enantiomer_of true false is enantiomer of chebi_ontology is_substituent_group_from false false is substituent group from chebi_ontology is_tautomer_of true is tautomer of 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 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] 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]) An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. process 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 Quality the ambient temperature of this portion of air the color of a tomato the length of the circumference of your waist the mass of this piece of gold. the shape of your nose the shape of your nostril a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] quality a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] sdc SpecificallyDependentContinuant Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key of one-sided specifically dependent continuants: the mass of this tomato of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. the disposition of this fish to decay the function of this heart: to pump blood the mutual dependence of proton donors and acceptors in chemical reactions [79 the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction the pink color of a medium rare piece of grilled filet mignon at its center the role of being a doctor the shape of this hole. the smell of this portion of mozzarella b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] 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 specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. per discussion with Barry Smith (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] role Role John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. the priest role the role of a boundary to demarcate two neighboring administrative territories the role of a building in serving as a military target the role of a stone in marking a property boundary the role of subject in a clinical trial the student role 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. BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] role b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] gdc GenericallyDependentContinuant The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. the pdf file on your laptop, the pdf file that is a copy thereof on my laptop the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] generically dependent continuant b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] function Function the function of a hammer to drive in nails the function of a heart pacemaker to regulate the beating of a heart through electricity the function of amylase in saliva to break down starch into sugar BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] function A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. Elucidation: An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. material entity 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 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 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 drug that makes increases the sensitivity of tumour cells to radiation therapy. PMID:12520460 Wikipedia:Radiosensitizer chebi_ontology radiosensitiser radiosensitisers radiosensitising agent radiosensitising agents radiosensitizer radiosensitizers radiosensitizing agents CHEBI:132992 radiosensitizing agent PMID:12520460 Europe PMC radiosensitiser ChEBI radiosensitisers ChEBI radiosensitising agent ChEBI radiosensitising agents ChEBI radiosensitizer ChEBI radiosensitizers ChEBI radiosensitizing agents ChEBI Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. Wikipedia:Volatile_organic_compound chebi_ontology VOC VOCs volatile organic compounds CHEBI:134179 volatile organic compound VOC ChEBI VOCs ChEBI volatile organic compounds ChEBI An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups. -1 CH2O3SR 94.091 93.97246 C(S([O-])(=O)=O)* CHEBI:22318 MetaCyc:Alkanesulfonates chebi_ontology alkanesulfonate oxoanions alkanesulfonates an alkanesulfonate CHEBI:134249 alkanesulfonate oxoanion alkanesulfonate oxoanions ChEBI alkanesulfonates ChEBI an alkanesulfonate UniProt A 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 Any steroid that has beta-configuration at position 5. chebi_ontology 5beta steroids 5beta-steroid 5beta-steroids CHEBI:136889 5beta steroid 5beta steroids ChEBI 5beta-steroid ChEBI 5beta-steroids ChEBI The monoprotonated form of quinine, the predominant species at pH7.3. +1 C20H25N2O2 InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19-,20+/m0/s1 LOUPRKONTZGTKE-WZBLMQSHSA-O 325.42470 325.19105 [H][C@]1(C[C@@H]2CC[N@H+]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12 (9R)-9-hydroxy-6'-methoxy-8alpha-cinchonan-1-ium chebi_ontology quinine CHEBI:137041 quinine(1+) (9R)-9-hydroxy-6'-methoxy-8alpha-cinchonan-1-ium IUPAC quinine UniProt An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included. Wikipedia:Metalloid chebi_ontology metalloid metalloids CHEBI:137980 metalloid atom metalloid ChEBI metalloids ChEBI An organic cation obtained by protonation of the amino group of any tertiary amino compound. +1 HNR3 15.015 15.01090 [NH+](*)(*)* chebi_ontology a tertiary amine tertiary amine(1+) tertiary ammonium ions CHEBI:137982 tertiary ammonium ion a tertiary amine UniProt tertiary amine(1+) ChEBI tertiary ammonium ions ChEBI An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. 0 C10H14N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 SNICXCGAKADSCV-UHFFFAOYSA-N 162.232 162.11570 C=1C=C(C2N(CCC2)C)C=NC1 3-(1-methylpyrrolidin-2-yl)pyridine chebi_ontology CHEBI:138000 3-(1-methylpyrrolidin-2-yl)pyridine 3-(1-methylpyrrolidin-2-yl)pyridine IUPAC 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 -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 ketone containing a hydroxy group on the alpha-carbon relative to the C=O group. 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 saturated fatty acid containing 4 carbons. 0 CHO2R 45.017 44.99765 *C(O)=O chebi_ontology CHEBI:140601 fatty acid 4:0 A purine ribonucleoside that is a purine derivative attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. 0 C10H11N4O4R2 251.219 251.07803 C1(=*)NC(=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)* chebi_ontology a purine D-ribonucleoside CHEBI:142355 purines D-ribonucleoside a purine D-ribonucleoside UniProt 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 organic anion that is the conjugate base of ouabain resulting from the deprotonation of the furanone moiety; major species at pH 7.3. -1 C29H43O12 InChI=1S/C29H43O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,11,13,15-19,21-25,30-32,34-38H,3-6,8-10,12H2,1-2H3/q-1/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 MPLJNVZJPLASQC-HBYQJFLCSA-N 583.652 583.27600 O1[C@H]([C@@H]([C@H]([C@H]([C@@H]1O[C@H]2C[C@H]([C@]3([C@@](C2)(CC[C@]4([C@]5(CC[C@@H]([C@]5(C[C@H]([C@]34[H])O)C)C=6[CH-]OC(C6)=O)O)[H])O)CO)O)O)O)O)C PMID:31075189 PMID:31087249 PMID:31170971 PMID:32326025 PMID:32368275 PMID:32488807 PMID:32651756 1beta,5,11alpha,14,19-pentahydroxy-17beta-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5beta,14beta-androstan-3beta-yl 6-deoxy-alpha-L-mannopyranoside chebi_ontology ouabain ouabain anion CHEBI:145798 ouabain(1-) PMID:31075189 Europe PMC PMID:31087249 Europe PMC PMID:31170971 Europe PMC PMID:32326025 Europe PMC PMID:32368275 Europe PMC PMID:32488807 Europe PMC PMID:32651756 Europe PMC 1beta,5,11alpha,14,19-pentahydroxy-17beta-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5beta,14beta-androstan-3beta-yl 6-deoxy-alpha-L-mannopyranoside IUPAC ouabain UniProt ouabain anion ChEBI Any substance that produces or enhances dream-like states of consciousness. Wikipedia:Oneirogen chebi_ontology oneirogens CHEBI:146270 oneirogen oneirogens ChEBI A quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug chloroquine. It is the major species at pH 7.3. +2 C18H28ClN3 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+2 WHTVZRBIWZFKQO-UHFFFAOYSA-P 321.890 321.19608 [NH+]1=CC=C(C=2C1=CC(Cl)=CC2)NC(CCC[NH+](CC)CC)C PMID:25693996 7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium chebi_ontology chloroquine dication di-protonated chloroquine CHEBI:149484 chloroquine(2+) PMID:25693996 Europe PMC 7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium IUPAC chloroquine dication ChEBI di-protonated chloroquine ChEBI An ammonium ion derivative obtained from protonation of the nitrogens of emetine. It is the major species at pH 7.3. +2 C29H42N2O4 InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/p+2/t18-,21-,24+,25-/m0/s1 AUVVAXYIELKVAI-CKBKHPSWSA-P 482.664 482.31336 C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)OC)OC)CC)OC)OC MetaCyc:CPD-14817 PMID:5985282 (2S)-6',7',10,11-tetramethoxyemetan-2',5-diium chebi_ontology emetine emetine dication CHEBI:149548 emetine(2+) PMID:5985282 Europe PMC (2S)-6',7',10,11-tetramethoxyemetan-2',5-diium IUPAC emetine UniProt emetine dication 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 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 purine nucleobase found in humans and other organisms. 0 C5H4N4O2 152.111 152.03343 ECMDB:ECMDB00292 KNApSAcK:C00019660 PMID:1557408 PMID:24629268 PMID:9007687 YMDB:YMDB00263 xanthine chebi_ontology 2,6-dioxopurine 2,6-dioxopurines xanthines CHEBI:15318 xanthine PMID:1557408 Europe PMC PMID:24629268 Europe PMC PMID:9007687 Europe PMC xanthine ChEBI 2,6-dioxopurine ChEBI 2,6-dioxopurines ChEBI xanthines ChEBI A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity. CHEBI:13699 CHEBI:2377 KEGG:C00028 KEGG:C16722 Acceptor chebi_ontology A Akzeptor Hydrogen-acceptor Oxidized donor accepteur CHEBI:15339 acceptor Acceptor KEGG_COMPOUND A KEGG_COMPOUND Akzeptor ChEBI Hydrogen-acceptor KEGG_COMPOUND Oxidized donor KEGG_COMPOUND accepteur ChEBI A methyl ketone that consists of propane bearing an oxo group at C2. 0 C3H6O InChI=1S/C3H6O/c1-3(2)4/h1-2H3 CSCPPACGZOOCGX-UHFFFAOYSA-N 58.07914 58.04186 CC(C)=O CHEBI:13708 CHEBI:22182 CHEBI:2398 CHEBI:40571 CAS:67-64-1 Gmelin:1466 HMDB:HMDB0001659 KEGG:C00207 KEGG:D02311 LIPID_MAPS_instance:LMFA12000057 MetaCyc:ACETONE PDBeChem:ACN PMID:17190852 PMID:17347819 Reaxys:635680 UM-BBD_compID:c0556 Wikipedia:Acetone ACETONE Acetone acetone propan-2-one chebi_ontology 2-Propanone Aceton Azeton Dimethyl ketone Dimethylketon Propanon Pyroacetic ether beta-Ketopropane dimethylcetone dimethylketone methyl ketone propanone CHEBI:15347 acetone CAS:67-64-1 ChemIDplus CAS:67-64-1 KEGG COMPOUND CAS:67-64-1 NIST Chemistry WebBook Gmelin:1466 Gmelin LIPID_MAPS_instance:LMFA12000057 LIPID MAPS PMID:17190852 Europe PMC PMID:17347819 Europe PMC Reaxys:635680 Reaxys UM-BBD_compID:c0556 UM-BBD ACETONE PDBeChem Acetone KEGG_COMPOUND acetone ChEBI acetone UniProt propan-2-one IUPAC 2-Propanone KEGG_COMPOUND Aceton ChemIDplus Azeton ChEBI Dimethyl ketone KEGG_COMPOUND Dimethylketon ChEBI Propanon ChEBI Pyroacetic ether HMDB beta-Ketopropane HMDB dimethylcetone ChEBI dimethylketone MetaCyc methyl ketone ChemIDplus propanone ChemIDplus Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. +1 C7H16NO2 InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N 146.20748 146.11756 CC(=O)OCC[N+](C)(C)C CHEBI:12686 CHEBI:13715 CHEBI:22197 CHEBI:2416 CHEBI:40559 Beilstein:1764436 CAS:51-84-3 DrugBank:DB03128 Drug_Central:65 Gmelin:326108 KEGG:C01996 LINCS:LSM-5888 PDBeChem:ACH PMID:14764638 PMID:15014918 PMID:15231705 PMID:15361288 PMID:18050502 PMID:18407448 PMID:19255787 PMID:20963497 PMID:21130809 PMID:21246223 PMID:21545631 PMID:21601579 Wikipedia:Acetylcholine 2-acetyloxy-N,N,N-trimethylethanaminium ACETYLCHOLINE Acetylcholine acetylcholine chebi_ontology ACh Azetylcholin O-Acetylcholine choline acetate CHEBI:15355 acetylcholine Beilstein:1764436 ChemIDplus CAS:51-84-3 ChemIDplus CAS:51-84-3 KEGG COMPOUND Drug_Central:65 DrugCentral Gmelin:326108 Gmelin PMID:14764638 Europe PMC PMID:15014918 Europe PMC PMID:15231705 Europe PMC PMID:15361288 Europe PMC PMID:18050502 Europe PMC PMID:18407448 Europe PMC PMID:19255787 Europe PMC PMID:20963497 Europe PMC PMID:21130809 Europe PMC PMID:21246223 Europe PMC PMID:21545631 Europe PMC PMID:21601579 Europe PMC 2-acetyloxy-N,N,N-trimethylethanaminium IUPAC ACETYLCHOLINE PDBeChem Acetylcholine KEGG_COMPOUND acetylcholine UniProt ACh ChemIDplus Azetylcholin ChEBI O-Acetylcholine KEGG_COMPOUND choline acetate ChemIDplus A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N 121.15922 121.01975 NC(CS)C(O)=O CHEBI:14061 CHEBI:23508 CHEBI:4050 CAS:3374-22-9 Gmelin:2933 KEGG:C00736 KNApSAcK:C00001351 KNApSAcK:C00007323 PMID:17439666 PMID:25181601 Reaxys:1721406 Wikipedia:Cysteine Cysteine cysteine chebi_ontology 2-Amino-3-mercaptopropionic acid 2-amino-3-mercaptopropanoic acid 2-amino-3-sulfanylpropanoic acid C Cys Cystein Hcys Zystein cisteina CHEBI:15356 cysteine CAS:3374-22-9 ChemIDplus CAS:3374-22-9 KEGG COMPOUND CAS:3374-22-9 NIST Chemistry WebBook Gmelin:2933 Gmelin PMID:17439666 Europe PMC PMID:25181601 Europe PMC Reaxys:1721406 Reaxys Cysteine KEGG_COMPOUND cysteine ChEBI cysteine IUPAC 2-Amino-3-mercaptopropionic acid KEGG_COMPOUND 2-amino-3-mercaptopropanoic acid JCBN 2-amino-3-sulfanylpropanoic acid IUPAC C ChEBI Cys ChEBI Cystein ChEBI Hcys IUPAC Zystein ChEBI cisteina ChEBI A 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 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 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 An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. 0 C10H16N5O13P3 InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-N 507.18100 506.99575 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O CHEBI:10789 CHEBI:10841 CHEBI:13236 CHEBI:22249 CHEBI:2359 CHEBI:40938 CAS:56-65-5 DrugBank:DB00171 Drug_Central:91 Gmelin:34857 HMDB:HMDB0000538 KEGG:C00002 KEGG:D08646 KNApSAcK:C00001491 PDBeChem:ATP Patent:US3079379 Reaxys:73010 Wikipedia:Adenosine_triphosphate ATP adenosine 5'-(tetrahydrogen triphosphate) chebi_ontology ADENOSINE-5'-TRIPHOSPHATE Adenosine 5'-triphosphate Adenosine triphosphate H4atp CHEBI:15422 ATP CAS:56-65-5 ChemIDplus CAS:56-65-5 KEGG COMPOUND Drug_Central:91 DrugCentral Gmelin:34857 Gmelin Reaxys:73010 Reaxys ATP KEGG_COMPOUND adenosine 5'-(tetrahydrogen triphosphate) IUPAC ADENOSINE-5'-TRIPHOSPHATE PDBeChem Adenosine 5'-triphosphate KEGG_COMPOUND Adenosine triphosphate ChemIDplus H4atp IUPAC A peptide zwitterion obtained from the tranfer of a proton from the carboxy group to the amino group of any tripeptide. It contains an equal number of positively-charged and negatively-charged functional groups. Major structure at pH 7.3. 0 C6H8N3O4R3 186.146 186.05148 C(=O)([C@@H]([NH3+])*)N[C@H](C(=O)N[C@H](C(=O)[O-])*)* chebi_ontology L-amino acid tripeptide zwitterion L-amino acid tripeptide zwitterions amino acid tripeptide zwitterion amino acid tripeptide zwitterions an L-amino acid tripeptide CHEBI:155837 tripeptide zwitterion L-amino acid tripeptide zwitterion ChEBI L-amino acid tripeptide zwitterions ChEBI amino acid tripeptide zwitterion ChEBI amino acid tripeptide zwitterions ChEBI an L-amino acid tripeptide UniProt 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 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 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 An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. 0 C5H12O InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 PHTQWCKDNZKARW-UHFFFAOYSA-N 88.14818 88.08882 CC(C)CCO CHEBI:11855 CHEBI:1597 CHEBI:20125 CHEBI:43359 CAS:123-51-3 DrugBank:DB02296 Gmelin:49460 HMDB:HMDB0006007 KEGG:C07328 PMID:23043843 PMID:23698045 PMID:24487533 PMID:24767042 PMID:24804072 PMID:24862930 Reaxys:1718835 YMDB:YMDB00570 3-methylbutan-1-ol isoamylol chebi_ontology 1-HYDROXY-3-METHYLBUTANE 2-methyl-4-butanol 3-Methylbutanol 3-methyl-1-butanol 3-methylbutanol Iso-amylalkohol Isoamyl alcohol Isopentyl alcohol Isopentylalkohol alcool isoamylique i-amyl alcohol isobutylcarbinol isopentan-1-ol isopentanol primary isoamyl alcohol CHEBI:15837 isoamylol CAS:123-51-3 ChemIDplus CAS:123-51-3 KEGG COMPOUND CAS:123-51-3 NIST Chemistry WebBook Gmelin:49460 Gmelin PMID:23043843 Europe PMC PMID:23698045 Europe PMC PMID:24487533 Europe PMC PMID:24767042 Europe PMC PMID:24804072 Europe PMC PMID:24862930 Europe PMC Reaxys:1718835 Reaxys 3-methylbutan-1-ol IUPAC isoamylol ChemIDplus 1-HYDROXY-3-METHYLBUTANE PDBeChem 2-methyl-4-butanol ChemIDplus 3-Methylbutanol KEGG_COMPOUND 3-methyl-1-butanol NIST_Chemistry_WebBook 3-methylbutanol UniProt Iso-amylalkohol ChemIDplus Isoamyl alcohol KEGG_COMPOUND Isopentyl alcohol KEGG_COMPOUND Isopentylalkohol ChEBI alcool isoamylique ChemIDplus i-amyl alcohol NIST_Chemistry_WebBook isobutylcarbinol ChemIDplus isopentan-1-ol NIST_Chemistry_WebBook isopentanol ChemIDplus primary isoamyl alcohol ChemIDplus A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. 0 C20H24N2O2 InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 LOUPRKONTZGTKE-WZBLMQSHSA-N 324.41680 324.18378 [H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12 CHEBI:127176 CHEBI:15001 CHEBI:26499 CHEBI:355947 CHEBI:569215 CHEBI:602929 CHEBI:8723 Beilstein:91867 CAS:130-95-0 DrugBank:DB00468 Drug_Central:4523 KEGG:C06526 KEGG:D08460 KNApSAcK:C00002193 PMID:10821711 PMID:10891117 PMID:10937718 PMID:11212126 PMID:11549443 PMID:11728183 PMID:11844668 PMID:11855978 PMID:12127529 PMID:12213073 PMID:12217353 PMID:12477351 PMID:12502361 PMID:12798326 PMID:12873511 PMID:14761192 PMID:15026051 PMID:15027870 PMID:15225721 PMID:15857133 PMID:16524728 PMID:16933872 PMID:17482816 PMID:17506538 PMID:17570664 PMID:17850126 PMID:18348514 PMID:18788725 PMID:2579237 PMID:2657065 PMID:7009867 PMID:8182707 Wikipedia:Quinine (9R)-6'-methoxy-8alpha-cinchonan-9-ol Quinine quinine chebi_ontology (-)-Quinine (-)-quinine (8S,9R)-quinine (R)-(-)-quinine (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol 6'-methoxycinchonidine Chinin chinine chininum quinina CHEBI:15854 quinine Beilstein:91867 Beilstein CAS:130-95-0 ChemIDplus CAS:130-95-0 KEGG COMPOUND CAS:130-95-0 NIST Chemistry WebBook Drug_Central:4523 DrugCentral PMID:10821711 ChEMBL PMID:10891117 ChEMBL PMID:10937718 ChEMBL PMID:11212126 ChEMBL PMID:11549443 ChEMBL PMID:11728183 ChEMBL PMID:11844668 ChEMBL PMID:11855978 ChEMBL PMID:12127529 ChEMBL PMID:12213073 ChEMBL PMID:12217353 ChEMBL PMID:12477351 ChEMBL PMID:12502361 ChEMBL PMID:12798326 ChEMBL PMID:12873511 ChEMBL PMID:14761192 Europe PMC PMID:15026051 ChEMBL PMID:15027870 ChEMBL PMID:15225721 ChEMBL PMID:15857133 ChEMBL PMID:16524728 ChEMBL PMID:16933872 ChEMBL PMID:17482816 ChEMBL PMID:17506538 ChEMBL PMID:17570664 ChEMBL PMID:17850126 ChEMBL PMID:18348514 ChEMBL PMID:18788725 ChEMBL PMID:2579237 ChEMBL PMID:2657065 ChEMBL PMID:7009867 ChEMBL PMID:8182707 ChEMBL (9R)-6'-methoxy-8alpha-cinchonan-9-ol IUPAC Quinine KEGG_COMPOUND quinine ChEMBL (-)-Quinine KEGG_COMPOUND (-)-quinine ChemIDplus (8S,9R)-quinine NIST_Chemistry_WebBook (R)-(-)-quinine ChEBI (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol ChEBI 6'-methoxycinchonidine ChEBI Chinin ChemIDplus chinine ChEBI chininum ChEBI quinina ChEBI -1 Br InChI=1S/BrH/h1H/p-1 CPELXLSAUQHCOX-UHFFFAOYSA-M 79.90400 78.91889 [Br-] CHEBI:13918 CHEBI:3178 CHEBI:49515 Beilstein:3587179 CAS:24959-67-9 Gmelin:14908 KEGG:C00720 KEGG:C01324 PDBeChem:BR Bromide bromide bromide(1-) chebi_ontology BROMIDE ION Br(-) Br- bromine anion CHEBI:15858 bromide Beilstein:3587179 Beilstein CAS:24959-67-9 ChemIDplus CAS:24959-67-9 KEGG COMPOUND CAS:24959-67-9 NIST Chemistry WebBook Gmelin:14908 Gmelin Bromide KEGG_COMPOUND bromide IUPAC bromide UniProt bromide(1-) IUPAC BROMIDE ION PDBeChem Br(-) IUPAC Br- KEGG_COMPOUND bromine anion NIST_Chemistry_WebBook 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 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 The simplest member of the class of cyclopentanols bearing a single hydroxy substituent. The parent of the class of cyclopentanols. 0 C5H10O InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2 XCIXKGXIYUWCLL-UHFFFAOYSA-N 86.13230 86.07316 OC1CCCC1 CHEBI:14057 CHEBI:23494 CHEBI:4022 CAS:96-41-3 KEGG:C02020 MetaCyc:CYCLOPENTANOL PMID:22145629 PMID:24273356 Reaxys:1900556 Wikipedia:Cyclopentanol Cyclopentanol cyclopentanol chebi_ontology Cyclopentyl alcohol Hydroxycyclopentane CHEBI:16133 cyclopentanol CAS:96-41-3 ChemIDplus CAS:96-41-3 KEGG COMPOUND CAS:96-41-3 NIST Chemistry WebBook PMID:22145629 Europe PMC PMID:24273356 Europe PMC Reaxys:1900556 Reaxys Cyclopentanol KEGG_COMPOUND cyclopentanol IUPAC cyclopentanol UniProt Cyclopentyl alcohol KEGG_COMPOUND Hydroxycyclopentane ChemIDplus 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 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 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 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 A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). 0 CH4 InChI=1S/CH4/h1H4 VNWKTOKETHGBQD-UHFFFAOYSA-N 16.04246 16.03130 [H]C([H])([H])[H] CHEBI:14585 CHEBI:25220 CHEBI:6811 CAS:74-82-8 Gmelin:59 HMDB:HMDB0002714 KEGG:C01438 MetaCyc:CH4 PMID:17791569 PMID:23104415 PMID:23353606 PMID:23376302 PMID:23397538 PMID:23718889 PMID:23739479 PMID:23742231 PMID:23756351 PMID:24132456 PMID:24161402 PMID:24259373 Patent:FR994032 Patent:US2583090 Reaxys:1718732 UM-BBD_compID:c0095 Wikipedia:Methane Methane methane tetrahydridocarbon chebi_ontology CH4 Methan marsh gas metano methyl hydride CHEBI:16183 methane CAS:74-82-8 ChemIDplus CAS:74-82-8 KEGG COMPOUND CAS:74-82-8 NIST Chemistry WebBook Gmelin:59 Gmelin PMID:17791569 Europe PMC PMID:23104415 Europe PMC PMID:23353606 Europe PMC PMID:23376302 Europe PMC PMID:23397538 Europe PMC PMID:23718889 Europe PMC PMID:23739479 Europe PMC PMID:23742231 Europe PMC PMID:23756351 Europe PMC PMID:24132456 Europe PMC PMID:24161402 Europe PMC PMID:24259373 Europe PMC Reaxys:1718732 Reaxys UM-BBD_compID:c0095 UM-BBD Methane KEGG_COMPOUND methane ChEBI methane IUPAC methane UniProt tetrahydridocarbon IUPAC CH4 IUPAC Methan ChEBI marsh gas NIST_Chemistry_WebBook metano ChEBI methyl hydride ChemIDplus 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 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 CAS:57-13-6 ChemIDplus CAS:57-13-6 KEGG COMPOUND CAS:57-13-6 NIST Chemistry WebBook Drug_Central:4264 DrugCentral Gmelin:1378 Gmelin PMID:18037357 Europe PMC PMID:22770225 Europe PMC Reaxys:635724 Reaxys UM-BBD_compID:c0165 UM-BBD UREA PDBeChem Urea KEGG_COMPOUND urea IUPAC urea UniProt 1728 PPDB Carbamide KEGG_COMPOUND E927b ChEBI H2NC(O)NH2 ChEBI Harnstoff NIST_Chemistry_WebBook Karbamid ChEBI carbamide ChEBI carbonyldiamide NIST_Chemistry_WebBook ur IUPAC uree ChEBI A 2-aminopurine carrying a 6-oxo substituent. 0 C5H5N5O InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) UYTPUPDQBNUYGX-UHFFFAOYSA-N 151.126 151.04941 C12=C(N=C(NC1=O)N)NC=N2 CHEBI:14371 CHEBI:14372 CHEBI:24443 CHEBI:42948 CHEBI:5563 CAS:73-40-5 DrugBank:DB02377 Gmelin:431879 HMDB:HMDB0000132 KEGG:C00242 KNApSAcK:C00001501 MetaCyc:GUANINE PDBeChem:GUN PMID:22770225 PMID:8070089 Reaxys:147911 Wikipedia:Guanine 2-amino-1,9-dihydro-6H-purin-6-one GUANINE Guanine guanine chebi_ontology 2-Amino-6-hydroxypurine 2-amino-6-oxopurine G Gua CHEBI:16235 guanine CAS:73-40-5 ChemIDplus CAS:73-40-5 KEGG COMPOUND CAS:73-40-5 NIST Chemistry WebBook Gmelin:431879 Gmelin PMID:22770225 Europe PMC PMID:8070089 Europe PMC Reaxys:147911 Reaxys 2-amino-1,9-dihydro-6H-purin-6-one IUPAC GUANINE PDBeChem Guanine KEGG_COMPOUND guanine UniProt 2-Amino-6-hydroxypurine KEGG_COMPOUND 2-amino-6-oxopurine ChEBI G ChEBI Gua CBN A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. 0 C2H6O InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 LFQSCWFLJHTTHZ-UHFFFAOYSA-N 46.06844 46.04186 CCO CHEBI:14222 CHEBI:23978 CHEBI:30878 CHEBI:30880 CHEBI:42377 CHEBI:44594 CHEBI:4879 CAS:64-17-5 DrugBank:DB00898 Drug_Central:1076 Gmelin:787 HMDB:HMDB0000108 KEGG:C00469 KEGG:D00068 KEGG:D06542 KNApSAcK:C00019560 MetaCyc:ETOH MolBase:858 MolBase:859 PDBeChem:EOH PMID:11046114 PMID:11090978 PMID:11198720 PMID:11200745 PMID:11262320 PMID:11303910 PMID:11333032 PMID:11505026 PMID:11590970 PMID:11728426 PMID:11750186 PMID:11754521 PMID:11810019 PMID:11826039 PMID:11981228 PMID:12824058 PMID:12829422 PMID:12888778 PMID:12946583 PMID:14674846 PMID:15019421 PMID:15239123 PMID:15285839 PMID:15464411 PMID:15465973 PMID:15749123 PMID:15900217 PMID:15902919 PMID:16084479 PMID:16133132 PMID:16352430 PMID:16390872 PMID:16737463 PMID:16891664 PMID:16934862 PMID:17043811 PMID:17190852 PMID:17663926 PMID:17687877 PMID:18095657 PMID:18249266 PMID:18320157 PMID:18347649 PMID:18408978 PMID:18411066 PMID:18456322 PMID:18513832 PMID:18922656 PMID:18925476 PMID:19280886 PMID:19359288 PMID:19384566 PMID:19458312 PMID:19851413 PMID:19901811 PMID:21600756 PMID:21762181 PMID:21881875 PMID:21967628 PMID:22019193 PMID:22222864 PMID:22261437 PMID:22286266 PMID:22306018 PMID:22331491 PMID:22336593 PPDB:1373 Reaxys:1718733 UM-BBD_compID:c0038 Wikipedia:Ethanol ETHANOL Ethanol ethanol chebi_ontology 1-hydroxyethane Aethanol Aethylalkohol Alkohol C2H5OH Dehydrated ethanol EtOH Ethyl alcohol Methylcarbinol [CH2Me(OH)] [OEtH] alcohol alcohol etilico alcool ethylique etanol hydroxyethane spiritus vini CHEBI:16236 ethanol CAS:64-17-5 ChemIDplus CAS:64-17-5 KEGG COMPOUND CAS:64-17-5 NIST Chemistry WebBook Drug_Central:1076 DrugCentral Gmelin:787 Gmelin PMID:11046114 Europe PMC PMID:11090978 Europe PMC PMID:11198720 Europe PMC PMID:11200745 Europe PMC PMID:11262320 Europe PMC PMID:11303910 Europe PMC PMID:11333032 Europe PMC PMID:11505026 Europe PMC PMID:11590970 Europe PMC PMID:11728426 Europe PMC PMID:11750186 Europe PMC PMID:11754521 Europe PMC PMID:11810019 Europe PMC PMID:11826039 Europe PMC PMID:11981228 Europe PMC PMID:12824058 Europe PMC PMID:12829422 Europe PMC PMID:12888778 Europe PMC PMID:12946583 Europe PMC PMID:14674846 Europe PMC PMID:15019421 Europe PMC PMID:15239123 Europe PMC PMID:15285839 Europe PMC PMID:15464411 Europe PMC PMID:15465973 Europe PMC PMID:15749123 Europe PMC PMID:15900217 Europe PMC PMID:15902919 Europe PMC PMID:16084479 Europe PMC PMID:16133132 Europe PMC PMID:16352430 Europe PMC PMID:16390872 Europe PMC PMID:16737463 Europe PMC PMID:16891664 Europe PMC PMID:16934862 Europe PMC PMID:17043811 Europe PMC PMID:17190852 Europe PMC PMID:17663926 Europe PMC PMID:17687877 Europe PMC PMID:18095657 Europe PMC PMID:18249266 Europe PMC PMID:18320157 Europe PMC PMID:18347649 Europe PMC PMID:18408978 Europe PMC PMID:18411066 Europe PMC PMID:18456322 Europe PMC PMID:18513832 Europe PMC PMID:18922656 Europe PMC PMID:18925476 Europe PMC PMID:19280886 Europe PMC PMID:19359288 Europe PMC PMID:19384566 Europe PMC PMID:19458312 Europe PMC PMID:19851413 Europe PMC PMID:19901811 Europe PMC PMID:21600756 Europe PMC PMID:21762181 Europe PMC PMID:21881875 Europe PMC PMID:21967628 Europe PMC PMID:22019193 Europe PMC PMID:22222864 Europe PMC PMID:22261437 Europe PMC PMID:22286266 Europe PMC PMID:22306018 Europe PMC PMID:22331491 Europe PMC PMID:22336593 Europe PMC Reaxys:1718733 Reaxys UM-BBD_compID:c0038 UM-BBD ETHANOL PDBeChem Ethanol KEGG_COMPOUND ethanol ChEBI ethanol IUPAC ethanol UniProt 1-hydroxyethane ChemIDplus Aethanol ChemIDplus Aethylalkohol ChemIDplus Alkohol ChemIDplus C2H5OH ChEBI Dehydrated ethanol KEGG_DRUG EtOH ChemIDplus Ethyl alcohol KEGG_COMPOUND Methylcarbinol KEGG_COMPOUND [CH2Me(OH)] MolBase [OEtH] MolBase alcohol NIST_Chemistry_WebBook alcohol etilico ChEBI alcool ethylique ChemIDplus etanol ChEBI hydroxyethane ChemIDplus spiritus vini ChEBI An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond. 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 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 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 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 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 A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. 0 C10H13N5O4 InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 267.24152 267.09675 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CHEBI:13734 CHEBI:22237 CHEBI:2472 CHEBI:40558 CHEBI:40825 CHEBI:40906 CAS:58-61-7 DrugBank:DB00640 Drug_Central:90 ECMDB:ECMDB00050 Gmelin:53385 HMDB:HMDB0000050 KEGG:C00212 KEGG:D00045 KNApSAcK:C00007444 LINCS:LSM-28568 MetaCyc:ADENOSINE PDBeChem:ADN PDBeChem:ArF00 PDBeChem:ArS00 PMID:11213237 PMID:11820865 PMID:11978011 PMID:16183671 PMID:16917093 PMID:17190852 PMID:18000974 PMID:323854 Reaxys:93029 Wikipedia:Adenosine YMDB:YMDB00058 ADENOSINE Adenosine adenosine chebi_ontology (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 6-Amino-9-beta-D-ribofuranosyl-9H-purine 9-beta-D-Ribofuranosidoadenine 9-beta-D-Ribofuranosyl-9H-purin-6-amine 9-beta-D-ribofuranosyl-9H-purin-6-amine 9-beta-D-ribofuranosyladenine Ade-Rib Adenocard Adenocor Adenoscan Adenosin Ado adenine riboside beta-D-adenosine CHEBI:16335 adenosine CAS:58-61-7 ChemIDplus CAS:58-61-7 KEGG COMPOUND CAS:58-61-7 NIST Chemistry WebBook Drug_Central:90 DrugCentral Gmelin:53385 Gmelin PMID:11213237 Europe PMC PMID:11820865 Europe PMC PMID:11978011 Europe PMC PMID:16183671 Europe PMC PMID:16917093 Europe PMC PMID:17190852 Europe PMC PMID:18000974 Europe PMC PMID:323854 Europe PMC Reaxys:93029 Reaxys ADENOSINE PDBeChem Adenosine KEGG_COMPOUND adenosine IUPAC adenosine UniProt (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol DrugBank 6-Amino-9-beta-D-ribofuranosyl-9H-purine ChemIDplus 9-beta-D-Ribofuranosidoadenine ChemIDplus 9-beta-D-Ribofuranosyl-9H-purin-6-amine ChemIDplus 9-beta-D-ribofuranosyl-9H-purin-6-amine ChEBI 9-beta-D-ribofuranosyladenine HMDB Ade-Rib CBN Adenocard DrugBank Adenocor DrugBank Adenoscan DrugBank Adenosin ChEBI Ado CBN adenine riboside HMDB beta-D-adenosine ChemIDplus An optically active form of cysteine having D-configuration. 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-N 121.15922 121.01975 N[C@H](CS)C(O)=O CHEBI:12919 CHEBI:20921 CHEBI:4111 CHEBI:41887 CAS:921-01-7 DrugBank:DB03201 ECMDB:ECMDB03417 Gmelin:363236 HMDB:HMDB0003417 KEGG:C00793 KNApSAcK:C00007323 PDBeChem:DCY PMID:13761469 PMID:23340406 PMID:24800864 Reaxys:1721407 YMDB:YMDB00913 D-CYSTEINE D-Cysteine D-cysteine chebi_ontology (2S)-2-amino-3-mercaptopropanoic acid (2S)-2-amino-3-sulfanylpropanoic acid (S)-2-amino-3-mercaptopropanoic acid D-Amino-3-mercaptopropionic acid D-Cystein D-Zystein DCY CHEBI:16375 D-cysteine CAS:921-01-7 ChemIDplus CAS:921-01-7 KEGG COMPOUND Gmelin:363236 Gmelin PMID:13761469 Europe PMC PMID:23340406 Europe PMC PMID:24800864 Europe PMC Reaxys:1721407 Reaxys D-CYSTEINE PDBeChem D-Cysteine KEGG_COMPOUND D-cysteine IUPAC (2S)-2-amino-3-mercaptopropanoic acid JCBN (2S)-2-amino-3-sulfanylpropanoic acid IUPAC (S)-2-amino-3-mercaptopropanoic acid ChEBI D-Amino-3-mercaptopropionic acid KEGG_COMPOUND D-Cystein ChEBI D-Zystein ChEBI DCY PDBeChem -1 I InChI=1S/HI/h1H/p-1 XMBWDFGMSWQBCA-UHFFFAOYSA-M 126.90447 126.90502 [I-] CHEBI:14460 CHEBI:49698 CHEBI:5946 Beilstein:3587184 CAS:20461-54-5 Gmelin:14912 KEGG:C00708 PDBeChem:IOD Iodide iodide iodide(1-) chebi_ontology I(-) I- IODIDE ION iodine anion CHEBI:16382 iodide Beilstein:3587184 Beilstein CAS:20461-54-5 ChemIDplus CAS:20461-54-5 NIST Chemistry WebBook Gmelin:14912 Gmelin Iodide KEGG_COMPOUND iodide IUPAC iodide UniProt iodide(1-) IUPAC I(-) IUPAC I- KEGG_COMPOUND IODIDE ION PDBeChem iodine anion NIST_Chemistry_WebBook 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 A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food. 0 CO2 InChI=1S/CO2/c2-1-3 CURLTUGMZLYLDI-UHFFFAOYSA-N 44.010 43.98983 O=C=O CHEBI:13282 CHEBI:13283 CHEBI:13284 CHEBI:13285 CHEBI:23011 CHEBI:3283 CHEBI:48829 CAS:124-38-9 Drug_Central:4256 Gmelin:989 HMDB:HMDB0001967 KEGG:C00011 KEGG:D00004 MetaCyc:CARBON-DIOXIDE MolBase:752 PDBeChem:CO2 PMID:10826146 PMID:11094503 PMID:11584085 PMID:11802652 PMID:14639145 PMID:15050588 PMID:16591971 PMID:16656478 PMID:16659660 PMID:17190796 PMID:17448243 PMID:17878298 PMID:17884085 PMID:19043767 PMID:19259576 PMID:19854893 PMID:23384758 PMID:23828359 PMID:24258718 PMID:8482095 PMID:8818713 PMID:8869828 PMID:9611769 PMID:9730350 PPDB:119 Reaxys:1900390 UM-BBD_compID:c0131 Wikipedia:Carbon_dioxide CARBON DIOXIDE Carbon dioxide carbon dioxide dioxidocarbon methanedione chebi_ontology CO2 E 290 E-290 E290 R-744 [CO2] carbonic anhydride CHEBI:16526 carbon dioxide CAS:124-38-9 ChemIDplus CAS:124-38-9 KEGG COMPOUND CAS:124-38-9 NIST Chemistry WebBook Drug_Central:4256 DrugCentral Gmelin:989 Gmelin PMID:10826146 Europe PMC PMID:11094503 Europe PMC PMID:11584085 Europe PMC PMID:11802652 Europe PMC PMID:14639145 Europe PMC PMID:15050588 Europe PMC PMID:16591971 Europe PMC PMID:16656478 Europe PMC PMID:16659660 Europe PMC PMID:17190796 Europe PMC PMID:17448243 Europe PMC PMID:17878298 Europe PMC PMID:17884085 Europe PMC PMID:19043767 Europe PMC PMID:19259576 Europe PMC PMID:19854893 Europe PMC PMID:23384758 Europe PMC PMID:23828359 Europe PMC PMID:24258718 Europe PMC PMID:8482095 Europe PMC PMID:8818713 Europe PMC PMID:8869828 Europe PMC PMID:9611769 Europe PMC PMID:9730350 Europe PMC Reaxys:1900390 Reaxys UM-BBD_compID:c0131 UM-BBD CARBON DIOXIDE PDBeChem Carbon dioxide KEGG_COMPOUND carbon dioxide IUPAC dioxidocarbon IUPAC methanedione IUPAC CO2 KEGG_COMPOUND CO2 UniProt E 290 ChEBI E-290 ChEBI E290 ChEBI R-744 ChEBI [CO2] MolBase carbonic anhydride UM-BBD A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. 0 C2H4OS InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N 76.11856 75.99829 CC(S)=O CHEBI:9547 CAS:507-09-5 Gmelin:49262 KEGG:C01857 PMID:23298036 Reaxys:773684 ethanethioic S-acid chebi_ontology CH3COSH Thioacetic acid acetyl mercaptan thioacetic S-acid CHEBI:16555 ethanethioic S-acid CAS:507-09-5 ChemIDplus CAS:507-09-5 KEGG COMPOUND CAS:507-09-5 NIST Chemistry WebBook Gmelin:49262 Gmelin PMID:23298036 Europe PMC Reaxys:773684 Reaxys ethanethioic S-acid IUPAC CH3COSH NIST_Chemistry_WebBook Thioacetic acid KEGG_COMPOUND acetyl mercaptan NIST_Chemistry_WebBook thioacetic S-acid NIST_Chemistry_WebBook An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. 0 C4H6O2 InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 QSJXEFYPDANLFS-UHFFFAOYSA-N 86.08924 86.03678 CC(=O)C(C)=O CHEBI:14134 CHEBI:4479 CAS:431-03-8 HMDB:HMDB0003407 KEGG:C00741 PMID:15654607 PMID:24614328 Reaxys:605398 butane-2,3-dione chebi_ontology 2,3-Butadione 2,3-Butanedione 2,3-Diketobutane 2,3-Dioxobutane 2,3-butandione Biacetyl Diacetyl Dimethyl glyoxal Dimethylglyoxal diacetyl CHEBI:16583 butane-2,3-dione CAS:431-03-8 ChemIDplus CAS:431-03-8 KEGG COMPOUND CAS:431-03-8 NIST Chemistry WebBook PMID:15654607 Europe PMC PMID:24614328 Europe PMC Reaxys:605398 Reaxys butane-2,3-dione IUPAC 2,3-Butadione ChemIDplus 2,3-Butanedione KEGG_COMPOUND 2,3-Diketobutane ChemIDplus 2,3-Dioxobutane ChemIDplus 2,3-butandione NIST_Chemistry_WebBook Biacetyl KEGG_COMPOUND Diacetyl KEGG_COMPOUND Dimethyl glyoxal ChemIDplus Dimethylglyoxal KEGG_COMPOUND diacetyl UniProt 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 ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated. 0 C5H9O6PR2 196.09510 196.01367 O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O CHEBI:14674 CHEBI:25603 CHEBI:7650 KEGG:C01117 Nucleoside 5'-phosphate chebi_ontology nucleoside 5'-phosphates CHEBI:16701 nucleoside 5'-phosphate Nucleoside 5'-phosphate KEGG_COMPOUND nucleoside 5'-phosphates ChEBI The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. 0 C5H5N5 InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N 135.12690 135.05450 Nc1ncnc2[nH]cnc12 CHEBI:13733 CHEBI:22236 CHEBI:2470 CHEBI:40579 CAS:73-24-5 DrugBank:DB00173 Drug_Central:89 Gmelin:3903 HMDB:HMDB0000034 KEGG:C00147 KEGG:D00034 KNApSAcK:C00001490 MetaCyc:ADENINE PDBeChem:ADE PMID:11985597 PMID:12829005 PMID:12951489 PMID:15063338 PMID:15715490 PMID:17439666 PMID:8070089 Reaxys:608603 Wikipedia:Adenine 9H-purin-6-amine ADENINE Adenine adenine chebi_ontology 6-Aminopurine A Ade Adenin CHEBI:16708 adenine CAS:73-24-5 ChemIDplus CAS:73-24-5 KEGG COMPOUND CAS:73-24-5 NIST Chemistry WebBook Drug_Central:89 DrugCentral Gmelin:3903 Gmelin PMID:11985597 Europe PMC PMID:12829005 Europe PMC PMID:12951489 Europe PMC PMID:15063338 Europe PMC PMID:15715490 Europe PMC PMID:17439666 Europe PMC PMID:8070089 Europe PMC Reaxys:608603 Reaxys 9H-purin-6-amine IUPAC ADENINE PDBeChem Adenine KEGG_COMPOUND adenine UniProt 6-Aminopurine KEGG_COMPOUND A ChEBI Ade CBN Adenin NIST_Chemistry_WebBook 0 C2H4NO2R 74.05870 74.02420 N[C@H]([*])C(O)=O CHEBI:12909 CHEBI:13625 CHEBI:20906 CHEBI:4097 KEGG:C00405 D-alpha-amino acid D-alpha-amino acids chebi_ontology D-Amino acid D-alpha-amino acids CHEBI:16733 D-alpha-amino acid D-alpha-amino acid ChEBI D-alpha-amino acids IUPAC D-Amino acid KEGG_COMPOUND D-alpha-amino acids ChEBI Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001. chebi_ontology glycans CHEBI:167559 glycan glycans ChEBI An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. 0 C10H12N2 InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N 160.21570 160.10005 NCCc1c[nH]c2ccccc12 CHEBI:15274 CHEBI:27161 CHEBI:46157 CHEBI:9767 CAS:61-54-1 DrugBank:DB08653 Gmelin:603448 HMDB:HMDB0000303 KEGG:C00398 KNApSAcK:C00001434 MetaCyc:TRYPTAMINE PDBeChem:TSS PMID:16126914 PMID:22770225 PMID:24345948 PMID:24558969 Reaxys:125513 Wikipedia:Tryptamine 2-(1H-indol-3-yl)ethanamine Tryptamine chebi_ontology 1H-indole-3-ethanamine 2-(1H-INDOL-3-YL)ETHANAMINE 2-(3-indolyl)ethylamine 3-(2-Aminoethyl)indole CHEBI:16765 tryptamine CAS:61-54-1 ChemIDplus CAS:61-54-1 KEGG COMPOUND CAS:61-54-1 NIST Chemistry WebBook Gmelin:603448 Gmelin PMID:16126914 Europe PMC PMID:22770225 Europe PMC PMID:24345948 Europe PMC PMID:24558969 Europe PMC Reaxys:125513 Reaxys 2-(1H-indol-3-yl)ethanamine IUPAC Tryptamine KEGG_COMPOUND 1H-indole-3-ethanamine NIST_Chemistry_WebBook 2-(1H-INDOL-3-YL)ETHANAMINE PDBeChem 2-(3-indolyl)ethylamine ChemIDplus 3-(2-Aminoethyl)indole KEGG_COMPOUND A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. 0 C10H17N3O6S InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-N 307.320 307.08381 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O CHEBI:12402 CHEBI:14327 CHEBI:24334 CHEBI:42873 CHEBI:43049 CHEBI:5437 CAS:70-18-8 Chemspider:111188 DrugBank:DB00143 Drug_Central:1312 FooDB:FDB001498 HMDB:HMDB0000125 KEGG:C00051 KEGG:D00014 KNApSAcK:C00001518 MetaCyc:GLUTATHIONE PDBeChem:GSH PMID:10577998 PMID:1362956 PMID:14988435 PMID:16112416 PMID:16316931 PMID:16391576 PMID:16404476 PMID:16621738 PMID:16650398 PMID:16780237 PMID:16877380 PMID:17439666 PMID:19580823 PMID:4200890 PMID:4745654 PMID:8207209 Reaxys:1729812 Wikipedia:Glutathione Glutathione L-gamma-glutamyl-L-cysteinylglycine chebi_ontology 5-L-Glutamyl-L-cysteinylglycine GSH Glutathione-SH N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine Reduced glutathione gamma-L-Glutamyl-L-cysteinyl-glycine CHEBI:16856 glutathione CAS:70-18-8 ChemIDplus CAS:70-18-8 KEGG COMPOUND Drug_Central:1312 DrugCentral PMID:10577998 Europe PMC PMID:1362956 Europe PMC PMID:14988435 Europe PMC PMID:16112416 Europe PMC PMID:16316931 Europe PMC PMID:16391576 Europe PMC PMID:16404476 Europe PMC PMID:16621738 Europe PMC PMID:16650398 Europe PMC PMID:16780237 Europe PMC PMID:16877380 Europe PMC PMID:17439666 Europe PMC PMID:19580823 Europe PMC PMID:4200890 Europe PMC PMID:4745654 Europe PMC PMID:8207209 Europe PMC Reaxys:1729812 Reaxys Glutathione KEGG_COMPOUND L-gamma-glutamyl-L-cysteinylglycine IUPAC 5-L-Glutamyl-L-cysteinylglycine KEGG_COMPOUND GSH KEGG_COMPOUND Glutathione-SH HMDB N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine KEGG_COMPOUND Reduced glutathione KEGG_COMPOUND gamma-L-Glutamyl-L-cysteinyl-glycine KEGG_COMPOUND A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. 0 C4H9NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N 103.11980 103.06333 NCCCC(O)=O CHEBI:1786 CHEBI:193777 CHEBI:20318 CHEBI:40483 BPDB:2298 CAS:56-12-2 DrugBank:DB02530 Drug_Central:1262 Gmelin:49775 HMDB:HMDB0000112 KEGG:C00334 KEGG:D00058 KNApSAcK:C00001337 LIPID_MAPS_instance:LMFA01100039 MetaCyc:4-AMINO-BUTYRATE PDBeChem:ABU PMID:10630630 PMID:10930630 PMID:16276116 PMID:21614609 PMID:22770225 Reaxys:906818 Wikipedia:Gamma-Aminobutyric_acid 4-aminobutanoic acid gamma-Aminobutyric acid gamma-aminobutyric acid chebi_ontology 4-Aminobutanoic acid 4-Aminobutyric acid 4-aminobutanoic acid 4-aminobutyric acid 4Abu GABA GAMMA-AMINO-BUTANOIC ACID gamma-Aminobuttersaeure gamma-amino-n-butyric acid gamma-aminobutanoic acid omega-aminobutyric acid piperidic acid piperidinic acid CHEBI:16865 gamma-aminobutyric acid CAS:56-12-2 ChemIDplus CAS:56-12-2 KEGG COMPOUND CAS:56-12-2 NIST Chemistry WebBook Drug_Central:1262 DrugCentral Gmelin:49775 Gmelin LIPID_MAPS_instance:LMFA01100039 LIPID MAPS PMID:10630630 Europe PMC PMID:10930630 Europe PMC PMID:16276116 Europe PMC PMID:21614609 Europe PMC PMID:22770225 Europe PMC Reaxys:906818 Reaxys 4-aminobutanoic acid IUPAC gamma-Aminobutyric acid KEGG_COMPOUND gamma-aminobutyric acid NIST_Chemistry_WebBook 4-Aminobutanoic acid KEGG_COMPOUND 4-Aminobutyric acid KEGG_COMPOUND 4-aminobutanoic acid ChEBI 4-aminobutyric acid ChEBI 4Abu ChEBI GABA IUPHAR GABA KEGG_COMPOUND GAMMA-AMINO-BUTANOIC ACID PDBeChem gamma-Aminobuttersaeure NIST_Chemistry_WebBook gamma-amino-n-butyric acid NIST_Chemistry_WebBook gamma-aminobutanoic acid NIST_Chemistry_WebBook omega-aminobutyric acid NIST_Chemistry_WebBook piperidic acid ChemIDplus piperidinic acid ChemIDplus A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde. 0 C5H10O5 150.12990 150.05282 CHEBI:13011 CHEBI:21078 DrugBank:DB01936 PMID:24404872 PMID:24752650 D-ribo-pentose D-ribose chebi_ontology D-Rib CHEBI:16988 D-ribose PMID:24404872 Europe PMC PMID:24752650 Europe PMC D-ribo-pentose IUPAC D-ribose IUPAC D-Rib JCBN -1 F InChI=1S/FH/h1H/p-1 KRHYYFGTRYWZRS-UHFFFAOYSA-M 18.99840 18.99895 [F-] CHEBI:14271 CHEBI:49593 CHEBI:5113 CAS:16984-48-8 Gmelin:14905 KEGG:C00742 PDBeChem:F Fluoride fluoride fluoride(1-) chebi_ontology F(-) F- FLUORIDE ION Fluoride ion Fluorine anion CHEBI:17051 fluoride CAS:16984-48-8 ChemIDplus CAS:16984-48-8 NIST Chemistry WebBook Gmelin:14905 Gmelin Fluoride KEGG_COMPOUND fluoride IUPAC fluoride UniProt fluoride(1-) IUPAC F(-) IUPAC F- KEGG_COMPOUND FLUORIDE ION PDBeChem Fluoride ion KEGG_COMPOUND Fluorine anion NIST_Chemistry_WebBook 0 CH4NR 30.04920 30.03437 NC[*] CHEBI:13431 CHEBI:8749 KEGG:C00375 chebi_ontology RCH2NH2 primary aliphatic amines CHEBI:17062 primary aliphatic amine RCH2NH2 ChEBI RCH2NH2 KEGG_COMPOUND primary aliphatic amines ChEBI A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). 0 COR2 28.010 27.99491 [*]C([*])=O CHEBI:13427 CHEBI:13646 CHEBI:24974 CHEBI:6127 CHEBI:8742 KEGG:C01450 Wikipedia:Ketone Ketone ketones chebi_ontology Keton R-CO-R' a ketone cetone ketones CHEBI:17087 ketone Ketone KEGG_COMPOUND ketones IUPAC Keton ChEBI R-CO-R' KEGG_COMPOUND a ketone UniProt cetone ChEBI ketones ChEBI A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). -1 C6H11O2 InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1 FUZZWVXGSFPDMH-UHFFFAOYSA-M 115.15034 115.07645 CCCCCC([O-])=O CHEBI:14398 CHEBI:24569 Beilstein:3601453 CAS:151-33-7 ECMDB:ECMDB21229 Gmelin:326340 KEGG:C01585 MetaCyc:HEXANOATE hexanoate chebi_ontology 1-hexanoate 1-pentacarboxylate 1-pentanecarboxylate CH3-[CH2]4-COO(-) butylacetate caproate capronate hexoate hexylate n-caproate n-hexanoate n-hexoate n-hexylate nPnCO2 anion pentanecarboxylate pentylformate CHEBI:17120 hexanoate Beilstein:3601453 Beilstein CAS:151-33-7 Beilstein Gmelin:326340 Gmelin hexanoate IUPAC hexanoate UniProt 1-hexanoate ChEBI 1-pentacarboxylate ChEBI 1-pentanecarboxylate ChEBI CH3-[CH2]4-COO(-) IUPAC butylacetate ChEBI caproate ChEBI capronate ChEBI hexoate ChEBI hexylate ChEBI n-caproate ChEBI n-hexanoate ChEBI n-hexoate ChEBI n-hexylate ChEBI nPnCO2 anion NIST_Chemistry_WebBook pentanecarboxylate ChEBI pentylformate ChEBI A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates. 0 C8H11NO2 InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 QHGUCRYDKWKLMG-UHFFFAOYSA-N 153.17848 153.07898 NCC(O)c1ccc(O)cc1 CHEBI:11191 CHEBI:25655 CHEBI:571 Beilstein:1211019 CAS:104-14-3 Drug_Central:3396 KEGG:C04227 LINCS:LSM-4975 4-(2-amino-1-hydroxyethyl)phenol Octopamine chebi_ontology 1-(4-Hydroxyphenyl)-2-aminoethanol 1-(p-hydroxyphenyl)-2-aminoethanol Octopamin alpha-(aminomethyl)-4-hydroxybenzenemethanol alpha-(aminomethyl)-p-hydroxybenzyl alcohol beta-hydroxytyramine norsynephrine octopaminum p-Hydroxyphenylethanolamine CHEBI:17134 octopamine Beilstein:1211019 ChemIDplus CAS:104-14-3 ChemIDplus CAS:104-14-3 KEGG COMPOUND Drug_Central:3396 DrugCentral 4-(2-amino-1-hydroxyethyl)phenol IUPAC Octopamine KEGG_COMPOUND 1-(4-Hydroxyphenyl)-2-aminoethanol KEGG_COMPOUND 1-(p-hydroxyphenyl)-2-aminoethanol ChemIDplus Octopamin ChEBI alpha-(aminomethyl)-4-hydroxybenzenemethanol ChemIDplus alpha-(aminomethyl)-p-hydroxybenzyl alcohol ChemIDplus beta-hydroxytyramine ChEBI norsynephrine ChemIDplus octopaminum ChemIDplus p-Hydroxyphenylethanolamine KEGG_COMPOUND -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 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 The 7H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11222 120.04360 c1ncc2[nH]cnc2n1 CHEBI:14968 CHEBI:8639 Gmelin:601779 HMDB:HMDB0001366 KEGG:C15587 Reaxys:3200 7H-purine chebi_ontology Purine Purine base CHEBI:17258 7H-purine Gmelin:601779 Gmelin Reaxys:3200 Reaxys 7H-purine IUPAC Purine KEGG_COMPOUND Purine base KEGG_COMPOUND 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 0 C5H12O13P3R 373.063 372.94908 [C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)(O)O)(=O)O)(=O)O CHEBI:13411 CHEBI:14677 CHEBI:25610 CHEBI:7442 CHEBI:7655 KEGG:C00201 chebi_ontology NTP Nucleoside triphosphate nucleoside triphosphates CHEBI:17326 nucleoside 5'-triphoshate NTP KEGG_COMPOUND Nucleoside triphosphate KEGG_COMPOUND nucleoside triphosphates 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 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 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 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 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 An optically active form of cysteine having L-configuration. 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N 121.15800 121.01975 N[C@@H](CS)C(O)=O CHEBI:13095 CHEBI:21261 CHEBI:41227 CHEBI:41700 CHEBI:41768 CHEBI:41781 CHEBI:41811 CHEBI:6207 CAS:52-90-4 DrugBank:DB00151 Drug_Central:769 ECMDB:ECMDB00574 Gmelin:49991 HMDB:HMDB0000574 KEGG:C00097 KEGG:D00026 KNApSAcK:C00001351 MetaCyc:CYS PDBeChem:CYS PMID:11732994 PMID:13761469 PMID:22735334 Reaxys:1721408 Wikipedia:Cysteine YMDB:YMDB00046 L-Cysteine L-cysteine chebi_ontology (2R)-2-amino-3-mercaptopropanoic acid (2R)-2-amino-3-sulfanylpropanoic acid (R)-2-amino-3-mercaptopropanoic acid C CYSTEINE Cys E 920 E-920 E920 FREE CYSTEINE L-2-Amino-3-mercaptopropionic acid L-Cystein L-Zystein CHEBI:17561 L-cysteine CAS:52-90-4 ChemIDplus CAS:52-90-4 KEGG COMPOUND CAS:52-90-4 NIST Chemistry WebBook Drug_Central:769 DrugCentral Gmelin:49991 Gmelin PMID:11732994 Europe PMC PMID:13761469 Europe PMC PMID:22735334 Europe PMC Reaxys:1721408 Reaxys L-Cysteine KEGG_COMPOUND L-cysteine IUPAC (2R)-2-amino-3-mercaptopropanoic acid JCBN (2R)-2-amino-3-sulfanylpropanoic acid IUPAC (R)-2-amino-3-mercaptopropanoic acid NIST_Chemistry_WebBook C ChEBI CYSTEINE PDBeChem Cys ChEBI E 920 ChEBI E-920 ChEBI E920 ChEBI FREE CYSTEINE PDBeChem L-2-Amino-3-mercaptopropionic acid KEGG_COMPOUND L-Cystein ChEBI L-Zystein ChEBI 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 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 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 A straight chain alkane composed of 8 carbon atoms. 0 C8H18 InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 TVMXDCGIABBOFY-UHFFFAOYSA-N 114.22852 114.14085 CCCCCCCC CHEBI:14680 CHEBI:25465 CHEBI:25645 CHEBI:44621 CHEBI:7723 CAS:111-65-9 DrugBank:DB02440 Gmelin:82412 HMDB:HMDB0001485 KEGG:C01387 LIPID_MAPS_instance:LMFA11000002 MetaCyc:CPD-148 PDBeChem:OCT PMID:11255151 PMID:24354334 Reaxys:1696875 UM-BBD_compID:c0044 Wikipedia:Octane Octane octane chebi_ontology CH3-[CH2]6-CH3 N-OCTANE Oktan n-Octane n-Oktan CHEBI:17590 octane CAS:111-65-9 ChemIDplus CAS:111-65-9 KEGG COMPOUND CAS:111-65-9 NIST Chemistry WebBook Gmelin:82412 Gmelin LIPID_MAPS_instance:LMFA11000002 LIPID MAPS PMID:11255151 Europe PMC PMID:24354334 Europe PMC Reaxys:1696875 Reaxys UM-BBD_compID:c0044 UM-BBD Octane KEGG_COMPOUND octane IUPAC octane UniProt CH3-[CH2]6-CH3 IUPAC N-OCTANE PDBeChem Oktan NIST_Chemistry_WebBook n-Octane KEGG_COMPOUND n-Oktan ChEBI 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 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. 0 C10H14N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-N 162.236 162.11570 [H][C@]1(CCCN1C)C1=CC=CN=C1 CHEBI:14653 CHEBI:25536 CHEBI:44268 CHEBI:7562 BPDB:485 Beilstein:3604351 CAS:54-11-5 DrugBank:DB00184 Drug_Central:1920 HMDB:HMDB0001934 KEGG:C00745 KEGG:D03365 KNApSAcK:C00002057 LINCS:LSM-2093 MetaCyc:NICOTINE PDBeChem:NCT PMID:11209966 PMID:11322615 PMID:11406005 PMID:11719700 PMID:11768184 PMID:11821649 PMID:11851194 PMID:12575980 PMID:12692774 PMID:12769614 PMID:12850578 PMID:12971663 PMID:13590907 PMID:14674846 PMID:14761239 PMID:14975706 PMID:15019421 PMID:15027713 PMID:15251917 PMID:15276225 PMID:15380834 PMID:15502843 PMID:15527885 PMID:15707677 PMID:15734728 PMID:15826609 PMID:15894687 PMID:15902919 PMID:15960296 PMID:15963341 PMID:16059663 PMID:16212709 PMID:16333621 PMID:16370520 PMID:16496293 PMID:17023324 PMID:17206646 PMID:17292347 PMID:17350101 PMID:17498763 PMID:17504235 PMID:17525204 PMID:17560039 PMID:17683794 PMID:18380035 PMID:18383130 PMID:18490768 PMID:18683238 PMID:18685152 PMID:18805442 PMID:18922921 PMID:19100291 PMID:19100331 PMID:19287496 PMID:19389046 PMID:19448649 PMID:19465085 PMID:19850423 PMID:19954906 PMID:21521420 PMID:21636612 PMID:21822688 PMID:21945235 PMID:21947355 PMID:22030716 PMID:22129149 PMID:22218403 PMID:22265518 PMID:22331007 PMID:22377934 PMID:22459798 PMID:22529223 PMID:22530136 PMID:27951416 PMID:28187919 PMID:28391535 PMID:28574230 PMID:28641297 PMID:28678400 PMID:28683421 PMID:28686840 PMID:28698187 PMID:28700952 PMID:28704277 PMID:28710519 PMID:28711472 PMID:28714396 PMID:28718768 PMID:28718828 PMID:28726253 PMID:28735272 Reaxys:82109 Wikipedia:Nicotine (S)-Nicotine (S)-nicotine 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine chebi_ontology (-)-3-(1-Methyl-2-pyrrolidyl)pyridine (-)-3-(N-Methylpyrrolidino)pyridine (-)-nicotine (R)-3-(1-Methyl-2-pyrrolidinyl)pyridine (S)-(-)-nicotine (S)-3-(1-methylpyrrolidin-2-yl)pyridine (S)-3-(N-methylpyrrolidin-2-yl)pyridine 1-Methyl-2-(3-pyridyl)pyrrolidine 3-(1-Methyl-2-pyrollidinyl)pyridine 3-(1-Methylpyrrolidin-2-yl)pyridine 3-(2-(N-methylpyrrolidinyl))pyridine 3-(N-methylpyrollidino)pyridine L(-)-nicotine L-3-(1-Methyl-2-pyrrolidyl)pyridine L-Nicotine Nicotine CHEBI:17688 (S)-nicotine Beilstein:3604351 Beilstein CAS:54-11-5 ChemIDplus CAS:54-11-5 KEGG COMPOUND CAS:54-11-5 NIST Chemistry WebBook Drug_Central:1920 DrugCentral PMID:11209966 Europe PMC PMID:11322615 Europe PMC PMID:11406005 Europe PMC PMID:11719700 Europe PMC PMID:11768184 Europe PMC PMID:11821649 Europe PMC PMID:11851194 Europe PMC PMID:12575980 Europe PMC PMID:12692774 Europe PMC PMID:12769614 Europe PMC PMID:12850578 Europe PMC PMID:12971663 Europe PMC PMID:13590907 Europe PMC PMID:14674846 Europe PMC PMID:14761239 Europe PMC PMID:14975706 Europe PMC PMID:15019421 Europe PMC PMID:15027713 Europe PMC PMID:15251917 Europe PMC PMID:15276225 Europe PMC PMID:15380834 Europe PMC PMID:15502843 Europe PMC PMID:15527885 Europe PMC PMID:15707677 Europe PMC PMID:15734728 Europe PMC PMID:15826609 Europe PMC PMID:15894687 Europe PMC PMID:15902919 Europe PMC PMID:15960296 Europe PMC PMID:15963341 Europe PMC PMID:16059663 Europe PMC PMID:16212709 Europe PMC PMID:16333621 Europe PMC PMID:16370520 Europe PMC PMID:16496293 Europe PMC PMID:17023324 Europe PMC PMID:17206646 Europe PMC PMID:17292347 Europe PMC PMID:17350101 Europe PMC PMID:17498763 Europe PMC PMID:17504235 Europe PMC PMID:17525204 Europe PMC PMID:17560039 Europe PMC PMID:17683794 Europe PMC PMID:18380035 Europe PMC PMID:18383130 Europe PMC PMID:18490768 Europe PMC PMID:18683238 Europe PMC PMID:18685152 Europe PMC PMID:18805442 Europe PMC PMID:18922921 Europe PMC PMID:19100291 Europe PMC PMID:19100331 Europe PMC PMID:19287496 Europe PMC PMID:19389046 Europe PMC PMID:19448649 Europe PMC PMID:19465085 Europe PMC PMID:19850423 Europe PMC PMID:19954906 Europe PMC PMID:21521420 Europe PMC PMID:21636612 Europe PMC PMID:21822688 Europe PMC PMID:21945235 Europe PMC PMID:21947355 Europe PMC PMID:22030716 Europe PMC PMID:22129149 Europe PMC PMID:22218403 Europe PMC PMID:22265518 Europe PMC PMID:22331007 Europe PMC PMID:22377934 Europe PMC PMID:22459798 Europe PMC PMID:22529223 Europe PMC PMID:22530136 Europe PMC PMID:27951416 Europe PMC PMID:28187919 Europe PMC PMID:28391535 Europe PMC PMID:28574230 Europe PMC PMID:28641297 Europe PMC PMID:28678400 Europe PMC PMID:28683421 Europe PMC PMID:28686840 Europe PMC PMID:28698187 Europe PMC PMID:28700952 Europe PMC PMID:28704277 Europe PMC PMID:28710519 Europe PMC PMID:28711472 Europe PMC PMID:28714396 Europe PMC PMID:28718768 Europe PMC PMID:28718828 Europe PMC PMID:28726253 Europe PMC PMID:28735272 Europe PMC Reaxys:82109 Reaxys (S)-Nicotine KEGG_COMPOUND (S)-nicotine ChemIDplus 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine IUPAC (-)-3-(1-Methyl-2-pyrrolidyl)pyridine HMDB (-)-3-(N-Methylpyrrolidino)pyridine HMDB (-)-nicotine ChemIDplus (R)-3-(1-Methyl-2-pyrrolidinyl)pyridine HMDB (S)-(-)-nicotine NIST_Chemistry_WebBook (S)-3-(1-methylpyrrolidin-2-yl)pyridine KEGG_COMPOUND (S)-3-(N-methylpyrrolidin-2-yl)pyridine IUBMB 1-Methyl-2-(3-pyridyl)pyrrolidine HMDB 3-(1-Methyl-2-pyrollidinyl)pyridine HMDB 3-(1-Methylpyrrolidin-2-yl)pyridine HMDB 3-(2-(N-methylpyrrolidinyl))pyridine NIST_Chemistry_WebBook 3-(N-methylpyrollidino)pyridine NIST_Chemistry_WebBook L(-)-nicotine IUBMB L-3-(1-Methyl-2-pyrrolidyl)pyridine HMDB L-Nicotine HMDB Nicotine HMDB Nicotine KEGG_COMPOUND A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. 0 C3H8O3 InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 PEDCQBHIVMGVHV-UHFFFAOYSA-N 92.09382 92.04734 OCC(O)CO CHEBI:131422 CHEBI:14334 CHEBI:24351 CHEBI:42998 CHEBI:5448 CAS:56-81-5 Chemspider:733 DrugBank:DB04077 Drug_Central:1316 ECMDB:ECMDB00131 FooDB:FDB000756 Gmelin:26279 HMDB:HMDB0000131 KEGG:C00116 KEGG:D00028 KNApSAcK:C00001163 LINCS:LSM-37180 MetaCyc:GLYCEROL PDB:2AJS PDB:2D03 PDBeChem:GOL PMID:11302662 PMID:11958517 PMID:11994365 PMID:12672239 PMID:12687625 PMID:12689633 PMID:12713573 PMID:14559393 PMID:14563847 PMID:15026783 PMID:15342117 PMID:15786693 PMID:15983192 PMID:16244855 PMID:16258193 PMID:16319039 PMID:16349488 PMID:16475911 PMID:16651733 PMID:16664750 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17979222 PMID:19184438 PMID:19231894 PMID:19460032 PMID:19548674 PMID:19795216 PMID:19956799 PMID:22705534 PMID:23562176 PMID:23747440 PMID:24643482 PMID:24835191 PMID:25108762 PMID:558160 PMID:6299616 PMID:7031247 PMID:7392035 PPDB:1317 Reaxys:635685 UM-BBD_compID:c0066 Wikipedia:Glycerol YMDB:YMDB00283 GLYCEROL Glycerol glycerol propane-1,2,3-triol chebi_ontology 1,2,3-Propanetriol 1,2,3-Trihydroxypropane Glycerin Glyceritol Glyzerin Gro Oelsuess Propanetriol Trihydroxypropane glycerine glycerol glycerolum glycyl alcohol CHEBI:17754 glycerol CAS:56-81-5 ChemIDplus CAS:56-81-5 KEGG COMPOUND CAS:56-81-5 NIST Chemistry WebBook Drug_Central:1316 DrugCentral Gmelin:26279 Gmelin PMID:11302662 Europe PMC PMID:11958517 Europe PMC PMID:11994365 Europe PMC PMID:12672239 ChEMBL PMID:12687625 Europe PMC PMID:12689633 Europe PMC PMID:12713573 Europe PMC PMID:14559393 Europe PMC PMID:14563847 Europe PMC PMID:15026783 Europe PMC PMID:15342117 Europe PMC PMID:15786693 Europe PMC PMID:15983192 Europe PMC PMID:16244855 Europe PMC PMID:16258193 Europe PMC PMID:16319039 Europe PMC PMID:16349488 Europe PMC PMID:16475911 Europe PMC PMID:16651733 Europe PMC PMID:16664750 Europe PMC PMID:16901854 Europe PMC PMID:17336832 Europe PMC PMID:17439666 Europe PMC PMID:17979222 Europe PMC PMID:19184438 Europe PMC PMID:19231894 Europe PMC PMID:19460032 Europe PMC PMID:19548674 Europe PMC PMID:19795216 Europe PMC PMID:19956799 Europe PMC PMID:22705534 Europe PMC PMID:23562176 Europe PMC PMID:23747440 Europe PMC PMID:24643482 Europe PMC PMID:24835191 Europe PMC PMID:25108762 Europe PMC PMID:558160 Europe PMC PMID:6299616 Europe PMC PMID:7031247 ChEMBL PMID:7392035 ChEMBL Reaxys:635685 Reaxys UM-BBD_compID:c0066 UM-BBD GLYCEROL PDBeChem Glycerol KEGG_COMPOUND glycerol ChEBI glycerol UniProt propane-1,2,3-triol IUPAC 1,2,3-Propanetriol KEGG_COMPOUND 1,2,3-Trihydroxypropane KEGG_COMPOUND Glycerin KEGG_COMPOUND Glyceritol HMDB Glyzerin ChEBI Gro JCBN Oelsuess ChEBI Propanetriol HMDB Trihydroxypropane HMDB glycerine ChEBI glycerol ChemIDplus glycerolum ChemIDplus glycyl alcohol NIST_Chemistry_WebBook 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 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 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 A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. 0 ClH HCl InChI=1S/ClH/h1H VEXZGXHMUGYJMC-UHFFFAOYSA-N 36.46064 35.97668 Cl[H] CHEBI:13364 CHEBI:24635 CHEBI:5590 CAS:7647-01-0 Drug_Central:4568 Gmelin:322 HMDB:HMDB0002306 KEGG:C01327 KEGG:D02057 MetaCyc:HCL PMID:15823700 PMID:17492841 PMID:22804993 Reaxys:1098214 Wikipedia:HCl Wikipedia:Hydrochloric_acid Hydrogen chloride chlorane chloridohydrogen hydrogen chloride chebi_ontology Chlorwasserstoff HCl Hydrochloride Hydrogenchlorid Wasserstoffchlorid [HCl] chlorure d'hydrogene cloruro de hidrogeno hydrochloric acid CHEBI:17883 hydrogen chloride CAS:7647-01-0 ChemIDplus CAS:7647-01-0 KEGG COMPOUND CAS:7647-01-0 NIST Chemistry WebBook Drug_Central:4568 DrugCentral Gmelin:322 Gmelin PMID:15823700 Europe PMC PMID:17492841 Europe PMC PMID:22804993 Europe PMC Reaxys:1098214 Reaxys Hydrogen chloride KEGG_COMPOUND chlorane IUPAC chloridohydrogen IUPAC hydrogen chloride IUPAC Chlorwasserstoff ChEBI HCl KEGG_COMPOUND Hydrochloride KEGG_COMPOUND Hydrogenchlorid ChEBI Wasserstoffchlorid ChEBI [HCl] IUPAC chlorure d'hydrogene ChEBI cloruro de hidrogeno ChEBI hydrochloric acid ChemIDplus A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity. CHEBI:14202 CHEBI:4697 KEGG:C01351 Donor chebi_ontology Donator donneur CHEBI:17891 donor Donor KEGG_COMPOUND Donator ChEBI donneur ChEBI A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. -1 C4H7O2 InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 FERIUCNNQQJTOY-UHFFFAOYSA-M 87.09718 87.04515 CCCC([O-])=O CHEBI:13924 CHEBI:22946 CAS:461-55-2 Gmelin:324289 KEGG:C00246 MetaCyc:BUTYRIC_ACID PMID:17190852 PMID:7496326 Reaxys:3601060 UM-BBD_compID:c0035 butanoate butyrate chebi_ontology 1-butanoate 1-butyrate 1-propanecarboxylate CH3-[CH2]2-COO(-) butanate butanoate butanoic acid, ion(1-) n-butanoate n-butyrate propanecarboxylate propylformate CHEBI:17968 butyrate CAS:461-55-2 ChemIDplus Gmelin:324289 Gmelin PMID:17190852 Europe PMC PMID:7496326 Europe PMC Reaxys:3601060 Reaxys UM-BBD_compID:c0035 UM-BBD butanoate IUPAC butyrate IUPAC 1-butanoate ChEBI 1-butyrate ChEBI 1-propanecarboxylate ChEBI CH3-[CH2]2-COO(-) IUPAC butanate ChEBI butanoate ChEBI butanoate UniProt butanoic acid, ion(1-) ChemIDplus n-butanoate ChEBI n-butyrate ChemIDplus propanecarboxylate ChEBI propylformate ChEBI 0 C5H12O13P3R 373.063 372.94908 CHEBI:15047 CHEBI:26559 CHEBI:8846 KEGG:C03802 Ribonucleoside triphosphate chebi_ontology ribonucleoside triphosphates CHEBI:17972 ribonucleoside triphosphate Ribonucleoside triphosphate KEGG_COMPOUND ribonucleoside triphosphates ChEBI A halide anion formed when chlorine picks up an electron to form an an anion. -1 Cl InChI=1S/ClH/h1H/p-1 VEXZGXHMUGYJMC-UHFFFAOYSA-M 35.45270 34.96940 [Cl-] CHEBI:13291 CHEBI:13970 CHEBI:3616 CHEBI:3731 CHEBI:48804 Beilstein:3587171 CAS:16887-00-6 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 An alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols. 0 C6H12O InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 HPXRVTGHNJAIIH-UHFFFAOYSA-N 100.15888 100.08882 OC1CCCCC1 CHEBI:14051 CHEBI:23471 CHEBI:4013 CHEBI:41739 CAS:108-93-0 DrugBank:DB03703 KEGG:C00854 MetaCyc:CYCLOHEXANOL PDBeChem:CXL PMID:11682644 PMID:23825601 Reaxys:906744 UM-BBD_compID:c0175 Wikipedia:Cyclohexanol Cyclohexanol cyclohexanol chebi_ontology 1-Cyclohexanol Cyclohexan-1-ol Cyclohexyl alcohol Hexahydrophenol Hexalin Hydrophenol Hydroxycyclohexane CHEBI:18099 cyclohexanol CAS:108-93-0 ChemIDplus CAS:108-93-0 KEGG COMPOUND CAS:108-93-0 NIST Chemistry WebBook PMID:11682644 Europe PMC PMID:23825601 Europe PMC Reaxys:906744 Reaxys UM-BBD_compID:c0175 UM-BBD Cyclohexanol KEGG_COMPOUND cyclohexanol IUPAC cyclohexanol UniProt 1-Cyclohexanol ChemIDplus Cyclohexan-1-ol KEGG_COMPOUND Cyclohexyl alcohol ChemIDplus Hexahydrophenol KEGG_COMPOUND Hexalin KEGG_COMPOUND Hydrophenol NIST_Chemistry_WebBook Hydroxycyclohexane ChemIDplus 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 Any phosphatidylinositol that is phosphorylated at one or more of the hydroxy groups of inositol. CHEBI:14806 CHEBI:60751 CHEBI:8132 PMID:10782093 PMID:15269334 PMID:17035995 PMID:19154715 chebi_ontology CHEBI:18179 phosphoinositide PMID:10782093 Europe PMC PMID:15269334 Europe PMC PMID:17035995 Europe PMC PMID:19154715 Europe PMC Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. 0 C8H11NO2 InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N 153.17840 153.07898 NCCc1ccc(O)c(O)c1 CHEBI:11695 CHEBI:11930 CHEBI:14203 CHEBI:1764 CHEBI:23886 CHEBI:43686 CAS:51-61-6 DrugBank:DB00988 Drug_Central:947 HMDB:HMDB0000073 KEGG:C03758 KEGG:D07870 KNApSAcK:C00001408 LINCS:LSM-4630 MetaCyc:DOPAMINE PMID:10629745 PMID:11149432 PMID:9422813 Reaxys:1072822 Wikipedia:Dopamine 4-(2-aminoethyl)benzene-1,2-diol Dopamine chebi_ontology 2-(3,4-Dihydroxyphenyl)ethylamine 2-(3,4-dihydroxyphenyl)ethylamine 3,4-Dihydroxyphenethylamine 3-Hydroxytyramine 4-(2-Aminoethyl)-1,2-benzenediol 4-(2-Aminoethyl)benzene-1,2-diol 4-(2-aminoethyl)-1,2-benzenediol 4-(2-aminoethyl)catechol 4-(2-aminoethyl)pyrocatechol Deoxyepinephrine Hydroxytyramin dopamina dopamine dopaminum CHEBI:18243 dopamine CAS:51-61-6 ChemIDplus Drug_Central:947 DrugCentral PMID:10629745 Europe PMC PMID:11149432 Europe PMC PMID:9422813 Europe PMC Reaxys:1072822 Reaxys 4-(2-aminoethyl)benzene-1,2-diol IUPAC Dopamine KEGG_COMPOUND 2-(3,4-Dihydroxyphenyl)ethylamine KEGG_COMPOUND 2-(3,4-dihydroxyphenyl)ethylamine ChEBI 3,4-Dihydroxyphenethylamine KEGG_COMPOUND 3-Hydroxytyramine ChemIDplus 4-(2-Aminoethyl)-1,2-benzenediol KEGG_COMPOUND 4-(2-Aminoethyl)benzene-1,2-diol KEGG_COMPOUND 4-(2-aminoethyl)-1,2-benzenediol ChEBI 4-(2-aminoethyl)catechol ChemIDplus 4-(2-aminoethyl)pyrocatechol ChemIDplus Deoxyepinephrine DrugBank Hydroxytyramin DrugBank dopamina ChemIDplus dopamine ChEBI dopaminum ChemIDplus An iron group element atom that has atomic number 26. 0 Fe InChI=1S/Fe XEEYBQQBJWHFJM-UHFFFAOYSA-N 55.84500 55.93494 [Fe] CHEBI:13322 CHEBI:24872 CHEBI:5974 CAS:7439-89-6 DrugBank:DB01592 HMDB:HMDB0015531 KEGG:C00023 Reaxys:4122945 WebElements:Fe iron chebi_ontology 26Fe Eisen Fe Iron fer ferrum hierro iron CHEBI:18248 iron atom CAS:7439-89-6 ChemIDplus CAS:7439-89-6 KEGG COMPOUND CAS:7439-89-6 NIST Chemistry WebBook Reaxys:4122945 Reaxys iron IUPAC 26Fe IUPAC Eisen ChEBI Fe IUPAC Fe UniProt Iron KEGG_COMPOUND fer ChEBI ferrum IUPAC hierro ChEBI iron ChEBI Any nucleoside where the sugar component is D-ribose. 0 C5H9O4R 133.123 133.05008 OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O CHEBI:13014 CHEBI:13015 CHEBI:13685 CHEBI:21085 CHEBI:26560 CHEBI:4240 CHEBI:8844 KEGG:C00911 Ribonucleoside chebi_ontology a ribonucleoside ribonucleosides CHEBI:18254 ribonucleoside Ribonucleoside KEGG_COMPOUND a ribonucleoside UniProt ribonucleosides ChEBI 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 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 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-) CAS:14265-44-2 ChemIDplus CAS:14265-44-2 KEGG COMPOUND Gmelin:1997 Gmelin 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 racemate composed of equimolar amounts of (R)- and (S)-nicotine. Beilstein:82111 CAS:22083-74-5 DrugBank:DB00184 HMDB:HMDB0014330 KEGG:C16150 KNApSAcK:C00002057 PMID:10751565 PMID:11192937 PMID:11471991 PMID:11559179 PMID:11682702 PMID:11714820 PMID:11719700 PMID:11801622 PMID:11818389 PMID:11860617 PMID:12197757 PMID:12700710 PMID:12965231 PMID:14715938 PMID:15183514 PMID:15251917 PMID:15313135 PMID:15458549 PMID:15707677 PMID:15894687 PMID:15960296 PMID:15961264 PMID:16496293 PMID:16950410 PMID:17167832 PMID:17206646 PMID:17438652 PMID:17498149 PMID:17942810 PMID:18077004 PMID:18311975 PMID:18380035 PMID:18383130 PMID:18651995 PMID:18922921 PMID:19100331 PMID:19287496 PMID:19389046 PMID:19465085 PMID:20338106 PMID:20528766 PMID:21636612 PMID:21822688 PMID:21945235 PMID:22129149 PMID:22218403 PMID:22331007 PMID:22377934 PMID:22448647 PMID:22459798 PMID:22529223 PMID:22573728 PMID:22585541 PMID:22589423 PMID:22770225 PMID:22792725 PMID:22855884 PMID:22930863 PMID:22935730 PMID:23108361 PMID:23117126 PMID:7097594 PMID:7564279 PMID:7566693 PMID:7807214 PMID:7896575 PMID:8156919 PMID:8545712 PMID:8764340 PMID:9203638 PMID:9450943 PMID:9621392 Reaxys:82108 UM-BBD_compID:c0468 Wikipedia:Nicotine rac-3-(1-methylpyrrolidin-2-yl)pyridine chebi_ontology (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine (+-)-nicotine (R,S)-nicotine (RS)-nicotine nicotin nikotin CHEBI:18723 nicotine Beilstein:82111 Beilstein CAS:22083-74-5 ChemIDplus CAS:22083-74-5 KEGG COMPOUND PMID:10751565 Europe PMC PMID:11192937 Europe PMC PMID:11471991 Europe PMC PMID:11559179 Europe PMC PMID:11682702 Europe PMC PMID:11714820 Europe PMC PMID:11719700 Europe PMC PMID:11801622 Europe PMC PMID:11818389 Europe PMC PMID:11860617 Europe PMC PMID:12197757 Europe PMC PMID:12700710 Europe PMC PMID:12965231 Europe PMC PMID:14715938 Europe PMC PMID:15183514 Europe PMC PMID:15251917 Europe PMC PMID:15313135 Europe PMC PMID:15458549 Europe PMC PMID:15707677 Europe PMC PMID:15894687 Europe PMC PMID:15960296 Europe PMC PMID:15961264 Europe PMC PMID:16496293 Europe PMC PMID:16950410 Europe PMC PMID:17167832 Europe PMC PMID:17206646 Europe PMC PMID:17438652 Europe PMC PMID:17498149 Europe PMC PMID:17942810 Europe PMC PMID:18077004 Europe PMC PMID:18311975 Europe PMC PMID:18380035 Europe PMC PMID:18383130 Europe PMC PMID:18651995 Europe PMC PMID:18922921 Europe PMC PMID:19100331 Europe PMC PMID:19287496 Europe PMC PMID:19389046 Europe PMC PMID:19465085 Europe PMC PMID:20338106 Europe PMC PMID:20528766 Europe PMC PMID:21636612 Europe PMC PMID:21822688 Europe PMC PMID:21945235 Europe PMC PMID:22129149 Europe PMC PMID:22218403 Europe PMC PMID:22331007 Europe PMC PMID:22377934 Europe PMC PMID:22448647 Europe PMC PMID:22459798 Europe PMC PMID:22529223 Europe PMC PMID:22573728 Europe PMC PMID:22585541 Europe PMC PMID:22589423 Europe PMC PMID:22770225 Europe PMC PMID:22792725 Europe PMC PMID:22855884 Europe PMC PMID:22930863 Europe PMC PMID:22935730 Europe PMC PMID:23108361 Europe PMC PMID:23117126 Europe PMC PMID:7097594 Europe PMC PMID:7564279 Europe PMC PMID:7566693 Europe PMC PMID:7807214 Europe PMC PMID:7896575 Europe PMC PMID:8156919 Europe PMC PMID:8545712 Europe PMC PMID:8764340 Europe PMC PMID:9203638 Europe PMC PMID:9450943 Europe PMC PMID:9621392 Europe PMC Reaxys:82108 Reaxys UM-BBD_compID:c0468 UM-BBD rac-3-(1-methylpyrrolidin-2-yl)pyridine IUPAC (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine KEGG_COMPOUND (+-)-nicotine ChemIDplus (R,S)-nicotine ChemIDplus (RS)-nicotine UM-BBD nicotin ChEBI nikotin ChEBI chebi_ontology 11alpha-hydroxy steroids CHEBI:19129 11alpha-hydroxy steroid 11alpha-hydroxy steroids ChEBI The conjugate base of methylcarbamic acid; major microspecies at pH 7.3. -1 C2H4NO2 InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)/p-1 UFEJKYYYVXYMMS-UHFFFAOYSA-M 74.060 74.02475 CNC([O-])=O MetaCyc:CPD-22706 methylcarbamate chebi_ontology N-methyl carbamate N-methylcarbamate CHEBI:193111 methylcarbamate methylcarbamate IUPAC N-methyl carbamate UniProt N-methylcarbamate ChEBI Any agent that interferes with the activity of T-type calcium channels. PMID:30372652 PMID:36738196 Wikipedia:T-type_calcium_channel chebi_ontology T-type calcium channel antagonist T-type calcium channel antagonists T-type calcium channel blockers CHEBI:194338 T-type calcium channel blocker PMID:30372652 Europe PMC PMID:36738196 Europe PMC T-type calcium channel antagonist ChEBI T-type calcium channel antagonists ChEBI T-type calcium channel blockers ChEBI Any fatty alcohol with a chain length between C6 and C12. chebi_ontology medium-chain fatty alcohols CHEBI:197506 medium-chain fatty alcohol medium-chain fatty alcohols ChEBI chebi_ontology 3',5'-cyclic purine nucleotides CHEBI:19834 3',5'-cyclic purine nucleotide 3',5'-cyclic purine nucleotides ChEBI Any aminopurine having the amino substituent at the 2-position. 2-aminopurines chebi_ontology CHEBI:20702 2-aminopurines 2-aminopurines ChEBI Any compound having 6-aminopurine (adenine) as part of its structure. PMID:1646334 PMID:18524423 PMID:7342604 6-aminopurines chebi_ontology CHEBI:20706 6-aminopurines PMID:1646334 Europe PMC PMID:18524423 Europe PMC PMID:7342604 Europe PMC 6-aminopurines ChEBI A 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 chebi_ontology adenosine phosphates CHEBI:22256 adenosine phosphate adenosine phosphates ChEBI Any purine ribonucleoside that is a derivative of adenosine. chebi_ontology CHEBI:22260 adenosines Oximes of aldehydes RCH=NOH. 0 CH2NOR 44.03270 44.01364 [H]C([*])=NO KEGG:C02658 aldoxime aldoximes chebi_ontology aldoximes CHEBI:22307 aldoxime aldoxime ChEBI aldoximes IUPAC aldoximes ChEBI alkaline earth metals chebi_ontology Erdalkalimetall Erdalkalimetalle alkaline earth metal alkaline-earth metal alkaline-earth metals metal alcalino-terreux metal alcalinoterreo metales alcalinoterreos metaux alcalino-terreux CHEBI:22313 alkaline earth metal atom alkaline earth metals IUPAC Erdalkalimetall ChEBI Erdalkalimetalle ChEBI alkaline earth metal ChEBI alkaline-earth metal ChEBI alkaline-earth metals ChEBI metal alcalino-terreux ChEBI metal alcalinoterreo ChEBI metales alcalinoterreos ChEBI metaux alcalino-terreux ChEBI alkali metals chebi_ontology Alkalimetall Alkalimetalle alkali metal metal alcalin metal alcalino metales alcalinos metaux alcalins CHEBI:22314 alkali metal atom alkali metals IUPAC Alkalimetall ChEBI Alkalimetalle ChEBI alkali metal ChEBI metal alcalin ChEBI metal alcalino ChEBI metales alcalinos ChEBI metaux alcalins ChEBI Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids. Wikipedia:Alkaloid Alkaloid alkaloids chebi_ontology Alkaloide alcaloide alcaloides CHEBI:22315 alkaloid Alkaloid ChEBI alkaloids IUPAC Alkaloide ChEBI alcaloide ChEBI alcaloides ChEBI A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom. alkyl group alkyl groups chebi_ontology groupe alkyle grupo alquilo grupos alquilo CHEBI:22323 alkyl group alkyl group IUPAC alkyl groups IUPAC groupe alkyle IUPAC grupo alquilo IUPAC grupos alquilo IUPAC chebi_ontology aliphatic thioether aliphatic thioethers CHEBI:22327 aliphatic sulfide aliphatic thioether ChEBI aliphatic thioethers ChEBI Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. chebi_ontology CHEBI:22333 alkylating agent 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 Any purine having at least one amino substituent. chebi_ontology aminopurines CHEBI:22527 aminopurine aminopurines 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 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 arsenic molecular entity chebi_ontology arsenic compounds arsenic molecular entities CHEBI:22632 arsenic molecular entity arsenic molecular entity ChEBI arsenic compounds ChEBI arsenic molecular entities ChEBI An arsenic oxoanion resulting from the removal of one or more protons from arsenous acid. chebi_ontology arsenite anions arsenite ions CHEBI:22633 arsenite ion arsenite anions ChEBI arsenite ions ChEBI A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). KEGG:C00701 Base base chebi_ontology Base1 Base2 Basen Nucleobase bases CHEBI:22695 base Base ChEBI base ChEBI base IUPAC Base1 KEGG_COMPOUND Base2 KEGG_COMPOUND Basen ChEBI Nucleobase KEGG_COMPOUND bases ChEBI Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof. chebi_ontology CHEBI:22698 benzaldehydes Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. chebi_ontology CHEBI:22712 benzenes chebi_ontology benzopyrroles CHEBI:22728 benzopyrrole benzopyrroles ChEBI Any compound that produces a peak used as reference frequency in the delta chemical shift scale. 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 By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom. Wikipedia:Bisphenol chebi_ontology bisphenols CHEBI:22901 bisphenol bisphenols ChEBI 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 0 Br InChI=1S/Br WKBOTKDWSSQWDR-UHFFFAOYSA-N 79.90400 78.91834 [Br] WebElements:Br bromine chebi_ontology 35Br Br Brom brome bromine bromo bromum CHEBI:22927 bromine atom bromine IUPAC 35Br IUPAC Br ChEBI Brom ChEBI brome ChEBI bromine ChEBI bromo ChEBI bromum ChEBI bromine molecular entity chebi_ontology bromine compounds bromine molecular entities CHEBI:22928 bromine molecular entity bromine molecular entity ChEBI bromine compounds ChEBI bromine molecular entities ChEBI Any ketone that is butane substituted by an oxo group at unspecified position. chebi_ontology butanones CHEBI:22951 butanone butanones ChEBI 0 Cd InChI=1S/Cd BDOSMKKIYDKNTQ-UHFFFAOYSA-N 112.41100 113.90336 [Cd] CAS:7440-43-9 KEGG:C01413 WebElements:Cd cadmium chebi_ontology 48Cd Cd Kadmium cadmio cadmium CHEBI:22977 cadmium atom CAS:7440-43-9 ChemIDplus CAS:7440-43-9 KEGG COMPOUND CAS:7440-43-9 NIST Chemistry WebBook cadmium IUPAC 48Cd IUPAC Cd IUPAC Kadmium NIST_Chemistry_WebBook cadmio ChEBI cadmium ChEBI 0 Ca InChI=1S/Ca OYPRJOBELJOOCE-UHFFFAOYSA-N 40.07800 39.96259 [Ca] CAS:7440-70-2 DrugBank:DB01373 KEGG:C00076 WebElements:Ca calcium chebi_ontology 20Ca Ca Calcium Kalzium calcio calcium CHEBI:22984 calcium atom CAS:7440-70-2 ChemIDplus calcium IUPAC 20Ca IUPAC Ca IUPAC Ca UniProt Calcium KEGG_COMPOUND Kalzium ChEBI calcio ChEBI calcium ChEBI calcium molecular entity chebi_ontology calcium compounds calcium molecular entities CHEBI:22985 calcium molecular entity calcium molecular entity ChEBI calcium compounds ChEBI calcium molecular entities ChEBI Any ester of carbamic acid or its N-substituted derivatives. Wikipedia:Carbamate chebi_ontology carbamate esters carbamates CHEBI:23003 carbamate ester carbamate esters ChEBI carbamates ChEBI The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid. 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 chebi_ontology carbon oxides oxides of carbon CHEBI:23014 carbon oxide carbon oxides ChEBI oxides of carbon 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 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 Major species at pH 7.3. +2 C28H40N2O4 InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/p+2/t17-,20-,23+,24-/m0/s1 DTGZHCFJNDAHEN-OZEXIGSWSA-P 468.637 468.29771 C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)O)OC)CC)OC)OC MetaCyc:CPD-14816 chebi_ontology cephaeline CHEBI:231587 cephaeline(2+) MetaCyc:CPD-14816 SUBMITTER cephaeline UniProt A pentenoate having the double bond at the 2-position. -1 C5H7O2 InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/p-1 YIYBQIKDCADOSF-UHFFFAOYSA-M 99.110 99.04515 [H]C(CC)=CC([O-])=O PMID:28947739 pent-2-enoate chebi_ontology 2-pentenoate CHEBI:231930 pent-2-enoate PMID:28947739 SUBMITTER pent-2-enoate IUPAC pent-2-enoate UniProt 2-pentenoate ChEBI An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Wikipedia:Cofactor_(biochemistry) cofactor cofactors chebi_ontology CHEBI:23357 cofactor cofactor IUPAC cofactors IUPAC An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum. 0 C22H25NO6 InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24) IAKHMKGGTNLKSZ-UHFFFAOYSA-N 399.43704 399.16819 COc1cc2CCC(NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC CAS:54192-66-4 DrugBank:DB01394 HMDB:HMDB0015466 LINCS:LSM-6449 PMID:10680067 PMID:24074178 PMID:7200520 PMID:9819133 Reaxys:2228812 N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide chebi_ontology CHEBI:23359 colchicine CAS:54192-66-4 NIST Chemistry WebBook PMID:10680067 Europe PMC PMID:24074178 Europe PMC PMID:7200520 Europe PMC PMID:9819133 Europe PMC Reaxys:2228812 Reaxys N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide IUPAC Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. molecular entity chebi_ontology entidad molecular entidades moleculares entite moleculaire molecular entities molekulare Entitaet CHEBI:23367 molecular entity molecular entity IUPAC entidad molecular IUPAC entidades moleculares IUPAC entite moleculaire IUPAC molecular entities IUPAC molekulare Entitaet ChEBI copper molecular entity chebi_ontology copper compounds copper molecular entities CHEBI:23377 copper molecular entity copper molecular entity ChEBI copper compounds ChEBI copper molecular entities ChEBI chebi_ontology CHEBI:23423 pseudohalogen oxoacid chebi_ontology cyclic nucleotides CHEBI:23447 cyclic nucleotide cyclic nucleotides ChEBI chebi_ontology Cyclopeptid Zyklopeptid cyclic peptides peptide cyclique peptido ciclico CHEBI:23449 cyclic peptide Cyclopeptid ChEBI Zyklopeptid ChEBI cyclic peptides ChEBI peptide cyclique IUPAC peptido ciclico IUPAC A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom. cyclitols chebi_ontology CHEBI:23451 cyclitol cyclitols IUPAC An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. chebi_ontology CHEBI:23480 cyclohexanols Cyclopentane and its derivatives formed by substitution. chebi_ontology CHEBI:23493 cyclopentanes An alcohol in which one or more hydroxy groups are attached to a cyclopentane skeleton. chebi_ontology CHEBI:23495 cyclopentanols An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues. CHEBI:25309 cysteine derivative chebi_ontology cysteine derivatives CHEBI:23509 cysteine derivative cysteine derivative ChEBI cysteine derivatives ChEBI 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 chebi_ontology CHEBI:237958 ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate 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 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 ethanolamine CHEBI:23981 ethanolamines ethanolamine ChEBI Any primary alcohol based on an ethanol skeleton. chebi_ontology CHEBI:23982 ethanols A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol. 0 C3H8O3S InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3 PLUBXMRUUVWRLT-UHFFFAOYSA-N 124.15900 124.01942 CCOS(C)(=O)=O CAS:62-50-0 KEGG:C19239 PMID:16039156 PMID:19797863 PMID:20102787 PMID:24475756 PMID:24524729 PMID:24531730 PMID:24728647 PMID:6936603 PMID:7285888 Reaxys:773969 Wikipedia:Ethyl_methanesulfonate chebi_ontology EMS ethyl mesylate ethyl methanesulphonate methylsulfonic acid ethyl ester methylsulfonic acid, ethyl ester CHEBI:23994 ethyl methanesulfonate CAS:62-50-0 ChemIDplus CAS:62-50-0 KEGG COMPOUND CAS:62-50-0 NIST Chemistry WebBook PMID:16039156 Europe PMC PMID:19797863 Europe PMC PMID:20102787 Europe PMC PMID:24475756 Europe PMC PMID:24524729 Europe PMC PMID:24531730 Europe PMC PMID:24728647 Europe PMC PMID:6936603 Europe PMC PMID:7285888 Europe PMC Reaxys:773969 Reaxys EMS ChemIDplus ethyl mesylate ChemIDplus ethyl methanesulphonate ChemIDplus methylsulfonic acid ethyl ester ChemIDplus methylsulfonic acid, ethyl ester ChemIDplus An aliphatic alcohol consisting of a chain of 3 to greater than 27 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched. 0 HOR 17.007 17.00274 O[*] LIPID_MAPS_class:LMFA05 MetaCyc:Fatty-Alcohols Wikipedia:Fatty_alcohol fatty alcohol chebi_ontology Fettalkohol Fettalkohole a fatty alcohol alcool gras fatty alcohols CHEBI:24026 fatty alcohol LIPID_MAPS_class:LMFA05 LIPID MAPS fatty alcohol ChEBI Fettalkohol ChEBI Fettalkohole ChEBI a fatty alcohol UniProt alcool gras ChEBI fatty alcohols ChEBI fatty alcohols LIPID_MAPS 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 A haloalkane that is an alkane in which at least one hydrogen atom has been replaced by a fluorine atom. fluoroalkane chebi_ontology fluoroalkanes CHEBI:24067 fluoroalkane fluoroalkane ChEBI fluoroalkanes ChEBI Compounds containing at least one furan ring. chebi_ontology oxacyclopenta-2,4-dienes CHEBI:24129 furans oxacyclopenta-2,4-dienes ChEBI chebi_ontology CHEBI:24384 glycogens 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 A halohydrocarbon that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom. chebi_ontology alkyl halide alkyl halides haloalkanes CHEBI:24469 haloalkane alkyl halide ChEBI alkyl halides ChEBI haloalkanes 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 A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom. chebi_ontology halogenated hydrocarbons halohydrocarbons CHEBI:24472 halohydrocarbon halogenated hydrocarbons ChEBI halohydrocarbons 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 A substance used to destroy plant pests. Wikipedia:Herbicide chebi_ontology Herbizid Unkrautbekaempfungsmittel Unkrautvertilgungsmittel Wildkrautbekaempfungsmittel herbicides CHEBI:24527 herbicide Herbizid ChEBI Unkrautbekaempfungsmittel ChEBI Unkrautvertilgungsmittel ChEBI Wildkrautbekaempfungsmittel ChEBI herbicides ChEBI 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 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 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 Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). chebi_ontology CHEBI:24651 hydroxides A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. 0 ClHO InChI=1S/ClHO/c1-2/h2H QWPPOHNGKGFGJK-UHFFFAOYSA-N 52.46004 51.97159 OCl CAS:7790-92-3 Gmelin:688 PMID:11640916 PMID:12079432 PMID:12215218 PMID:15589368 PMID:7487057 PMID:8072005 chloranol hydroxidochlorine hypochlorous acid chebi_ontology Chlor(I)-saeure HClO HOCl [ClOH] hypochloric acid hypochlorige Saeure CHEBI:24757 hypochlorous acid CAS:7790-92-3 ChemIDplus CAS:7790-92-3 NIST Chemistry WebBook Gmelin:688 Gmelin PMID:11640916 Europe PMC PMID:12079432 Europe PMC PMID:12215218 Europe PMC PMID:15589368 Europe PMC PMID:7487057 Europe PMC PMID:8072005 Europe PMC chloranol IUPAC hydroxidochlorine IUPAC hypochlorous acid IUPAC hypochlorous acid UniProt Chlor(I)-saeure ChEBI HClO IUPAC HOCl IUPAC [ClOH] IUPAC hypochloric acid ChEBI hypochlorige Saeure 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 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 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 chebi_ontology iodide salts iodides CHEBI:24858 iodide salt iodide salts ChEBI iodides 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 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 iron molecular entity chebi_ontology iron compounds iron molecular entities CHEBI:24873 iron molecular entity iron molecular entity ChEBI iron compounds ChEBI iron molecular entities ChEBI 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 Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine. chebi_ontology isoquinoline alkaloids CHEBI:24921 isoquinoline alkaloid isoquinoline alkaloids ChEBI A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives. chebi_ontology CHEBI:24922 isoquinolines 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 0 Pb InChI=1S/Pb WABPQHHGFIMREM-UHFFFAOYSA-N 207.20000 207.97665 [Pb] KEGG:C06696 WebElements:Pb lead chebi_ontology 82Pb Blei Pb lead plomb plomo plumbum CHEBI:25016 lead atom lead IUPAC 82Pb IUPAC Blei ChEBI Pb IUPAC lead ChEBI plomb ChEBI plomo ChEBI plumbum IUPAC A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. 0 C6H14N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N 146.18764 146.10553 NCCCCC(N)C(O)=O CAS:70-54-2 Gmelin:279284 KEGG:C16440 PMID:17439666 PMID:22264337 Reaxys:1616991 Wikipedia:Lysine 2,6-diaminohexanoic acid lysine chebi_ontology K LYS Lysin alpha,epsilon-diaminocaproic acid CHEBI:25094 lysine CAS:70-54-2 ChemIDplus CAS:70-54-2 NIST Chemistry WebBook Gmelin:279284 Gmelin PMID:17439666 Europe PMC PMID:22264337 Europe PMC Reaxys:1616991 Reaxys 2,6-diaminohexanoic acid IUPAC lysine IUPAC K ChEBI LYS ChEBI Lysin ChEBI alpha,epsilon-diaminocaproic acid ChEBI 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 0 Mg InChI=1S/Mg FYYHWMGAXLPEAU-UHFFFAOYSA-N 24.30500 23.98504 [Mg] CAS:7439-95-4 DrugBank:DB01378 Gmelin:16207 KEGG:C00305 WebElements:Mg magnesium chebi_ontology 12Mg Magnesium Mg magnesio magnesium CHEBI:25107 magnesium atom CAS:7439-95-4 ChemIDplus Gmelin:16207 Gmelin magnesium IUPAC 12Mg IUPAC Magnesium ChEBI Mg IUPAC Mg UniProt magnesio ChEBI magnesium ChEBI 0 Hg InChI=1S/Hg QSHDDOUJBYECFT-UHFFFAOYSA-N 200.59000 201.97064 [Hg] CAS:7439-97-6 WebElements:Hg mercury chebi_ontology 80Hg Hg Quecksilber azogue hydrargyrum liquid silver mercure mercurio mercury quicksilver CHEBI:25195 mercury atom CAS:7439-97-6 ChemIDplus mercury IUPAC 80Hg IUPAC Hg IUPAC Quecksilber ChemIDplus azogue ChEBI hydrargyrum IUPAC liquid silver ChemIDplus mercure ChemIDplus mercurio ChEBI mercury ChEBI quicksilver 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 chebi_ontology metalloporphyrins metaloporphyrins CHEBI:25216 metalloporphyrin metalloporphyrins ChEBI metaloporphyrins ChEBI An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol. 0 CH3O3SR 95.099 94.98029 CS(O*)(=O)=O chebi_ontology mesylate ester mesylate esters methanesulfonic acid esters CHEBI:25223 methanesulfonate ester mesylate ester ChEBI mesylate esters ChEBI methanesulfonic acid esters ChEBI A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid. -1 CH3O3S InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1 AFVFQIVMOAPDHO-UHFFFAOYSA-M 95.09872 94.98084 CS([O-])(=O)=O MetaCyc:CPD-3746 UM-BBD_compID:c0347 methanesulfonate chebi_ontology methylsulfonate CHEBI:25224 methanesulfonate UM-BBD_compID:c0347 UM-BBD methanesulfonate IUPAC methanesulfonate UniProt methylsulfonate UM-BBD 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 A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol. 0 C2H6O3S InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3 MBABOKRGFJTBAE-UHFFFAOYSA-N 110.13200 110.00377 COS(C)(=O)=O CAS:66-27-3 KEGG:C19181 MetaCyc:CPD-7038 PMID:11016630 PMID:14761437 PMID:16764919 PMID:21353429 PMID:21860482 PMID:22907509 PMID:23117069 PMID:23384783 PMID:23483329 Reaxys:1098586 Wikipedia:Methyl_methanesulfonate methyl methanesulfonate chebi_ontology CB1540 MMS Methanesulfonic acid methyl ester Methyl mesylate as-Dimethyl sulfite CHEBI:25255 methyl methanesulfonate CAS:66-27-3 ChemIDplus CAS:66-27-3 KEGG COMPOUND PMID:11016630 Europe PMC PMID:14761437 Europe PMC PMID:16764919 Europe PMC PMID:21353429 Europe PMC PMID:21860482 Europe PMC PMID:22907509 Europe PMC PMID:23117069 Europe PMC PMID:23384783 Europe PMC PMID:23483329 Europe PMC Reaxys:1098586 Reaxys methyl methanesulfonate IUPAC CB1540 ChEBI MMS ChemIDplus MMS KEGG_COMPOUND Methanesulfonic acid methyl ester ChemIDplus Methyl mesylate ChemIDplus as-Dimethyl sulfite ChemIDplus chebi_ontology methylxanthines CHEBI:25348 methylxanthine methylxanthines 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 A group of neurotransmitters and neuromodulators that contain one amino group that is connected to an aromatic ring by ethylene group (-CH2-CH2-). Monoamines are derived from the aromatic amino acids phenylalanine, tyrosine, histidine and tryptophan. chebi_ontology monamines monoamines CHEBI:25375 monoamine molecular messenger monamines ChEBI monoamines ChEBI An oxoacid containing a single carboxy group. chebi_ontology monocarboxylic acids CHEBI:25384 monocarboxylic acid monocarboxylic acids ChEBI Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment. PMID:10584045 PMID:12936956 chebi_ontology MUFA MUFAs monounsaturated fatty acids CHEBI:25413 monounsaturated fatty acid PMID:10584045 Europe PMC PMID:12936956 Europe PMC MUFA ChEBI MUFAs ChEBI monounsaturated fatty 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 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 The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active. 0 C7H14N2O2S InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) QGLZXHRNAYXIBU-UHFFFAOYSA-N 190.26300 190.07760 [H]C(=NOC(=O)NC)C(C)(C)SC Beilstein:2046931 CAS:116-06-3 KEGG:C11015 LINCS:LSM-20978 PPDB:19 Patent:US3217037 2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine Aldicarb aldicarb chebi_ontology 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime 2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim aldicarbe CHEBI:2555 aldicarb Beilstein:2046931 Beilstein CAS:116-06-3 ChemIDplus CAS:116-06-3 KEGG COMPOUND CAS:116-06-3 NIST Chemistry WebBook 2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine IUPAC Aldicarb KEGG_COMPOUND aldicarb UniProt 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime ChemIDplus 2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime ChemIDplus 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim COMe 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim ChemIDplus aldicarbe ChemIDplus 0 N InChI=1S/N QJGQUHMNIGDVPM-UHFFFAOYSA-N 14.007 14.00307 [N] 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 Any ketone that is nonane substituted by an oxo group at unspecified position. chebi_ontology nonanones CHEBI:25579 nonanone nonanones 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 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 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 An oxide in which the oxygen atom is bonded to a carbon atom. chebi_ontology organic oxides CHEBI:25701 organic oxide organic oxides 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 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 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 oxopurines CHEBI:25810 oxopurine oxopurines ChEBI Any C5, straight-chain, monounsaturated fatty acid. 0 C5H8O2 100.116 100.05243 pentenoic acid chebi_ontology C5:1 pentenoic acids CHEBI:25897 pentenoic acid pentenoic acid IUPAC C5:1 ChEBI pentenoic acids ChEBI 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 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 An ethanolamine compound having a phenyl (substituted or unsubstituted) group on the carbon bearing the hydroxy substituent. chebi_ontology CHEBI:25990 phenylethanolamines 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 A phosphatidylinositol monophosphate carrying the phosphate group at the 3-position. PMID:18927492 chebi_ontology PI(3)P PtdIns3P phosphatidylinositol 3-phosphates CHEBI:26034 phosphatidylinositol 3-phosphate PMID:18927492 Europe PMC PI(3)P ChEBI PtdIns3P ChEBI phosphatidylinositol 3-phosphates ChEBI chebi_ontology phosphatidylinositol monophosphates CHEBI:26036 phosphatidylinositol monophosphate phosphatidylinositol monophosphates ChEBI 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] 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 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 chebi_ontology CHEBI:26144 piperazines chebi_ontology CHEBI:26151 piperidines 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 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 Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Wikipedia:Porphyrin porphyrins chebi_ontology CHEBI:26214 porphyrins porphyrins IUPAC 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 A ketone that is propane carrying at least one oxo substituent. chebi_ontology CHEBI:26292 propanones A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. prosthetic group chebi_ontology groupe prosthetique prosthetic groups CHEBI:26348 prosthetic group prosthetic group IUPAC groupe prosthetique IUPAC prosthetic groups ChEBI chebi_ontology purine alkaloids CHEBI:26385 purine alkaloid purine alkaloids ChEBI A nucleobase whose skeleton is derived from purine. 0 C5H3N4R2 119.104 119.03577 C1(NC(=NC=2NC=NC12)*)=* KEGG:C15587 purine nucleobase chebi_ontology a purine nucleobase purine bases purine nucleobases CHEBI:26386 purine nucleobase purine nucleobase ChEBI a purine nucleobase UniProt purine bases ChEBI purine nucleobases ChEBI chebi_ontology purine nucleoside triphosphates CHEBI:26393 purine nucleoside triphosphate purine nucleoside triphosphates ChEBI purine nucleoside chebi_ontology purine nucleosides CHEBI:26394 purine nucleoside purine nucleoside ChEBI purine nucleosides ChEBI Any nucleotide that has a purine nucleobase. chebi_ontology purine nucleotides CHEBI:26395 purine nucleotide purine nucleotides ChEBI chebi_ontology purine ribonucleoside triphosphates CHEBI:26398 purine ribonucleoside triphosphate purine ribonucleoside triphosphates ChEBI A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration). 0 C5H9O4R 133.123 133.05008 *[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O chebi_ontology purine ribonucleosides CHEBI:26399 purine ribonucleoside purine ribonucleosides 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 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 chebi_ontology pyrrolidine alkaloids CHEBI:26456 pyrrolidine alkaloid pyrrolidine alkaloids ChEBI 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 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 rhamnoside chebi_ontology rhamnosides CHEBI:26547 rhamnoside rhamnoside ChEBI rhamnosides 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 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 alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class. PMID:20709681 chebi_ontology 3-phosphoglycerate family amino acid 3-phosphoglycerate family amino acids serine family amino acids CHEBI:26650 serine family amino acid PMID:20709681 Europe PMC 3-phosphoglycerate family amino acid ChEBI 3-phosphoglycerate family amino acids ChEBI serine family amino acids 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-] 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 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 Any steroid that acts as hormone. chebi_ontology Steroidhormon Steroidhormone hormona esteroide hormonas esteroideas hormone steroide hormones steroides steroid hormones CHEBI:26764 steroid hormone Steroidhormon ChEBI Steroidhormone ChEBI hormona esteroide ChEBI hormonas esteroideas ChEBI hormone steroide ChEBI hormones steroides ChEBI steroid hormones ChEBI KEGG:C15507 chebi_ontology steroid lactones CHEBI:26766 steroid lactone steroid lactones ChEBI chebi_ontology carbohydrate phosphates CHEBI:26816 carbohydrate phosphate carbohydrate phosphates 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 chebi_ontology sulfur-containing amino acids CHEBI:26834 sulfur-containing amino acid sulfur-containing amino acids ChEBI sulfur molecular entity chebi_ontology sulfur molecular entities CHEBI:26835 sulfur molecular entity sulfur molecular entity ChEBI sulfur molecular entities ChEBI 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 oxacycle having an oxolane (tetrahydrofuran) skeleton. chebi_ontology CHEBI:26912 oxolanes chebi_ontology tetrahydropyridines CHEBI:26921 tetrahydropyridine tetrahydropyridines ChEBI A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. tetrapyrrole tetrapyrroles chebi_ontology a tetrapyrrole CHEBI:26932 tetrapyrrole tetrapyrrole IUPAC tetrapyrroles IUPAC a tetrapyrrole UniProt KEGG:C01857 ethanethioic acid chebi_ontology Thioessigsaeure CHEBI:26952 thioacetic acid ethanethioic acid IUPAC Thioessigsaeure ChEBI 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 chebi_ontology trimethylxanthines CHEBI:27134 trimethylxanthine trimethylxanthines ChEBI A chemical compound containing three hydroxy groups. chebi_ontology triols CHEBI:27136 triol triols ChEBI Tryptamine and its substitution derivatives. chebi_ontology CHEBI:27162 tryptamines chebi_ontology heterobicyclic compounds organic heterobicyclic compounds CHEBI:27171 organic heterobicyclic compound heterobicyclic compounds ChEBI organic heterobicyclic compounds ChEBI Aralkylamino compounds which contain a tyramine skeleton. chebi_ontology CHEBI:27175 tyramines 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 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 alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. 0 CH4O3S InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) AFVFQIVMOAPDHO-UHFFFAOYSA-N 96.10666 95.98812 CS(O)(=O)=O CHEBI:6813 CAS:75-75-2 Gmelin:1681 KEGG:C11145 MetaCyc:CPD-3746 PMID:24304088 PMID:24593036 Reaxys:1446024 Wikipedia:Methanesulfonic_acid Methanesulfonic acid methanesulfonic acid chebi_ontology Methansulfonsaeure methylsulfonic acid CHEBI:27376 methanesulfonic acid CAS:75-75-2 ChemIDplus CAS:75-75-2 KEGG COMPOUND CAS:75-75-2 NIST Chemistry WebBook Gmelin:1681 Gmelin PMID:24304088 Europe PMC PMID:24593036 Europe PMC Reaxys:1446024 Reaxys Methanesulfonic acid KEGG_COMPOUND methanesulfonic acid IUPAC Methansulfonsaeure ChEBI methylsulfonic acid NIST_Chemistry_WebBook 0 As InChI=1S/As RQNWIZPPADIBDY-UHFFFAOYSA-N 74.92160 74.92159 [As] CHEBI:22630 CHEBI:2845 CAS:7440-38-2 KEGG:C06269 WebElements:As arsenic chebi_ontology 33As Arsen Arsenic As arsenic arsenico arsenicum CHEBI:27563 arsenic atom CAS:7440-38-2 ChemIDplus CAS:7440-38-2 KEGG COMPOUND arsenic IUPAC 33As IUPAC Arsen ChemIDplus Arsenic KEGG_COMPOUND As KEGG_COMPOUND arsenic ChEBI arsenico ChEBI arsenicum ChEBI 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 cobalt group element atom that has atomic number 27. 0 Co InChI=1S/Co GUTLYIVDDKVIGB-UHFFFAOYSA-N 58.93320 58.93319 [Co] CHEBI:23335 CHEBI:3788 CAS:7440-48-4 KEGG:C00175 KEGG:C19171 PDBeChem:3CO WebElements:Co cobalt chebi_ontology 27Co Co Cobalt Kobalt cobalt cobalto cobaltum CHEBI:27638 cobalt atom CAS:7440-48-4 ChemIDplus CAS:7440-48-4 KEGG COMPOUND CAS:7440-48-4 NIST Chemistry WebBook cobalt IUPAC 27Co IUPAC Co IUPAC Co UniProt Cobalt KEGG_COMPOUND Kobalt NIST_Chemistry_WebBook cobalt ChEBI cobalto ChEBI cobaltum ChEBI CHEBI:1330 CHEBI:19832 chebi_ontology CHEBI:27682 3',5'-cyclic dGMP A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. 0 C8H10N4O2 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 194.19076 194.08038 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 CHEBI:22982 CHEBI:3295 CHEBI:41472 CAS:58-08-2 DrugBank:DB00201 Drug_Central:463 Gmelin:103040 HMDB:HMDB0001847 KEGG:C07481 KEGG:D00528 KNApSAcK:C00001492 LINCS:LSM-2026 MetaCyc:1-3-7-TRIMETHYLXANTHINE PDBeChem:CFF PMID:10510174 PMID:10796597 PMID:10803761 PMID:10822912 PMID:10884512 PMID:10924888 PMID:10983026 PMID:11014293 PMID:11022879 PMID:11209966 PMID:11312039 PMID:11410911 PMID:11431501 PMID:11815511 PMID:11949272 PMID:12397877 PMID:12457274 PMID:12574990 PMID:12915014 PMID:12943586 PMID:14521986 PMID:14607010 PMID:15257305 PMID:15280431 PMID:15681408 PMID:15718055 PMID:15840517 PMID:16143823 PMID:16391865 PMID:16528931 PMID:16644114 PMID:16709440 PMID:16805851 PMID:16856769 PMID:17132260 PMID:17387608 PMID:17508167 PMID:17724925 PMID:17932622 PMID:17957400 PMID:18068204 PMID:18258404 PMID:18421070 PMID:18513215 PMID:18625110 PMID:18647558 PMID:19007524 PMID:19047957 PMID:19084078 PMID:19088793 PMID:19418355 PMID:19879252 PMID:20164568 PMID:20470411 PMID:22114686 PMID:22770225 PMID:23551936 PMID:24039592 PMID:7441110 PMID:7689104 PMID:8332255 PMID:8347173 PMID:8679661 PMID:9063686 PMID:9067318 PMID:9132918 PMID:9218278 Reaxys:17705 Wikipedia:Caffeine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione CAFFEINE Caffeine caffeine chebi_ontology 1,3,7-Trimethylxanthine 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethylxanthine 1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 7-methyltheophylline Coffein Koffein Thein anhydrous caffeine cafeina cafeine guaranine mateina methyltheobromine teina theine CHEBI:27732 caffeine CAS:58-08-2 ChemIDplus CAS:58-08-2 KEGG COMPOUND CAS:58-08-2 NIST Chemistry WebBook Drug_Central:463 DrugCentral Gmelin:103040 Gmelin PMID:10510174 Europe PMC PMID:10796597 Europe PMC PMID:10803761 Europe PMC PMID:10822912 Europe PMC PMID:10884512 Europe PMC PMID:10924888 Europe PMC PMID:10983026 Europe PMC PMID:11014293 Europe PMC PMID:11022879 Europe PMC PMID:11209966 Europe PMC PMID:11312039 Europe PMC PMID:11410911 Europe PMC PMID:11431501 Europe PMC PMID:11815511 Europe PMC PMID:11949272 Europe PMC PMID:12397877 Europe PMC PMID:12457274 Europe PMC PMID:12574990 Europe PMC PMID:12915014 Europe PMC PMID:12943586 Europe PMC PMID:14521986 Europe PMC PMID:14607010 Europe PMC PMID:15257305 Europe PMC PMID:15280431 Europe PMC PMID:15681408 Europe PMC PMID:15718055 Europe PMC PMID:15840517 Europe PMC PMID:16143823 Europe PMC PMID:16391865 Europe PMC PMID:16528931 Europe PMC PMID:16644114 Europe PMC PMID:16709440 Europe PMC PMID:16805851 Europe PMC PMID:16856769 Europe PMC PMID:17132260 Europe PMC PMID:17387608 Europe PMC PMID:17508167 Europe PMC PMID:17724925 Europe PMC PMID:17932622 Europe PMC PMID:17957400 Europe PMC PMID:18068204 Europe PMC PMID:18258404 Europe PMC PMID:18421070 Europe PMC PMID:18513215 Europe PMC PMID:18625110 Europe PMC PMID:18647558 Europe PMC PMID:19007524 Europe PMC PMID:19047957 Europe PMC PMID:19084078 Europe PMC PMID:19088793 Europe PMC PMID:19418355 Europe PMC PMID:19879252 Europe PMC PMID:20164568 Europe PMC PMID:20470411 Europe PMC PMID:22114686 Europe PMC PMID:22770225 Europe PMC PMID:23551936 Europe PMC PMID:24039592 Europe PMC PMID:7441110 Europe PMC PMID:7689104 Europe PMC PMID:8332255 Europe PMC PMID:8347173 Europe PMC PMID:8679661 Europe PMC PMID:9063686 Europe PMC PMID:9067318 Europe PMC PMID:9132918 Europe PMC PMID:9218278 Europe PMC Reaxys:17705 Reaxys 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione IUPAC CAFFEINE PDBeChem Caffeine KEGG_COMPOUND caffeine UniProt 1,3,7-Trimethylxanthine KEGG_COMPOUND 1,3,7-trimethyl-2,6-dioxopurine ChemIDplus 1,3,7-trimethylpurine-2,6-dione IUPHAR 1,3,7-trimethylxanthine NIST_Chemistry_WebBook 1-methyltheobromine ChemIDplus 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion NIST_Chemistry_WebBook 7-methyltheophylline NIST_Chemistry_WebBook Coffein ChemIDplus Koffein ChemIDplus Thein ChemIDplus anhydrous caffeine KEGG_DRUG cafeina ChemIDplus cafeine ChEBI guaranine IUPHAR mateina ChemIDplus methyltheobromine IUPHAR teina ChEBI theine NIST_Chemistry_WebBook 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 0 C6H11O5R 163.14850 163.06065 C[C@@H]1O[C@@H](O[*])[C@H](O)[C@H](O)[C@H]1O CHEBI:10294 CHEBI:22426 KEGG:C02757 6-deoxy-alpha-L-mannopyranoside alpha-L-Rhamnoside chebi_ontology alpha-L-rhamnosides CHEBI:27848 alpha-L-rhamnoside 6-deoxy-alpha-L-mannopyranoside IUPAC alpha-L-Rhamnoside KEGG_COMPOUND alpha-L-rhamnosides ChEBI A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. 0 C22H25NO6 InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1 IAKHMKGGTNLKSZ-INIZCTEOSA-N 399.443 399.16819 COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O CHEBI:3811 Beilstein:2228813 CAS:64-86-8 Chemspider:5933 DrugBank:DB01394 Drug_Central:726 KEGG:C07592 KEGG:D00570 KNApSAcK:C00002327 LINCS:LSM-5199 MetaCyc:CPD-9785 PDBeChem:LOC PMID:16188942 PMID:17619668 PMID:18787557 PMID:24530796 PMID:28832953 PMID:28912485 PMID:28959419 PMID:30565859 PMID:32025680 PMID:32426001 PMID:32511763 PMID:32837853 PMID:32865380 PMID:33100196 PMID:33166069 Wikipedia:Colchicine N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide chebi_ontology (-)-colchicine (S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide 7alphaH-colchicine Colchicin Colchicine Colchisol Colcin Colcrys Colsaloid Condylon Goutnil Kolkicin Mitigare colchicina colchicinum CHEBI:27882 (S)-colchicine Beilstein:2228813 Beilstein CAS:64-86-8 ChemIDplus CAS:64-86-8 KEGG COMPOUND CAS:64-86-8 NIST Chemistry WebBook Drug_Central:726 DrugCentral PMID:16188942 Europe PMC PMID:17619668 Europe PMC PMID:18787557 Europe PMC PMID:24530796 Europe PMC PMID:28832953 Europe PMC PMID:28912485 Europe PMC PMID:28959419 Europe PMC PMID:30565859 Europe PMC PMID:32025680 Europe PMC PMID:32426001 Europe PMC PMID:32511763 Europe PMC PMID:32837853 Europe PMC PMID:32865380 Europe PMC PMID:33100196 Europe PMC PMID:33166069 Europe PMC N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide IUPAC (-)-colchicine ChEBI (S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide NIST_Chemistry_WebBook 7alphaH-colchicine NIST_Chemistry_WebBook Colchicin ChemIDplus Colchicine KEGG_COMPOUND Colchisol ChemIDplus Colcin ChemIDplus Colcrys ChemIDplus Colsaloid ChemIDplus Condylon ChemIDplus Goutnil ChemIDplus Kolkicin ChemIDplus Mitigare ChemIDplus colchicina DrugBank colchicinum DrugBank 0 CHNO InChI=1S/CHNO/c2-1-3/h3H XLJMAIOERFSOGZ-UHFFFAOYSA-N 43.025 43.00581 OC#N CHEBI:23422 CHEBI:3968 Beilstein:1732479 CAS:420-05-3 Chemspider:525 Gmelin:839 KEGG:C01417 PDBeChem:0NM PMID:12573832 PMID:12590561 PMID:16743625 PMID:16744204 PMID:19624192 PMID:20261791 PMID:20261792 PMID:20340793 PMID:237898 PMID:4368066 PMID:6493050 Cyanic acid hydrogen nitridooxocarbonate hydroxidonitridocarbon nitridooxocarbonic acid chebi_ontology Cyansaeure HOCN Zyansaeure [C(N)OH] acide cyanique acido cianico acidum cyanicum CHEBI:28024 cyanic acid Beilstein:1732479 Beilstein CAS:420-05-3 ChemIDplus CAS:420-05-3 KEGG COMPOUND CAS:420-05-3 NIST Chemistry WebBook Gmelin:839 Gmelin PMID:12573832 Europe PMC PMID:12590561 Europe PMC PMID:16743625 Europe PMC PMID:16744204 Europe PMC PMID:19624192 Europe PMC PMID:20261791 Europe PMC PMID:20261792 Europe PMC PMID:20340793 Europe PMC PMID:237898 Europe PMC PMID:4368066 Europe PMC PMID:6493050 Europe PMC Cyanic acid KEGG_COMPOUND hydrogen nitridooxocarbonate IUPAC hydroxidonitridocarbon IUPAC nitridooxocarbonic acid IUPAC Cyansaeure ChEBI HOCN IUPAC Zyansaeure ChEBI [C(N)OH] IUPAC acide cyanique ChEBI acido cianico ChEBI acidum cyanicum ChEBI A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues. CHEBI:24379 CHEBI:5466 CAS:9005-79-2 GlyGen:G99991IU GlyTouCan:G99991IU HMDB:HMDB0000757 KEGG:C00182 MetaCyc:CPD0-971 Wikipedia:Glycogen Glycogen chebi_ontology WURCS=2.0/1,4,3/[a2122h-1a_1-5]/1-1-1-1/a4-b1_b4-c1_b6-d1 animal starch liver starch CHEBI:28087 glycogen CAS:9005-79-2 ChemIDplus CAS:9005-79-2 KEGG COMPOUND Glycogen KEGG_COMPOUND WURCS=2.0/1,4,3/[a2122h-1a_1-5]/1-1-1-1/a4-b1_b4-c1_b6-d1 GlyTouCan animal starch ChemIDplus liver starch ChemIDplus Chemical element (nickel group element atom) with atomic number 28. 0 Ni InChI=1S/Ni PXHVJJICTQNCMI-UHFFFAOYSA-N 58.69340 57.93534 [Ni] CHEBI:25515 CHEBI:7552 CAS:7440-02-0 Gmelin:16229 KEGG:C00291 PMID:12756270 PMID:14634084 PMID:14734778 PMID:15165199 PMID:19828094 PMID:20477134 PMID:22762130 PMID:23142754 PMID:23317102 PMID:23692032 PMID:23692035 PMID:23723488 PMID:23834453 PMID:23857010 PMID:23895079 PMID:23909687 PMID:9060994 PMID:9886425 Reaxys:4122946 WebElements:Ni Wikipedia:Nickel nickel chebi_ontology 28Ni Ni Nickel Raney alloy niccolum nickel niquel CHEBI:28112 nickel atom CAS:7440-02-0 ChemIDplus CAS:7440-02-0 KEGG COMPOUND CAS:7440-02-0 NIST Chemistry WebBook Gmelin:16229 Gmelin PMID:12756270 Europe PMC PMID:14634084 Europe PMC PMID:14734778 Europe PMC PMID:15165199 Europe PMC PMID:19828094 Europe PMC PMID:20477134 Europe PMC PMID:22762130 Europe PMC PMID:23142754 Europe PMC PMID:23317102 Europe PMC PMID:23692032 Europe PMC PMID:23692035 Europe PMC PMID:23723488 Europe PMC PMID:23834453 Europe PMC PMID:23857010 Europe PMC PMID:23895079 Europe PMC PMID:23909687 Europe PMC PMID:9060994 Europe PMC PMID:9886425 Europe PMC Reaxys:4122946 Reaxys nickel IUPAC 28Ni IUPAC Ni IUPAC Ni UniProt Nickel ChEBI Raney alloy ChemIDplus niccolum ChEBI nickel ChEBI niquel ChEBI A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. 0 C8H13NO2 InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3 HJJPJSXJAXAIPN-UHFFFAOYSA-N 155.19430 155.09463 COC(=O)C1=CCCN(C)C1 CAS:63-75-2 DrugBank:DB04365 HMDB:HMDB0030353 KEGG:C10129 KNApSAcK:C00002020 LINCS:LSM-15214 PMID:21809341 PMID:22493525 PMID:23525646 PMID:23895157 Patent:CN101411705 Patent:CN102464607 Patent:US2506458 Reaxys:123045 Wikipedia:Arecoline methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate chebi_ontology arecaidine methyl ester arecaline arecholine arekolin methylarecaiden methylarecaidin CHEBI:2814 arecoline CAS:63-75-2 ChemIDplus CAS:63-75-2 KEGG COMPOUND PMID:21809341 Europe PMC PMID:22493525 Europe PMC PMID:23525646 Europe PMC PMID:23895157 Europe PMC Reaxys:123045 Reaxys methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate IUPAC arecaidine methyl ester ChEBI arecaline ChEBI arecholine ChEBI arekolin ChEBI methylarecaiden ChEBI methylarecaidin ChEBI An aldohexose that is the C-4 epimer of glucose. 0 C6H12O6 180.156 180.06339 CHEBI:24162 CHEBI:33933 CHEBI:5256 CAS:26566-61-0 KEGG:C01582 Wikipedia:Galactose Galactose galacto-hexose galactose chebi_ontology Gal Galaktose CHEBI:28260 galactose CAS:26566-61-0 ChemIDplus CAS:26566-61-0 NIST Chemistry WebBook Galactose KEGG_COMPOUND galacto-hexose IUPAC galactose IUPAC Gal JCBN Galaktose ChEBI 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 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 Any member of the phosphoinositide family of compounds, of which seven occur naturally. CHEBI:26037 CHEBI:26038 CHEBI:8135 PMID:16441841 PMID:2538726 chebi_ontology phosphatidylinositol phosphates CHEBI:28765 phosphatidylinositol phosphate PMID:16441841 Europe PMC PMID:2538726 Europe PMC phosphatidylinositol phosphates ChEBI A primary amino compound that is the 5-hydroxy derivative of tryptamine. 0 C10H12N2O InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N 176.215 176.09496 C1=CC(=CC=2C(=CNC12)CCN)O CHEBI:1420 CHEBI:26652 CHEBI:49894 CAS:50-67-9 Gmelin:1861995 HMDB:HMDB0000259 KEGG:C00780 KNApSAcK:C00001429 LINCS:LSM-6589 MetaCyc:SEROTONIN PDBeChem:SRO PMID:18593914 PMID:22770225 PMID:24136337 Reaxys:143524 Wikipedia:Serotonin 3-(2-aminoethyl)-1H-indol-5-ol SEROTONIN Serotonin chebi_ontology 3-(2-Aminoethyl)-1H-indol-5-ol 5-HT 5-Hydroxytryptamine Enteramine serotonine thrombocytin thrombotonin CHEBI:28790 serotonin CAS:50-67-9 ChemIDplus CAS:50-67-9 KEGG COMPOUND Gmelin:1861995 Gmelin PMID:18593914 Europe PMC PMID:22770225 Europe PMC PMID:24136337 Europe PMC Reaxys:143524 Reaxys 3-(2-aminoethyl)-1H-indol-5-ol IUPAC SEROTONIN PDBeChem Serotonin KEGG_COMPOUND 3-(2-Aminoethyl)-1H-indol-5-ol KEGG_COMPOUND 5-HT IUPHAR 5-Hydroxytryptamine KEGG_COMPOUND Enteramine KEGG_COMPOUND serotonine ChEBI thrombocytin ChemIDplus thrombotonin ChemIDplus 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 Any glycerophosphoinositol having one phosphatidyl group esterified to one of the hydroxy groups of inositol. CHEBI:18877 CHEBI:494 DrugBank:DB02144 PMID:15634688 PMID:15967713 PMID:17417879 PMID:18189424 PMID:19456874 PMID:23015060 PMID:23118092 Wikipedia:Phosphatidylinositol chebi_ontology PI PtdIns phosphatidylinositols CHEBI:28874 phosphatidylinositol PMID:15634688 Europe PMC PMID:15967713 Europe PMC PMID:17417879 Europe PMC PMID:18189424 Europe PMC PMID:19456874 Europe PMC PMID:23015060 Europe PMC PMID:23118092 Europe PMC PI ChEBI PtdIns ChEBI phosphatidylinositols ChEBI 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 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 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 0 C5H10O7PR 213.103 213.01641 CHEBI:14616 CHEBI:25404 CHEBI:6983 KEGG:C02171 Mononucleotide chebi_ontology mononucleotides CHEBI:29075 mononucleotide Mononucleotide KEGG_COMPOUND mononucleotides 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 +2 Ca InChI=1S/Ca/q+2 BHPQYMZQTOCNFJ-UHFFFAOYSA-N 40.07800 39.96149 [Ca++] CHEBI:22988 CHEBI:3308 CHEBI:48760 CAS:14127-61-8 Gmelin:6850 KEGG:C00076 PDBeChem:CA calcium(2+) calcium(2+) ion calcium(II) cation chebi_ontology CALCIUM ION Ca(2+) Ca2+ calcium, doubly charged positive ion CHEBI:29108 calcium(2+) CAS:14127-61-8 ChemIDplus CAS:14127-61-8 NIST Chemistry WebBook Gmelin:6850 Gmelin calcium(2+) IUPAC calcium(2+) ion IUPAC calcium(II) cation IUPAC CALCIUM ION PDBeChem Ca(2+) IUPAC Ca(2+) UniProt Ca2+ KEGG_COMPOUND calcium, doubly charged positive ion NIST_Chemistry_WebBook -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 -1 CNO InChI=1S/CHNO/c2-1-3/h3H/p-1 XLJMAIOERFSOGZ-UHFFFAOYSA-M 42.01684 41.99854 [O-]C#N CHEBI:14037 CHEBI:23419 CAS:661-20-1 CAS:71000-82-3 FooDB:FDB022835 HMDB:HMDB0002078 KEGG:C01417 MetaCyc:CPD-69 PMID:8323034 UM-BBD_compID:c0568 cyanate nitridooxidocarbonate(1-) chebi_ontology Cyanat OCN(-) Zyanat [C(N)O](-) cyanate ion CHEBI:29195 cyanate CAS:661-20-1 UM-BBD CAS:71000-82-3 ChemIDplus CAS:71000-82-3 KEGG COMPOUND PMID:8323034 Europe PMC UM-BBD_compID:c0568 UM-BBD cyanate IUPAC cyanate UniProt nitridooxidocarbonate(1-) IUPAC Cyanat ChEBI OCN(-) IUPAC Zyanat ChEBI [C(N)O](-) IUPAC cyanate ion ChemIDplus A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. 0 CHNO InChI=1S/CHNO/c2-1-3/h2H OWIKHYCFFJSOEH-UHFFFAOYSA-N 43.02478 43.00581 N=C=O CAS:75-13-8 Gmelin:840 PMID:19494520 PMID:26124058 PMID:26760716 PMID:977566 Reaxys:1616281 isocyanic acid chebi_ontology HN=C=O HNCO ICA [C(NH)O] carbimide hydrogen isocyanate isocyanate isocyansaeure isozyansaeure methenamide oxidoazanediidocarbon CHEBI:29202 isocyanic acid CAS:75-13-8 ChemIDplus CAS:75-13-8 NIST Chemistry WebBook Gmelin:840 Gmelin PMID:19494520 Europe PMC PMID:26124058 Europe PMC PMID:26760716 Europe PMC PMID:977566 Europe PMC Reaxys:1616281 Reaxys isocyanic acid IUPAC HN=C=O NIST_Chemistry_WebBook HNCO IUPAC ICA ChEBI [C(NH)O] IUPAC carbimide ChEBI hydrogen isocyanate NIST_Chemistry_WebBook isocyanate UniProt isocyansaeure ChEBI isozyansaeure ChEBI methenamide ChEBI oxidoazanediidocarbon IUPAC 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 -1 ClO InChI=1S/ClO/c1-2/q-1 WQYVRQLZKVEZGA-UHFFFAOYSA-N 51.45210 50.96432 [O-]Cl CAS:14380-61-1 Gmelin:682 Wikipedia:Hypochlorite hypochlorite oxidochlorate(1-) chebi_ontology ClO(-) Hypochlorit [ClO](-) CHEBI:29222 hypochlorite CAS:14380-61-1 ChemIDplus Gmelin:682 Gmelin hypochlorite IUPAC oxidochlorate(1-) IUPAC ClO(-) IUPAC Hypochlorit ChEBI [ClO](-) IUPAC A diatomic molecule containing covalently bonded hydrogen and fluorine atoms. 0 FH InChI=1S/FH/h1H KRHYYFGTRYWZRS-UHFFFAOYSA-N 20.00634 20.00623 F[H] CAS:7664-39-3 Drug_Central:4499 Gmelin:166 KEGG:C16487 Hydrogen fluoride fluorane fluoridohydrogen hydrogen fluoride chebi_ontology Fluoride Fluorwasserstoff HF Hydrogenfluorid [HF] fluorure d'hydrogene hydrofluoric acid CHEBI:29228 hydrogen fluoride CAS:7664-39-3 ChemIDplus CAS:7664-39-3 KEGG COMPOUND CAS:7664-39-3 NIST Chemistry WebBook Drug_Central:4499 DrugCentral Gmelin:166 Gmelin Hydrogen fluoride KEGG_COMPOUND fluorane IUPAC fluoridohydrogen IUPAC hydrogen fluoride IUPAC Fluoride KEGG_COMPOUND Fluorwasserstoff ChEBI HF IUPAC Hydrogenfluorid ChEBI [HF] IUPAC fluorure d'hydrogene ChEBI hydrofluoric acid ChemIDplus 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 -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 -2 CH2 InChI=1S/CH2/h1H2/q-2 PZPOWPOFQLSNJO-UHFFFAOYSA-N 14.02658 14.01675 [H][C--][H] Beilstein:5915711 Gmelin:322698 dihydridocarbonate(2-) methanediide chebi_ontology CH2(2-) [CH2](2-) CHEBI:29360 methanediide Beilstein:5915711 Beilstein Gmelin:322698 Gmelin dihydridocarbonate(2-) IUPAC methanediide IUPAC CH2(2-) IUPAC [CH2](2-) ChEBI 0 O2 31.99880 31.98983 O(O*)* peroxy chebi_ontology -OO- CHEBI:29369 peroxy group peroxy IUPAC -OO- IUPAC -1 CH3 InChI=1S/CH3/h1H3/q-1 LGRLWUINFJPLSH-UHFFFAOYSA-N 15.03452 15.02402 [H][C-]([H])[H] Beilstein:1813938 CAS:15194-58-8 Gmelin:259263 methanide trihydridocarbonate(1-) chebi_ontology CH3(-) [CH3](-) lambda(2)-methanuide methyl anion CHEBI:29438 methanide Beilstein:1813938 Beilstein CAS:15194-58-8 NIST Chemistry WebBook Gmelin:259263 Gmelin methanide IUPAC trihydridocarbonate(1-) IUPAC CH3(-) IUPAC [CH3](-) ChEBI lambda(2)-methanuide IUPAC methyl anion 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 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 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 0 Cu InChI=1S/Cu RYGMFSIKBFXOCR-UHFFFAOYSA-N 63.54600 62.92960 [Cu] CAS:7440-50-8 copper copper(0) chebi_ontology Cu(0) Cun CHEBI:30052 copper(0) CAS:7440-50-8 ChemIDplus CAS:7440-50-8 NIST Chemistry WebBook copper IUPAC copper(0) IUPAC Cu(0) ChEBI Cun 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 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 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 Li InChI=1S/Li WHXSMMKQMYFTQS-UHFFFAOYSA-N 6.94100 7.01600 [Li] CAS:7439-93-2 WebElements:Li lithium chebi_ontology 3Li Li Lithium lithium litio CHEBI:30145 lithium atom CAS:7439-93-2 NIST Chemistry WebBook lithium IUPAC 3Li IUPAC Li IUPAC Lithium ChEBI lithium ChEBI litio ChEBI 0 Zn InChI=1S/Zn HCHKCACWOHOZIP-UHFFFAOYSA-N 65.39000 63.92914 [Zn] CAS:7440-66-6 DrugBank:DB01593 zinc(0) chebi_ontology Zn(0) Znn zinc CHEBI:30185 zinc(0) CAS:7440-66-6 ChemIDplus CAS:7440-66-6 NIST Chemistry WebBook zinc(0) IUPAC Zn(0) ChEBI Znn IUPAC zinc IUPAC A trivalent inorganic anion obtained by removal of all three protons from antimonous acid. -3 O3Sb InChI=1S/3O.Sb/q3*-1; JXYAODGLKNBUTA-UHFFFAOYSA-N 169.75820 168.89020 [O-][Sb]([O-])[O-] PMID:17419726 antimonite trioxidoantimonate(3-) trioxoantimonate(3-) trioxoantimonate(III) chebi_ontology SbO3(3-) [SbO3](3-) CHEBI:30297 antimonite PMID:17419726 Europe PMC antimonite IUPAC trioxidoantimonate(3-) IUPAC trioxoantimonate(3-) IUPAC trioxoantimonate(III) IUPAC SbO3(3-) IUPAC [SbO3](3-) ChEBI -1 C2H3OS InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)/p-1 DUYAAUVXQSMXQP-UHFFFAOYSA-M 75.11062 74.99101 CC([S-])=O CHEBI:15233 CHEBI:26951 Beilstein:1848542 Beilstein:3903387 CAS:29632-72-2 Gmelin:323277 ethanethioate thioacetate chebi_ontology Thioacetat CHEBI:30320 thioacetate Beilstein:1848542 Beilstein Beilstein:3903387 Beilstein CAS:29632-72-2 ChemIDplus Gmelin:323277 Gmelin ethanethioate IUPAC thioacetate IUPAC thioacetate UniProt Thioacetat ChEBI An alkane that is butane substituted by a methyl group at position 2. 0 C5H12 InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 QWTDNUCVQCZILF-UHFFFAOYSA-N 72.14878 72.09390 CCC(C)C CAS:78-78-4 Gmelin:49318 PMID:21481069 PMID:23904008 PMID:24833189 PMID:24932627 Reaxys:1730723 Wikipedia:Isopentane 2-methylbutane isopentane chebi_ontology (CH3)2CH-CH2-CH3 1,1,2-trimethylethane 1,1-dimethylpropane R-601a dimethylethylmethane iso-C5H12 iso-pentane isoamylhydride CHEBI:30362 isopentane CAS:78-78-4 ChemIDplus CAS:78-78-4 NIST Chemistry WebBook Gmelin:49318 Gmelin PMID:21481069 Europe PMC PMID:23904008 Europe PMC PMID:24833189 Europe PMC PMID:24932627 Europe PMC Reaxys:1730723 Reaxys 2-methylbutane IUPAC isopentane IUPAC (CH3)2CH-CH2-CH3 IUPAC 1,1,2-trimethylethane NIST_Chemistry_WebBook 1,1-dimethylpropane NIST_Chemistry_WebBook R-601a ChEBI dimethylethylmethane ChemIDplus iso-C5H12 NIST_Chemistry_WebBook iso-pentane NIST_Chemistry_WebBook isoamylhydride ChemIDplus +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 A heme is any tetrapyrrolic chelate of iron. CHEBI:14386 CHEBI:24491 COMe:MOL000025 DrugBank:DB03014 KEGG:C00032 heme hemes chebi_ontology Haem haem haeme hem hemos CHEBI:30413 heme heme IUPAC heme IUPAC heme UniProt hemes IUPAC Haem ChEBI haem ChEBI haem IUPAC haeme IUPAC hem IUPAC hemos IUPAC +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 0 Ag InChI=1S/Ag BQCADISMDOOEFD-UHFFFAOYSA-N 107.86820 106.90509 [Ag] CAS:7440-22-4 WebElements:Ag silver chebi_ontology 47Ag Ag Silber argent argentum plata silver CHEBI:30512 silver atom CAS:7440-22-4 ChemIDplus silver IUPAC 47Ag IUPAC Ag IUPAC Silber ChemIDplus argent ChEBI argentum IUPAC plata ChEBI silver ChEBI 0 Sb InChI=1S/Sb WATWJIUSRGPENY-UHFFFAOYSA-N 121.76000 120.90381 [Sb] WebElements:Sb antimony chebi_ontology 51Sb Antimon Sb antimoine antimonio antimony stibium CHEBI:30513 antimony atom antimony IUPAC 51Sb IUPAC Antimon ChEBI Sb IUPAC antimoine ChEBI antimonio ChEBI antimony ChEBI stibium IUPAC An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid. -1 C4H8NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1 BTCSSZJGUNDROE-UHFFFAOYSA-M 102.11186 102.05605 NCCCC([O-])=O CHEBI:11961 CHEBI:20317 Gmelin:559138 KEGG:C00334 PMID:12509893 Reaxys:3536873 4-aminobutanoate chebi_ontology 4-Amino-butyrat 4-Aminobutylate 4-aminobutanoic acid ion (1-) 4-aminobutyrate gamma-aminobutanoate gamma-aminobutyrate anion CHEBI:30566 gamma-aminobutyrate Gmelin:559138 Gmelin PMID:12509893 Europe PMC Reaxys:3536873 Reaxys 4-aminobutanoate IUPAC 4-Amino-butyrat ChEBI 4-Aminobutylate KEGG_COMPOUND 4-aminobutanoic acid ion (1-) ChEBI 4-aminobutyrate ChEBI gamma-aminobutanoate ChEBI gamma-aminobutyrate anion ChEBI A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3. -4 C10H12N5O13P3 InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-J 503.14946 502.96664 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O Beilstein:3581767 Gmelin:342798 adenosine 5'-triphosphate(4-) chebi_ontology ATP atp CHEBI:30616 ATP(4-) Beilstein:3581767 Beilstein Gmelin:342798 Gmelin adenosine 5'-triphosphate(4-) IUPAC ATP UniProt atp IUPAC 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 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 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 straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. 0 C4H8O2 InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) FERIUCNNQQJTOY-UHFFFAOYSA-N 88.10510 88.05243 CCCC(O)=O CHEBI:113450 CHEBI:22948 CHEBI:3234 CHEBI:41208 CAS:107-92-6 DrugBank:DB03568 Gmelin:26242 HMDB:HMDB0000039 KEGG:C00246 KNApSAcK:C00001180 LIPID_MAPS_instance:LMFA01010004 MetaCyc:BUTYRIC_ACID PDBeChem:BUA PMID:10736622 PMID:10956204 PMID:11201044 PMID:11208715 PMID:11238216 PMID:11305323 PMID:12068484 PMID:13678314 PMID:14962641 PMID:1542095 PMID:15809727 PMID:15810631 PMID:15938880 PMID:19318247 PMID:19366864 PMID:19703412 PMID:21699495 PMID:22038864 PMID:22194341 PMID:22322557 PMID:22339023 PMID:22466881 Reaxys:906770 Wikipedia:Butyric_acid Butyric acid butanoic acid butyric acid chebi_ontology 1-butanoic acid 1-butyric acid 1-propanecarboxylic acid 4:0 BUTANOIC ACID Butanoate Butanoic acid Buttersaeure C4:0 CH3-[CH2]2-COOH acide butanoique acide butyrique butanic acid butoic acid ethylacetic acid n-butanoic acid n-butyric acid propanecarboxylic acid propylformic acid CHEBI:30772 butyric acid CAS:107-92-6 ChemIDplus CAS:107-92-6 KEGG COMPOUND CAS:107-92-6 NIST Chemistry WebBook Gmelin:26242 Gmelin LIPID_MAPS_instance:LMFA01010004 LIPID MAPS PMID:10736622 Europe PMC PMID:10956204 ChEMBL PMID:11201044 Europe PMC PMID:11208715 Europe PMC PMID:11238216 Europe PMC PMID:11305323 Europe PMC PMID:12068484 Europe PMC PMID:13678314 Europe PMC PMID:14962641 Europe PMC PMID:1542095 ChEMBL PMID:15809727 Europe PMC PMID:15810631 Europe PMC PMID:15938880 Europe PMC PMID:19318247 Europe PMC PMID:19366864 Europe PMC PMID:19703412 Europe PMC PMID:21699495 Europe PMC PMID:22038864 Europe PMC PMID:22194341 Europe PMC PMID:22322557 Europe PMC PMID:22339023 Europe PMC PMID:22466881 Europe PMC Reaxys:906770 Reaxys Butyric acid KEGG_COMPOUND butanoic acid IUPAC butyric acid IUPAC 1-butanoic acid HMDB 1-butyric acid HMDB 1-propanecarboxylic acid MetaCyc 4:0 ChEBI BUTANOIC ACID PDBeChem Butanoate KEGG_COMPOUND Butanoic acid KEGG_COMPOUND Buttersaeure ChEBI C4:0 ChEBI CH3-[CH2]2-COOH IUPAC acide butanoique IUPAC acide butyrique ChEBI butanic acid ChEBI butoic acid ChEBI ethylacetic acid NIST_Chemistry_WebBook n-butanoic acid NIST_Chemistry_WebBook n-butyric acid NIST_Chemistry_WebBook propanecarboxylic acid HMDB propylformic acid MetaCyc A C6, straight-chain saturated fatty acid. 0 C6H12O2 InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) FUZZWVXGSFPDMH-UHFFFAOYSA-N 116.15830 116.08373 CCCCCC(O)=O CHEBI:24571 CHEBI:40213 CHEBI:5702 CAS:142-62-1 ECMDB:ECMDB21229 Gmelin:185066 HMDB:HMDB0000535 KEGG:C01585 KNApSAcK:C00001218 LIPID_MAPS_instance:LMFA01010006 MetaCyc:HEXANOATE PDBeChem:6NA PMID:10685018 PMID:1556177 PMID:24357269 PMID:24924750 Reaxys:773837 Wikipedia:Hexanoic_acid YMDB:YMDB01424 HEXANOIC ACID Hexanoic acid hexanoic acid chebi_ontology 1-hexanoic acid 1-pentanecarboxylic acid 6:0 C6:0 CH3-[CH2]4-COOH Hexanoate Hexylic acid Pentanecarboxylic acid butylacetic acid caproic acid capronic acid hexoic acid n-Caproic acid n-hexanoic acid n-hexoic acid n-hexylic acid pentiformic acid pentylformic acid CHEBI:30776 hexanoic acid CAS:142-62-1 ChemIDplus CAS:142-62-1 KEGG COMPOUND CAS:142-62-1 NIST Chemistry WebBook Gmelin:185066 Gmelin LIPID_MAPS_instance:LMFA01010006 LIPID MAPS PMID:10685018 Europe PMC PMID:1556177 Europe PMC PMID:24357269 Europe PMC PMID:24924750 Europe PMC Reaxys:773837 Reaxys HEXANOIC ACID PDBeChem Hexanoic acid KEGG_COMPOUND hexanoic acid IUPAC 1-hexanoic acid ChemIDplus 1-pentanecarboxylic acid ChemIDplus 6:0 ChEBI C6:0 ChEBI CH3-[CH2]4-COOH IUPAC Hexanoate KEGG_COMPOUND Hexylic acid KEGG_COMPOUND Pentanecarboxylic acid ChemIDplus butylacetic acid ChemIDplus caproic acid ChEBI capronic acid NIST_Chemistry_WebBook hexoic acid NIST_Chemistry_WebBook n-Caproic acid KEGG_COMPOUND n-hexanoic acid NIST_Chemistry_WebBook n-hexoic acid ChemIDplus n-hexylic acid ChemIDplus pentiformic acid ChemIDplus pentylformic acid ChemIDplus 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 A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. 0 C4H4N2 InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H KYQCOXFCLRTKLS-UHFFFAOYSA-N 80.08804 80.03745 c1cnccn1 CAS:290-37-9 Gmelin:1733 HMDB:HMDB0034176 PMID:24964033 Reaxys:103905 Wikipedia:Pyrazine pyrazine chebi_ontology 1,4-Diazin 1,4-diazine Pyrazin p-diazine paradiazine pyz CHEBI:30953 pyrazine CAS:290-37-9 ChemIDplus CAS:290-37-9 NIST Chemistry WebBook Gmelin:1733 Gmelin PMID:24964033 Europe PMC Reaxys:103905 Reaxys pyrazine IUPAC 1,4-Diazin ChEBI 1,4-diazine NIST_Chemistry_WebBook Pyrazin ChEBI p-diazine NIST_Chemistry_WebBook paradiazine NIST_Chemistry_WebBook pyz IUPAC A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'. 0 C10H8N2 InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H MWVTWFVJZLCBMC-UHFFFAOYSA-N 156.18400 156.06875 c1cc(ccn1)-c1ccncc1 CAS:553-26-4 Gmelin:3759 PMID:24022647 PMID:24358992 PMID:24446585 Reaxys:113176 Wikipedia:4,4%27-Bipyridine 4,4'-bipyridine chebi_ontology 4,4'-bipyridyl 4,4'-bpy 4,4'-dipyridine 4,4'-dipyridyl 4,4-Bipyridin 4-(4-pyridyl)pyridine gamma,gamma'-bipyridyl gamma,gamma'-dipyridyl CHEBI:30985 4,4'-bipyridine CAS:553-26-4 ChemIDplus CAS:553-26-4 NIST Chemistry WebBook Gmelin:3759 Gmelin PMID:24022647 Europe PMC PMID:24358992 Europe PMC PMID:24446585 Europe PMC Reaxys:113176 Reaxys 4,4'-bipyridine IUPAC 4,4'-bipyridyl ChemIDplus 4,4'-bpy IUPAC 4,4'-dipyridine NIST_Chemistry_WebBook 4,4'-dipyridyl NIST_Chemistry_WebBook 4,4-Bipyridin ChEBI 4-(4-pyridyl)pyridine ChemIDplus gamma,gamma'-bipyridyl NIST_Chemistry_WebBook gamma,gamma'-dipyridyl NIST_Chemistry_WebBook An inorganic chloride having ammonium as the counterion. 0 Cl.H4N ClH4N InChI=1S/ClH.H3N/h1H;1H3 NLXLAEXVIDQMFP-UHFFFAOYSA-N 53.49120 53.00323 [Cl-].[H][N+]([H])([H])[H] CAS:12125-02-9 Gmelin:10120 KEGG:C12538 KEGG:D01139 Wikipedia:Ammonium_Chloride Ammonium chloride ammonium chloride chebi_ontology Ammoniumchlorid NH4Cl [NH4]Cl azanium chloride CHEBI:31206 ammonium chloride CAS:12125-02-9 ChemIDplus CAS:12125-02-9 KEGG COMPOUND CAS:12125-02-9 NIST Chemistry WebBook Gmelin:10120 Gmelin Ammonium chloride KEGG_COMPOUND ammonium chloride IUPAC Ammoniumchlorid NIST_Chemistry_WebBook NH4Cl IUPAC [NH4]Cl IUPAC azanium chloride ChEBI The L-enantiomer of cysteinate(1-). -1 C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-M 120.15128 120.01247 N[C@@H](CS)C([O-])=O Gmelin:325857 Reaxys:4128886 L-cysteinate(1-) hydrogen L-cysteinate chebi_ontology (2R)-2-amino-3-mercaptopropanoate (2R)-2-amino-3-sulfanylpropanoate L-cysteine anion L-cysteine monoanion CHEBI:32442 L-cysteinate(1-) Gmelin:325857 Gmelin Reaxys:4128886 Reaxys L-cysteinate(1-) JCBN hydrogen L-cysteinate IUPAC (2R)-2-amino-3-mercaptopropanoate ChEBI (2R)-2-amino-3-sulfanylpropanoate IUPAC L-cysteine anion NIST_Chemistry_WebBook L-cysteine monoanion JCBN The L-enantiomer of cysteinate(2-). -2 C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-L 119.14334 119.00520 N[C@@H](C[S-])C([O-])=O Gmelin:325856 Reaxys:5921923 L-cysteinate L-cysteinate(2-) chebi_ontology (2R)-2-amino-3-sulfidopropanoate L-cysteine dianion CHEBI:32443 L-cysteinate(2-) Gmelin:325856 Gmelin Reaxys:5921923 Reaxys L-cysteinate IUPAC L-cysteinate(2-) JCBN (2R)-2-amino-3-sulfidopropanoate IUPAC L-cysteine dianion JCBN The L-enantiomer of cysteinium. +1 C3H8NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-O 122.16716 122.02703 [NH3+][C@@H](CS)C(O)=O Gmelin:325860 L-cysteinium chebi_ontology (1R)-1-carboxy-2-mercaptoethanaminium (1R)-1-carboxy-2-sulfanylethanaminium L-cysteine cation L-cysteinium(1+) CHEBI:32445 L-cysteinium Gmelin:325860 Gmelin L-cysteinium IUPAC (1R)-1-carboxy-2-mercaptoethanaminium ChEBI (1R)-1-carboxy-2-sulfanylethanaminium IUPAC L-cysteine cation JCBN L-cysteinium(1+) ChEBI The D-enantiomer of cysteinate(1-). -1 C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-M 120.15128 120.01247 N[C@H](CS)C([O-])=O Gmelin:1006156 D-cysteinate(1-) hydrogen D-cysteinate chebi_ontology (2S)-2-amino-3-mercaptopropanoate (2S)-2-amino-3-sulfanylpropanoate D-cysteine monoanion CHEBI:32449 D-cysteinate(1-) Gmelin:1006156 Gmelin D-cysteinate(1-) JCBN hydrogen D-cysteinate IUPAC (2S)-2-amino-3-mercaptopropanoate ChEBI (2S)-2-amino-3-sulfanylpropanoate IUPAC D-cysteine monoanion JCBN The D-enantiomer of cysteinate(2-). -2 C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-L 119.14334 119.00520 N[C@H](C[S-])C([O-])=O Gmelin:1342792 D-cysteinate D-cysteinate(2-) chebi_ontology (2S)-2-amino-3-sulfidopropanoate D-cysteine dianion CHEBI:32450 D-cysteinate(2-) Gmelin:1342792 Gmelin D-cysteinate IUPAC D-cysteinate(2-) JCBN (2S)-2-amino-3-sulfidopropanoate IUPAC D-cysteine dianion JCBN The D-enantiomer of cysteinium. +1 C3H8NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-O 122.16716 122.02703 [NH3+][C@H](CS)C(O)=O Gmelin:363237 D-cysteinium chebi_ontology (1S)-1-carboxy-2-mercaptoethanaminium (1S)-1-carboxy-2-sulfanylethanaminium D-cysteine cation CHEBI:32451 D-cysteinium Gmelin:363237 Gmelin D-cysteinium IUPAC (1S)-1-carboxy-2-mercaptoethanaminium ChEBI (1S)-1-carboxy-2-sulfanylethanaminium IUPAC D-cysteine cation JCBN A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group. -1 C3H6NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1 XUJNEKJLAYXESH-UHFFFAOYSA-M 120.15128 120.01247 NC(CS)C([O-])=O Gmelin:363235 Reaxys:4128885 cysteinate(1-) hydrogen cysteinate chebi_ontology 2-amino-3-mercaptopropanoate 2-amino-3-sulfanylpropanoate cys(-) cysteine monoanion CHEBI:32456 cysteinate(1-) Gmelin:363235 Gmelin Reaxys:4128885 Reaxys cysteinate(1-) JCBN hydrogen cysteinate IUPAC 2-amino-3-mercaptopropanoate ChEBI 2-amino-3-sulfanylpropanoate IUPAC cys(-) IUPAC cysteine monoanion JCBN -2 C3H5NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2 XUJNEKJLAYXESH-UHFFFAOYSA-L 119.14334 119.00520 NC(C[S-])C([O-])=O Gmelin:49990 cysteinate cysteinate(2-) chebi_ontology 2-amino-3-sulfidopropanoate cysteine dianion CHEBI:32457 cysteinate(2-) Gmelin:49990 Gmelin cysteinate IUPAC cysteinate(2-) JCBN 2-amino-3-sulfidopropanoate IUPAC cysteine dianion JCBN +1 C3H8NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1 XUJNEKJLAYXESH-UHFFFAOYSA-O 122.16716 122.02703 [NH3+]C(CS)C(O)=O Gmelin:325859 1-carboxy-2-sulfanylethanaminium cysteinium chebi_ontology 1-carboxy-2-mercaptoethanaminium H2cys(+) cysteine cation CHEBI:32458 cysteinium Gmelin:325859 Gmelin 1-carboxy-2-sulfanylethanaminium IUPAC cysteinium JCBN 1-carboxy-2-mercaptoethanaminium ChEBI H2cys(+) IUPAC cysteine cation JCBN An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group. -1 C6H13N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1 KDXKERNSBIXSRK-UHFFFAOYSA-M 145.17970 145.09825 NCCCCC(N)C([O-])=O Gmelin:815095 lysinate chebi_ontology 2,6-diaminohexanoate lys(-) lysinate(1-) lysine anion CHEBI:32563 lysinate Gmelin:815095 Gmelin lysinate IUPAC 2,6-diaminohexanoate IUPAC lys(-) IUPAC lysinate(1-) ChEBI lysine anion JCBN An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group. +1 C6H15N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1 KDXKERNSBIXSRK-UHFFFAOYSA-O 147.19558 147.11280 [NH3+]CCCCC([NH3+])C([O-])=O lysinium lysinium(1+) chebi_ontology 2,6-diammoniohexanoate lysine monocation CHEBI:32564 lysinium(1+) lysinium IUPAC lysinium(1+) JCBN 2,6-diammoniohexanoate IUPAC lysine monocation JCBN An alpha-amino-acid cation obtained by protonation of both amino groups of lysine. +2 C6H16N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2 KDXKERNSBIXSRK-UHFFFAOYSA-P 148.20352 148.12008 [NH3+]CCCCC([NH3+])C(O)=O lysinediium lysinium(2+) chebi_ontology 1-carboxypentane-1,5-diaminium lysine dication CHEBI:32565 lysinium(2+) lysinediium IUPAC lysinium(2+) JCBN 1-carboxypentane-1,5-diaminium IUPAC lysine dication 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 0 C2H3NaO2 InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 VMHLLURERBWHNL-UHFFFAOYSA-M 82.03379 82.00307 [Na+].CC([O-])=O Beilstein:3595639 CAS:127-09-3 Gmelin:20502 Wikipedia:Sodium_Acetate sodium acetate chebi_ontology Natriumazetat acetic acid, sodium salt anhydrous sodium acetate sodium acetate anhydrous CHEBI:32954 sodium acetate Beilstein:3595639 Beilstein CAS:127-09-3 ChemIDplus Gmelin:20502 Gmelin sodium acetate IUPAC Natriumazetat ChEBI acetic acid, sodium salt ChemIDplus anhydrous sodium acetate ChemIDplus sodium acetate anhydrous ChemIDplus 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 An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. 0 C16H10 InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H GVEPBJHOBDJJJI-UHFFFAOYSA-N 202.25060 202.07825 c1ccc-2c(c1)-c1cccc3cccc-2c13 CAS:206-44-0 Gmelin:262216 KEGG:C19425 MetaCyc:CPD-15564 PMID:15278918 PMID:17258277 PMID:23943046 PMID:24151025 Reaxys:1907918 Wikipedia:Fluoranthene fluoranthene chebi_ontology benzo[jk]fluorene CHEBI:33083 fluoranthene CAS:206-44-0 ChemIDplus CAS:206-44-0 KEGG COMPOUND CAS:206-44-0 NIST Chemistry WebBook Gmelin:262216 Gmelin PMID:15278918 Europe PMC PMID:17258277 Europe PMC PMID:23943046 Europe PMC PMID:24151025 Europe PMC Reaxys:1907918 Reaxys fluoranthene IUPAC benzo[jk]fluorene NIST_Chemistry_WebBook A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. 0 C15H16O2 InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 IISBACLAFKSPIT-UHFFFAOYSA-N 228.291 228.11503 CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 CHEBI:22900 CHEBI:31295 CHEBI:47094 CAS:80-05-7 DrugBank:DB06973 HMDB:HMDB0032133 KEGG:C13624 LINCS:LSM-37080 PDBeChem:2OH PMID:10593191 PMID:11361040 PMID:12860292 PMID:15936980 PMID:16904728 PMID:24471646 PMID:25042713 PMID:25148994 PMID:25524584 PMID:25569640 PMID:25637671 PMID:25663485 Reaxys:1107700 UM-BBD_compID:c0764 Wikipedia:Bisphenol_A 4,4'-(propane-2,2-diyl)diphenol Bisphenol A bisphenol A chebi_ontology 2, 2-Bis(4-hydroxyphenyl)propane 2,2-Bis(4'-hydroxyphenyl)propane 2,2-Bis(4-Hydroxyphenyl)propane 2,2-Bis(p-hydroxyphenyl)propane 2,2-Di(4-hydroxyphenyl)propane 2,2-Di(4-phenylol)propane 4,4'-(1-Methylethane-1,1-diyl)diphenol 4,4'-(1-Methylethylidene)bisphenol 4,4'-(Propane-2,2-diyl)diphenol 4,4'-Bisphenol A 4,4'-Isopropylidenediphenol BPA Dianin's compound bisphenol-A CHEBI:33216 bisphenol A CAS:80-05-7 ChemIDplus CAS:80-05-7 KEGG COMPOUND CAS:80-05-7 NIST Chemistry WebBook PMID:10593191 Europe PMC PMID:11361040 Europe PMC PMID:12860292 Europe PMC PMID:15936980 Europe PMC PMID:16904728 Europe PMC PMID:24471646 Europe PMC PMID:25042713 Europe PMC PMID:25148994 Europe PMC PMID:25524584 Europe PMC PMID:25569640 Europe PMC PMID:25637671 Europe PMC PMID:25663485 Europe PMC Reaxys:1107700 Reaxys UM-BBD_compID:c0764 UM-BBD 4,4'-(propane-2,2-diyl)diphenol IUPAC Bisphenol A KEGG_COMPOUND bisphenol A UniProt 2, 2-Bis(4-hydroxyphenyl)propane HMDB 2,2-Bis(4'-hydroxyphenyl)propane HMDB 2,2-Bis(4-Hydroxyphenyl)propane KEGG_COMPOUND 2,2-Bis(p-hydroxyphenyl)propane ChemIDplus 2,2-Di(4-hydroxyphenyl)propane ChemIDplus 2,2-Di(4-phenylol)propane ChemIDplus 4,4'-(1-Methylethane-1,1-diyl)diphenol HMDB 4,4'-(1-Methylethylidene)bisphenol ChemIDplus 4,4'-(Propane-2,2-diyl)diphenol HMDB 4,4'-Bisphenol A ChemIDplus 4,4'-Isopropylidenediphenol ChemIDplus BPA HMDB Dianin's compound ChEBI bisphenol-A 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 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 A physiological role played by any substance of either plant, animal or artificial origin which contains essential body nutrients that can be ingested by an organism to provide energy, promote growth, and maintain the processes of life. chebi_ontology food material food materials food role foods foodstuff foodstuffs CHEBI:33290 food food material ChEBI food materials ChEBI food role ChEBI foods ChEBI foodstuff ChEBI foodstuffs 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 An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal. alkaline earth molecular entity chebi_ontology alkaline earth compounds alkaline earth molecular entities alkaline-earth compounds CHEBI:33299 alkaline earth molecular entity alkaline earth molecular entity ChEBI alkaline earth compounds ChEBI alkaline earth molecular entities ChEBI alkaline-earth compounds 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 organic acid in which one or both oxygens of a carboxy group have been replaced by divalent sulfur. carbothioic acids thiocarboxylic acid thiocarboxylic acids chebi_ontology thiocarboxylic acids CHEBI:33307 thiocarboxylic acid carbothioic acids IUPAC thiocarboxylic acid IUPAC thiocarboxylic acids IUPAC thiocarboxylic acids 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 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 8 elements chebi_ontology iron group element iron group elements CHEBI:33356 iron group element atom group 8 elements IUPAC iron group element ChEBI iron group elements ChEBI group 9 elements chebi_ontology cobalt group element cobalt group elements CHEBI:33358 cobalt group element atom group 9 elements IUPAC cobalt group element ChEBI cobalt group elements ChEBI group 10 elements chebi_ontology nickel group element nickel group elements CHEBI:33362 nickel group element atom group 10 elements IUPAC nickel group element ChEBI nickel 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 halogen oxoacid chebi_ontology halogen oxoacids CHEBI:33425 halogen oxoacid halogen oxoacid ChEBI halogen oxoacids ChEBI chlorine oxoacid chebi_ontology chlorine oxoacids CHEBI:33426 chlorine oxoacid chlorine oxoacid ChEBI chlorine oxoacids 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 chlorine oxoanion chebi_ontology chlorine oxoanions CHEBI:33437 chlorine oxoanion chlorine oxoanion ChEBI chlorine oxoanions ChEBI halogen oxoanion chebi_ontology halogen oxoanions CHEBI:33443 halogen oxoanion halogen oxoanion ChEBI halogen oxoanions 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 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 alkaline earth cations alkaline earth metal cation alkaline-earth metal cations CHEBI:33513 alkaline earth cation alkaline earth cations ChEBI alkaline earth metal cation ChEBI alkaline-earth metal cations 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 An amino-acid anion obtained by deprotonation of any alpha-amino acid. chebi_ontology alpha-amino acid anion 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 Any compound containing an o-diphenol component. 0 C6H2O2R4 106.079 106.00548 OC1=C(O)C(*)=C(*)C(*)=C1* CHEBI:134187 CHEBI:13628 CHEBI:18862 KEGG:C15571 chebi_ontology 1,2-benzenediols a catechol benzene-1,2-diols CHEBI:33566 catechols 1,2-benzenediols ChEBI a catechol UniProt benzene-1,2-diols ChEBI 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution. 0 C8H9NO2R2 151.163 151.06333 CHEBI:23056 CHEBI:3468 KEGG:C02012 Catecholamine catecholamines chebi_ontology catecholamines CHEBI:33567 catecholamine Catecholamine KEGG_COMPOUND catecholamines IUPAC catecholamines ChEBI CHEBI:22705 CHEBI:22711 chebi_ontology CHEBI:33570 benzenediols 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 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 Any carboxylic acid having a sulfur substituent. chebi_ontology S-containing carboxylic acid S-containing carboxylic acids sulfur-containing carboxylic acids CHEBI:33576 sulfur-containing carboxylic acid S-containing carboxylic acid ChEBI S-containing carboxylic acids ChEBI sulfur-containing carboxylic acids ChEBI 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 one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms. ortho- and peri-fused polycyclic compounds chebi_ontology ortho- and peri-fused compounds CHEBI:33639 ortho- and peri-fused compound ortho- and peri-fused polycyclic compounds IUPAC ortho- and peri-fused compounds 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 cyclic hydrocarbon chebi_ontology cyclic hydrocarbons CHEBI:33663 cyclic hydrocarbon cyclic hydrocarbon ChEBI cyclic 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 An RNA molecule that transfers the coding information for protein synthesis from the chromosomes to the ribosomes mRNA is formed from a DNA template by transcription. It may be a copy of a single gene or of several adjacent genes (polycistronic mRNA). On the ribosome, the sequence is converted into the programmed amino acid sequence through translation. messenger RNA chebi_ontology mRNA template RNA CHEBI:33699 messenger RNA messenger RNA IUPAC mRNA IUPAC mRNA UniProt template RNA ChEBI A cation consisting of more than one atom. chebi_ontology polyatomic cations CHEBI:33702 polyatomic cation polyatomic cations ChEBI chebi_ontology amino acid cation amino acid cations amino-acid cations CHEBI:33703 amino-acid cation amino acid cation ChEBI amino acid cations 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 A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group. gamma-amino acid chebi_ontology gamma-amino acids CHEBI:33707 gamma-amino acid gamma-amino acid ChEBI gamma-amino acids ChEBI 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 amino-acid residues CHEBI:33708 amino-acid residue amino-acid residue IUPAC amino acid residue ChEBI amino acid residues 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 chebi_ontology alpha-amino acid cation 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 iron group molecular entity chebi_ontology iron group molecular entities CHEBI:33744 iron group molecular entity iron group molecular entity ChEBI iron 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 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 Any aldehyde in which the carbonyl group is attached to an aromatic moiety. 0 CHOR 29.018 29.00274 *C(=O)[H] CHEBI:13819 CHEBI:22621 CHEBI:2832 CHEBI:87908 KEGG:C00193 MetaCyc:Aryl-Aldehyde arenecarbaldehyde chebi_ontology Aromatic aldehyde an aromatic aldehyde arenecarbaldehydes aryl aldehyde aryl aldehydes CHEBI:33855 arenecarbaldehyde MetaCyc:Aryl-Aldehyde SUBMITTER arenecarbaldehyde ChEBI Aromatic aldehyde KEGG_COMPOUND an aromatic aldehyde UniProt arenecarbaldehydes ChEBI aryl aldehyde ChEBI aryl aldehydes 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 iron coordination entity chebi_ontology iron coordination compounds iron coordination entities CHEBI:33892 iron coordination entity iron coordination entity ChEBI iron coordination compounds ChEBI iron 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 chebi_ontology metal-tetrapyrrole metal-tetrapyrrole complex metallotetrapyrroles CHEBI:33909 metallotetrapyrrole metal-tetrapyrrole ChEBI metal-tetrapyrrole complex ChEBI metallotetrapyrroles ChEBI A pentose with a (potential) aldehyde group at one end. PMID:10723607 aldopentose chebi_ontology aldopentoses CHEBI:33916 aldopentose PMID:10723607 Europe PMC aldopentose ChEBI aldopentoses ChEBI A hexose with a (potential) aldehyde group at one end. CHEBI:2558 aldohexose chebi_ontology aldohexoses CHEBI:33917 aldohexose aldohexose ChEBI aldohexoses ChEBI 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 Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature. 0 C5H10O5 150.130 150.05282 CHEBI:26564 ribo-pentose ribose chebi_ontology Rib CHEBI:33942 ribose ribo-pentose IUPAC ribose IUPAC Rib JCBN chebi_ontology halide salts halides CHEBI:33958 halide salt halide salts ChEBI halides ChEBI silver molecular entity chebi_ontology silver compounds silver molecular entities CHEBI:33964 silver molecular entity silver molecular entity ChEBI silver compounds ChEBI silver molecular entities ChEBI chebi_ontology CHEBI:33966 elemental silver An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. +2 C12H14N2 InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2 INFDPOAKFNIJBF-UHFFFAOYSA-N 186.25304 186.11460 C[n+]1ccc(cc1)-c1cc[n+](C)cc1 CAS:4685-14-7 Chemspider:15147 FooDB:FDB011120 Gmelin:51125 KEGG:C14701 PMID:11349957 PMID:18620719 PMID:20377249 PMID:20582739 PMID:21151885 PMID:21236547 PMID:21300143 PMID:21318114 PMID:21429624 PMID:21493003 PMID:21598522 PMID:21616728 PMID:21619794 PMID:21619822 PMID:21750730 PMID:21777615 PMID:21787677 PMID:21802509 PPDB:505 Pesticides:paraquat Reaxys:3590305 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium Paraquat chebi_ontology 1,1'-Dimethyl-4,4'-bipyridinium 1,1'-dimethyl-4,4'-bipyridyldiylium N,N'-dimethyl-4,4'-bipyridinium N,N'-dimethyl-4,4'-bipyridinium dication dimethyl viologen methyl viologen ion(2+) paraquat dication paraquat ion CHEBI:34905 paraquat CAS:4685-14-7 ChemIDplus CAS:4685-14-7 KEGG COMPOUND CAS:4685-14-7 NIST Chemistry WebBook Gmelin:51125 Gmelin PMID:11349957 Europe PMC PMID:18620719 Europe PMC PMID:20377249 Europe PMC PMID:20582739 Europe PMC PMID:21151885 Europe PMC PMID:21236547 Europe PMC PMID:21300143 Europe PMC PMID:21318114 Europe PMC PMID:21429624 Europe PMC PMID:21493003 Europe PMC PMID:21598522 Europe PMC PMID:21616728 Europe PMC PMID:21619794 Europe PMC PMID:21619822 Europe PMC PMID:21750730 Europe PMC PMID:21777615 Europe PMC PMID:21787677 Europe PMC PMID:21802509 Europe PMC Pesticides:paraquat Alan Wood's Pesticides Reaxys:3590305 Reaxys 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium IUPAC Paraquat KEGG_COMPOUND 1,1'-Dimethyl-4,4'-bipyridinium KEGG_COMPOUND 1,1'-dimethyl-4,4'-bipyridyldiylium ChemIDplus N,N'-dimethyl-4,4'-bipyridinium ChemIDplus N,N'-dimethyl-4,4'-bipyridinium dication ChemIDplus dimethyl viologen ChemIDplus methyl viologen ion(2+) ChemIDplus paraquat dication ChemIDplus paraquat ion ChemIDplus An ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3. +1 C10H13N2O InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/p+1 QZAYGJVTTNCVMB-UHFFFAOYSA-O 177.22250 177.10224 [NH3+]CCc1c[nH]c2ccc(O)cc12 2-(5-hydroxy-1H-indol-3-yl)ethanaminium chebi_ontology serotonin serotonin cation CHEBI:350546 serotonin(1+) 2-(5-hydroxy-1H-indol-3-yl)ethanaminium IUPAC serotonin UniProt serotonin cation ChEBI 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 chebi_ontology aldose phosphates CHEBI:35131 aldose phosphate aldose phosphates ChEBI chebi_ontology CHEBI:35155 elemental calcium 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 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 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 fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth. fossil fuel chebi_ontology CHEBI:35230 fossil fuel fossil fuel IUPAC 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N 121.15922 121.01975 [NH3+][C@@H](CS)C([O-])=O Gmelin:49993 (2R)-2-ammonio-3-sulfanylpropanoate L-cysteine zwitterion chebi_ontology (2R)-2-ammonio-3-mercaptopropanoate L-cysteine CHEBI:35235 L-cysteine zwitterion Gmelin:49993 Gmelin (2R)-2-ammonio-3-sulfanylpropanoate IUPAC L-cysteine zwitterion IUPAC (2R)-2-ammonio-3-mercaptopropanoate ChEBI L-cysteine UniProt 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 XUJNEKJLAYXESH-UWTATZPHSA-N 121.15922 121.01975 [NH3+][C@H](CS)C([O-])=O Gmelin:2352354 (2S)-2-ammonio-3-sulfanylpropanoate D-cysteine zwitterion chebi_ontology (2S)-2-ammonio-3-mercaptopropanoate D-cysteine CHEBI:35236 D-cysteine zwitterion Gmelin:2352354 Gmelin (2S)-2-ammonio-3-sulfanylpropanoate IUPAC D-cysteine zwitterion IUPAC (2S)-2-ammonio-3-mercaptopropanoate ChEBI D-cysteine UniProt 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N 121.15922 121.01975 [NH3+]C(CS)C([O-])=O Gmelin:49992 2-ammonio-3-sulfanylpropanoate cysteine zwitterion chebi_ontology (+)H3N-CH(CH2SH)-COO(-) 2-ammonio-3-mercaptopropanoate CHEBI:35237 cysteine zwitterion Gmelin:49992 Gmelin 2-ammonio-3-sulfanylpropanoate IUPAC cysteine zwitterion IUPAC (+)H3N-CH(CH2SH)-COO(-) ChEBI 2-ammonio-3-mercaptopropanoate ChEBI The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group. chebi_ontology amino acid zwitterion amino acid zwitterions amino-acid zwitterions CHEBI:35238 amino-acid zwitterion amino acid zwitterion ChEBI amino acid zwitterions ChEBI amino-acid zwitterions ChEBI 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 Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. CHEBI:26468 CHEBI:35268 quaternary ammonium compounds quaternary ammonium salt chebi_ontology quaternary ammonium compound quaternary ammonium salts CHEBI:35273 quaternary ammonium salt quaternary ammonium compounds IUPAC quaternary ammonium salt ChEBI quaternary ammonium compound ChEBI quaternary ammonium salts 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 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 A choline ester formed from choline and a carboxylic acid. +1 C6H13NO2R 131.17290 131.09463 C[N+](C)(C)CCOC([*])=O CHEBI:13245 CHEBI:22227 CHEBI:2463 KEGG:C01777 chebi_ontology acylcholines an acylcholine CHEBI:35287 acylcholine acylcholines ChEBI an acylcholine UniProt 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- and peri-fused polycyclic arenes CHEBI:35300 ortho- and peri-fused polycyclic arene ortho- and peri-fused polycyclic arenes ChEBI deoxy hexoside chebi_ontology deoxy hexosides CHEBI:35315 deoxy hexoside deoxy hexoside ChEBI deoxy hexosides ChEBI A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. 0 C28H38N2O4 InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1 DTGZHCFJNDAHEN-OZEXIGSWSA-N 466.61240 466.28316 [H][C@]1(C[C@@]2([H])NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC CAS:483-17-0 KEGG:C09390 KNApSAcK:C00001835 LINCS:LSM-3808 PMID:11411558 PMID:11913711 PMID:11996324 PMID:12880315 PMID:13437707 PMID:18327911 PMID:20061395 PMID:20495341 PMID:21228475 PMID:2715231 PMID:6716976 Reaxys:100615 7',10,11-trimethoxyemetan-6'-ol Cephaeline chebi_ontology Cephaelin CHEBI:3533 cephaeline CAS:483-17-0 ChemIDplus CAS:483-17-0 KEGG COMPOUND PMID:11411558 Europe PMC PMID:11913711 Europe PMC PMID:11996324 Europe PMC PMID:12880315 Europe PMC PMID:13437707 Europe PMC PMID:18327911 Europe PMC PMID:20061395 Europe PMC PMID:20495341 Europe PMC PMID:21228475 Europe PMC PMID:2715231 Europe PMC PMID:6716976 Europe PMC Reaxys:100615 Reaxys 7',10,11-trimethoxyemetan-6'-ol IUPAC Cephaeline KEGG_COMPOUND Cephaelin ChemIDplus Any drug that enhances the activity of the central nervous system. Wikipedia:Central_nervous_system_stimulants central nervous system stimulant chebi_ontology CNS stimulant analeptic analeptic agent analeptic drug analeptics central stimulant CHEBI:35337 central nervous system stimulant central nervous system stimulant ChEBI CNS stimulant ChEBI analeptic ChEBI analeptic agent ChEBI analeptic drug ChEBI analeptics ChEBI central stimulant ChEBI 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 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 chebi_ontology thiocarboxylates thiocarboxylic acid anions CHEBI:35367 thiocarboxylic acid anion thiocarboxylates ChEBI thiocarboxylic acid anions 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 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 Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. chebi_ontology antidepressant drugs antidepressants thymoanaleptics thymoleptic drugs thymoleptics CHEBI:35469 antidepressant antidepressant drugs ChEBI antidepressants ChEBI thymoanaleptics ChEBI thymoleptic drugs ChEBI thymoleptics 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 loosely defined grouping of drugs that have effects on psychological function. Wikipedia:Psychotropic_drug chebi_ontology psychoactive agent psychoactive drugs psychopharmaceuticals psychotropic drugs CHEBI:35471 psychotropic drug psychoactive agent ChEBI psychoactive drugs ChEBI psychopharmaceuticals ChEBI psychotropic drugs ChEBI A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour. chebi_ontology ataractics tranquilising drug tranquilizing drugs tranquillising agent tranquillizing agents CHEBI:35473 tranquilizing drug ataractics ChEBI tranquilising drug ChEBI tranquilizing drugs ChEBI tranquillising agent ChEBI tranquillizing agents ChEBI Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. chebi_ontology anti-anxiety agents anti-anxiety drugs anxiolytic agents anxiolytics minor tranquilisers minor tranquilizers minor tranquilizing agents CHEBI:35474 anxiolytic drug anti-anxiety agents ChEBI anti-anxiety drugs ChEBI anxiolytic agents ChEBI anxiolytics ChEBI minor tranquilisers ChEBI minor tranquilizers ChEBI minor tranquilizing agents ChEBI Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. chebi_ontology Neuroleptikum antipsychotic agents antipsychotic drug antipsychotic drugs antipsychotics antipsychotiques grosser Tranquilizer major tranquilizers major tranquilizing agents neuroleptic neuroleptic agents neuroleptics neuroleptique neuroleptiques CHEBI:35476 antipsychotic agent Neuroleptikum ChEBI antipsychotic agents ChEBI antipsychotic drug ChEBI antipsychotic drugs ChEBI antipsychotics ChEBI antipsychotiques ChEBI grosser Tranquilizer ChEBI major tranquilizers ChEBI major tranquilizing agents ChEBI neuroleptic ChEBI neuroleptic agents ChEBI neuroleptics ChEBI neuroleptique ChEBI neuroleptiques ChEBI chebi_ontology alkali metal salts CHEBI:35479 alkali metal salt alkali metal salts ChEBI An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. chebi_ontology CHEBI:35480 analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. chebi_ontology CHEBI:35481 non-narcotic analgesic 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 An agent that promotes the excretion of urine through its effects on kidney function. chebi_ontology diuretics CHEBI:35498 diuretic diuretics ChEBI chebi_ontology alkaloid fundamental parents CHEBI:35506 alkaloid fundamental parent alkaloid fundamental parents ChEBI natural product fundamental parents chebi_ontology CHEBI:35507 natural product fundamental parent natural product fundamental parents IUPAC An agent that selectively binds to and activates beta-adrenergic receptors. chebi_ontology beta-adrenergic agonists beta-adrenergic receptor agonist beta-adrenoceptor agonists CHEBI:35522 beta-adrenergic agonist beta-adrenergic agonists ChEBI beta-adrenergic receptor agonist ChEBI beta-adrenoceptor agonists IUPHAR A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. chebi_ontology sympathomimetic sympathomimetics CHEBI:35524 sympathomimetic agent sympathomimetic ChEBI sympathomimetics ChEBI 0 C10H8N2 156.184 156.06875 bipyridine chebi_ontology Bipyridin bipyridyl CHEBI:35545 bipyridine bipyridine IUPAC Bipyridin ChEBI bipyridyl IUPAC 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 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 heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines. 0 C5H4N4 120.112 120.04360 HMDB:HMDB0001366 KEGG:C15587 MetaCyc:PURINE PMID:12865945 PMID:24088627 purine chebi_ontology CHEBI:35584 purine PMID:12865945 Europe PMC PMID:24088627 Europe PMC purine IUPAC The 1H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11210 120.04360 c1nc2c[nH]cnc2n1 Gmelin:2379911 1H-purine chebi_ontology CHEBI:35586 1H-purine Gmelin:2379911 Gmelin 1H-purine ChEBI The 3H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11222 120.04360 c1nc2cnc[nH]c2n1 PMID:6149478 PMID:7178185 PMID:7296170 Reaxys:1210196 3H-purine chebi_ontology CHEBI:35588 3H-purine PMID:6149478 Europe PMC PMID:7178185 Europe PMC PMID:7296170 Europe PMC Reaxys:1210196 Reaxys 3H-purine IUPAC The 9H-tautomer of purine. 0 C5H4N4 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N 120.11222 120.04360 c1ncc2nc[nH]c2n1 Beilstein:606899 CAS:120-73-0 Gmelin:3120 Wikipedia:Purine 9H-purine chebi_ontology CHEBI:35589 9H-purine Beilstein:606899 Beilstein CAS:120-73-0 NIST Chemistry WebBook Gmelin:3120 Gmelin 9H-purine IUPAC 9H-purine UniProt 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 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 Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin. chebi_ontology ARI NERI NRI adrenergic reuptake inhibitor adrenergic reuptake inhibitors adrenergic uptake inhibitors norepinephrine reuptake inhibitor norepinephrine reuptake inhibitors CHEBI:35640 adrenergic uptake inhibitor ARI ChEBI NERI ChEBI NRI ChEBI adrenergic reuptake inhibitor ChEBI adrenergic reuptake inhibitors ChEBI adrenergic uptake inhibitors ChEBI norepinephrine reuptake inhibitor ChEBI norepinephrine reuptake inhibitors ChEBI chebi_ontology terpenoid fundamental parents CHEBI:35662 terpenoid fundamental parent terpenoid fundamental parents ChEBI A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically. chebi_ontology histamine agonists CHEBI:35678 histamine agonist histamine agonists 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 Any organic sulfide in which the sulfur is attached to at least one aromatic group. aryl sulfide chebi_ontology aryl sulfides CHEBI:35683 aryl sulfide aryl sulfide ChEBI aryl sulfides 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 An ether in which the oxygen atom is linked to two ethyl groups. 0 C4H10O InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 RTZKZFJDLAIYFH-UHFFFAOYSA-N 74.12160 74.07316 CCOCC CHEBI:23991 CHEBI:31565 CAS:60-29-7 Drug_Central:4417 Gmelin:25444 KEGG:C13240 KEGG:D01772 PMID:24443836 Reaxys:1696894 Wikipedia:Diethyl_ether 1,1'-oxydiethane Diethyl ether chebi_ontology 1,1'-oxybisethane 3-oxapentane Aether Anesthetic ether Diethylaether Ether Pronarcol R-610 aether aether pro narcosi diethyl oxide ethoxyethane ethyl ether ethyl oxide CHEBI:35702 diethyl ether CAS:60-29-7 ChemIDplus CAS:60-29-7 KEGG COMPOUND CAS:60-29-7 NIST Chemistry WebBook Drug_Central:4417 DrugCentral Gmelin:25444 Gmelin PMID:24443836 Europe PMC Reaxys:1696894 Reaxys 1,1'-oxydiethane IUPAC Diethyl ether KEGG_COMPOUND 1,1'-oxybisethane ChemIDplus 3-oxapentane ChemIDplus Aether ChEBI Anesthetic ether KEGG_COMPOUND Diethylaether ChEBI Ether KEGG_COMPOUND Pronarcol NIST_Chemistry_WebBook R-610 ChEBI aether NIST_Chemistry_WebBook aether pro narcosi ChEBI diethyl oxide ChemIDplus ethoxyethane ChemIDplus ethyl ether ChemIDplus ethyl oxide ChemIDplus 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 central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. chebi_ontology hypnotics hypnotics and sedatives sedative drug sedatives sedatives and hypnotics CHEBI:35717 sedative hypnotics ChEBI hypnotics and sedatives ChEBI sedative drug ChEBI sedatives ChEBI sedatives and hypnotics ChEBI 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 Compounds in which one oxygen of a carboxy group has been replaced by divalent sulfur; RC(=O)SH or RC(=S)OH. monothiocarboxylic acid monothiocarboxylic acids chebi_ontology monothiocarboxylic acids thio acid CHEBI:35737 monothiocarboxylic acid monothiocarboxylic acid ChEBI monothiocarboxylic acids IUPAC monothiocarboxylic acids ChEBI thio acid ChEBI Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached. PMID:18606873 chebi_ontology glycerolipids CHEBI:35741 glycerolipid PMID:18606873 Europe PMC glycerolipids 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 arsenic oxoanion chebi_ontology arsenic oxoanions oxoanions of arsenic CHEBI:35776 arsenic oxoanion arsenic oxoanion ChEBI arsenic oxoanions ChEBI oxoanions of arsenic 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 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 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 A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. chebi_ontology gout suppressants CHEBI:35845 gout suppressant gout suppressants 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 A pentenoic acid having the double bond at position 2. 0 C5H8O2 InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7) YIYBQIKDCADOSF-UHFFFAOYSA-N 100.11582 100.05243 [H]C(CC)=CC(O)=O CAS:626-98-2 FooDB:FDB010036 LIPID_MAPS_instance:LMFA01030005 PMID:33485890 PMID:34088089 PMID:37237688 PMID:37279800 Reaxys:1720310 pent-2-enoic acid chebi_ontology 2-pentenoic acid C5:1, n-3 Pent-2-ensaeure Propylidenessigsaeure alpha-Butylen-alpha-carbonsaeure alpha-pentenoic acid alpha.beta-Pentensaeure beta-Aethyl-acrylsaeure beta-Aethylacrylsaeure beta-ethyl acrylic acid CHEBI:35939 pent-2-enoic acid CAS:626-98-2 ChemIDplus CAS:626-98-2 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA01030005 LIPID MAPS PMID:33485890 Europe PMC PMID:34088089 Europe PMC PMID:37237688 Europe PMC PMID:37279800 Europe PMC Reaxys:1720310 Reaxys pent-2-enoic acid IUPAC 2-pentenoic acid NIST_Chemistry_WebBook C5:1, n-3 ChEBI Pent-2-ensaeure ChEBI Propylidenessigsaeure ChEBI alpha-Butylen-alpha-carbonsaeure ChEBI alpha-pentenoic acid ChEBI alpha.beta-Pentensaeure ChEBI beta-Aethyl-acrylsaeure ChEBI beta-Aethylacrylsaeure ChEBI beta-ethyl acrylic acid LIPID_MAPS 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 Any amino acid carrying two amino groups. chebi_ontology CHEBI:35987 diamino acid A short-chain, saturated fatty acid anion that is the conjugate base of any pentenoic acid, formed by deprotonation of the carboxylic acid group. pentenoate chebi_ontology pentenoates CHEBI:36030 pentenoate pentenoate ChEBI pentenoates ChEBI A drug used to treat or prevent microbial infections. chebi_ontology antimicrobial drugs CHEBI:36043 antimicrobial drug antimicrobial drugs ChEBI 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 macrocyclic tetrapyrroles chebi_ontology cyclic tetrapyrroles macrocyclic tetrapyrrole CHEBI:36309 cyclic tetrapyrrole macrocyclic tetrapyrroles IUPAC cyclic tetrapyrroles ChEBI macrocyclic tetrapyrrole ChEBI Any glycerophospholipid having the polar alcohol inositol esterified to the phosphate group at the sn-3 position of the glycerol backbone. CHEBI:26040 CHEBI:35770 PMID:14706866 chebi_ontology GPI glycerophosphoinositols CHEBI:36315 glycerophosphoinositol PMID:14706866 Europe PMC GPI ChEBI glycerophosphoinositols 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 An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. 0 C18H26ClN3 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) WHTVZRBIWZFKQO-UHFFFAOYSA-N 319.87200 319.18153 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 CAS:54-05-7 DrugBank:DB00608 Drug_Central:607 Gmelin:781126 HMDB:HMDB0014746 KEGG:C07625 KEGG:D02366 LINCS:LSM-1901 PDBeChem:CLQ PMID:11198399 PMID:17594118 PMID:18052874 PMID:19426658 PMID:23288916 PMID:23580861 PMID:23635029 PMID:23644906 PMID:23706562 PMID:23852712 PMID:23891850 PMID:25285162 Patent:DE683692 Patent:US2233970 Reaxys:482809 Wikipedia:Chloroquine Chloroquine N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine chebi_ontology Aralen Artrichin Bemaphate Capquin Chlorochin N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine Nivaquine B Resoquine Reumachlor Sanoquin chloroquine chloroquinum cloroquina CHEBI:3638 chloroquine CAS:54-05-7 ChemIDplus CAS:54-05-7 KEGG COMPOUND CAS:54-05-7 NIST Chemistry WebBook Drug_Central:607 DrugCentral Gmelin:781126 Gmelin PMID:11198399 Europe PMC PMID:17594118 Europe PMC PMID:18052874 Europe PMC PMID:19426658 Europe PMC PMID:23288916 Europe PMC PMID:23580861 Europe PMC PMID:23635029 Europe PMC PMID:23644906 Europe PMC PMID:23706562 Europe PMC PMID:23852712 Europe PMC PMID:23891850 Europe PMC PMID:25285162 Europe PMC Reaxys:482809 Reaxys Chloroquine KEGG_COMPOUND N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine IUPAC Aralen DrugBank Artrichin DrugBank Bemaphate DrugBank Capquin DrugBank Chlorochin ChemIDplus N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine NIST_Chemistry_WebBook Nivaquine B DrugBank Resoquine DrugBank Reumachlor DrugBank Sanoquin DrugBank chloroquine ChemIDplus chloroquine WHO_MedNet chloroquinum ChemIDplus cloroquina ChemIDplus 0 C25H32N2 InChI=1S/C25H32N2/c1-2-18-17-27-14-12-20-8-4-6-10-23(20)25(27)16-21(18)15-24-22-9-5-3-7-19(22)11-13-26-24/h3-10,18,21,24-26H,2,11-17H2,1H3/t18-,21-,24+,25-/m0/s1 KSQYVPHTTWSOHG-CKBKHPSWSA-N 360.53506 360.25655 [H][C@]1(C[C@@]2([H])NCCc3ccccc23)C[C@]2([H])N(CCc3ccccc23)C[C@@H]1CC emetan chebi_ontology CHEBI:36380 emetan emetan IUPAC chebi_ontology mancude organic heterotricyclic parents mancude-ring organic heterotricyclic parents CHEBI:36416 mancude organic heterotricyclic parent mancude organic heterotricyclic parents ChEBI mancude-ring organic heterotricyclic parents 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 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 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 fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. 0 C7H5F3 InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H GETTZEONDQJALK-UHFFFAOYSA-N 146.10980 146.03433 FC(F)(F)c1ccccc1 CAS:98-08-8 Gmelin:3670 PMID:11671431 PMID:20958547 PMID:24267073 PMID:24669762 Reaxys:1906908 (trifluoromethyl)benzene chebi_ontology C6H5CF3 CF3Ph PhCF3 alpha,alpha,alpha-trifluorotoluene benzotrifluoride omega-trifluorotoluene phenylfluoroform trifluoromethylbenzene CHEBI:36810 (trifluoromethyl)benzene CAS:98-08-8 ChemIDplus CAS:98-08-8 NIST Chemistry WebBook Gmelin:3670 Gmelin PMID:11671431 Europe PMC PMID:20958547 Europe PMC PMID:24267073 Europe PMC PMID:24669762 Europe PMC Reaxys:1906908 Reaxys (trifluoromethyl)benzene IUPAC C6H5CF3 ChEBI CF3Ph ChEBI PhCF3 ChEBI alpha,alpha,alpha-trifluorotoluene NIST_Chemistry_WebBook benzotrifluoride ChemIDplus omega-trifluorotoluene NIST_Chemistry_WebBook phenylfluoroform NIST_Chemistry_WebBook trifluoromethylbenzene ChemIDplus 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 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 chebi_ontology 11-hydroxy steroids CHEBI:36841 11-hydroxy steroid 11-hydroxy steroids ChEBI chebi_ontology 5-hydroxy steroids CHEBI:36848 5-hydroxy steroid 5-hydroxy steroids ChEBI chebi_ontology 14-hydroxy steroids CHEBI:36860 14-hydroxy steroid 14-hydroxy steroids ChEBI A 14-hydroxy steroid in which the hydroxy group has a beta-configuration. chebi_ontology 14beta-hydroxy steroids CHEBI:36862 14beta-hydroxy steroid 14beta-hydroxy steroids ChEBI chebi_ontology CHEBI:36892 elemental fluorine chebi_ontology CHEBI:36893 elemental iodine chebi_ontology CHEBI:36894 elemental bromine 0 F 18.998 18.99840 chebi_ontology atomic fluorine CHEBI:36895 monoatomic fluorine atomic fluorine ChEBI 0 Br 79.904 78.91834 chebi_ontology atomic bromine CHEBI:36896 monoatomic bromine atomic bromine ChEBI 0 I 126.904 126.90447 chebi_ontology atomic iodine CHEBI:36897 monoatomic iodine atomic iodine 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 antimony molecular entity chebi_ontology antimony compounds antimony molecular entities CHEBI:36919 antimony molecular entity antimony molecular entity ChEBI antimony compounds ChEBI antimony molecular entities ChEBI chebi_ontology antimony oxoacids oxoacids of antimony CHEBI:36920 antimony oxoacid antimony oxoacids ChEBI oxoacids of antimony ChEBI antimony oxoanion chebi_ontology antimony oxoanions oxoanions of antimony CHEBI:36921 antimony oxoanion antimony oxoanion ChEBI antimony oxoanions ChEBI oxoanions of antimony 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 ribonucleoside 5'-phosphates CHEBI:37015 ribonucleoside 5'-phosphate ribonucleoside 5'-phosphates ChEBI chebi_ontology amino acid anion amino acid anions amino-acid anions CHEBI:37022 amino-acid anion amino acid anion ChEBI amino acid anions ChEBI amino-acid anions ChEBI chebi_ontology purine ribonucleoside 5'-triphosphates CHEBI:37045 purine ribonucleoside 5'-triphosphate purine ribonucleoside 5'-triphosphates ChEBI chebi_ontology ribonucleoside 5'-triphosphates CHEBI:37076 ribonucleoside 5'-triphosphate ribonucleoside 5'-triphosphates ChEBI chebi_ontology adenosine 5'-phosphates CHEBI:37096 adenosine 5'-phosphate adenosine 5'-phosphates ChEBI A compound containing at least one carbon-bromine bond. 0 BrR 79.904 78.91834 *Br MetaCyc:Bromide Wikipedia:Organobromine_compound organobromine compound chebi_ontology an organobromine molecule bromoorganic compound organobromide organobromide compound organobromide compounds organobromides organobromine compounds CHEBI:37141 organobromine compound organobromine compound ChEBI an organobromine molecule UniProt bromoorganic compound ChEBI organobromide ChEBI organobromide compound ChEBI organobromide compounds ChEBI organobromides ChEBI organobromine 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 A polysaccharide composed of glucose residues. C12H22O11(C6H10O5)n CHEBI:24255 CHEBI:5392 CAS:9037-91-6 KEGG:C01379 Glucan glucan chebi_ontology glucans CHEBI:37163 glucan CAS:9037-91-6 ChemIDplus Glucan KEGG_COMPOUND glucan IUPAC glucans ChEBI Glycans composed of a single type of monosaccharide residue. They are named by replacing the ending '-ose' of the sugar by '-an'. homopolysaccharide chebi_ontology homoglycan homopolysaccharides CHEBI:37164 homopolysaccharide homopolysaccharide IUPAC homoglycan IUPAC homopolysaccharides 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:37253 elemental zinc chebi_ontology CHEBI:37404 elemental copper A heterodetic cyclic peptide consisting of eight amino acid residues and containing a thioether bridge between a cysteine and a tryptophan residue. It is found in a number of poisonous mushrooms, including Amanita phalloides (the death cap), Galerina marginata, and and Conocybe filaris. 0 C39H54N10O14S InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64+/m0/s1 CIORWBWIBBPXCG-SXZCQOKQSA-N 918.97106 918.35417 [H][C@]12Cc3c([nH]c4cc(O)ccc34)[S@](=O)C[C@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)[C@@H](O)CO)C(=O)N2 CHEBI:10207 CHEBI:37414 CAS:23109-05-9 KEGG:C08438 KNApSAcK:C00001516 PMID:109306 PMID:17525082 PMID:19556115 PMID:20529816 PMID:23763309 PMID:6208374 PMID:6630208 PMID:9093889 Reaxys:1071138 Wikipedia:Alpha-amanitin 1,8-anhydro-S(1),C(2.5)-cyclo[L-cysteinyl-L-asparaginyl-trans-4-hydroxy-L-prolyl-(R)-4,5-dihydroxy-L-isoleucyl-6-hydroxy-L-tryptophylglycyl-L-isoleucylglycine] (R)-S(1)-oxide alpha-Amanitin chebi_ontology alpha-Amanitine alpha-Amatoxin CHEBI:37415 alpha-amanitin CAS:23109-05-9 ChemIDplus CAS:23109-05-9 KEGG COMPOUND PMID:109306 Europe PMC PMID:17525082 Europe PMC PMID:19556115 Europe PMC PMID:20529816 Europe PMC PMID:23763309 Europe PMC PMID:6208374 Europe PMC PMID:6630208 Europe PMC PMID:9093889 Europe PMC Reaxys:1071138 Reaxys 1,8-anhydro-S(1),C(2.5)-cyclo[L-cysteinyl-L-asparaginyl-trans-4-hydroxy-L-prolyl-(R)-4,5-dihydroxy-L-isoleucyl-6-hydroxy-L-tryptophylglycyl-L-isoleucylglycine] (R)-S(1)-oxide IUPAC alpha-Amanitin KEGG_COMPOUND alpha-Amanitine ChemIDplus alpha-Amatoxin ChemIDplus 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 0 C20H34 InChI=1S/C20H34/c1-11-6-14-7-12(2)9-16-18(15(14)8-11)13(3)10-17-19(16)20(17,4)5/h11-19H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1 CGVXVPQJMYMMIH-HKDZDBKOSA-N 274.485 274.26605 C1[C@@]2([C@@]([C@]3([C@@](C[C@H](C3)C)(C[C@@H]1C)[H])[H])([C@H](C)C[C@@]4([C@]2(C4(C)C)[H])[H])[H])[H] CAS:67707-87-3 (1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene tigliane chebi_ontology Tiglian CHEBI:37526 tigliane CAS:67707-87-3 ChemIDplus (1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene IUPAC tigliane ChEBI Tiglian ChEBI 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 Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. PMID:17661218 PMID:19944127 PMID:27007372 phorbol ester chebi_ontology CHEBI:37532 phorbol ester PMID:17661218 Europe PMC PMID:19944127 Europe PMC PMID:27007372 Europe PMC phorbol ester 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 A lactone having a five-membered lactone ring. 0 C4H3O2R3 83.066 83.01330 O1C(C(C(C1=O)*)*)* CHEBI:13194 CHEBI:18937 CHEBI:22971 CHEBI:541 PMID:18789684 chebi_ontology 1,4-Lactone 1,4-lactones a 1,4-lactone butyrolactones gamma-Laktone gamma-lactona gamma-lactonas gamma-lactones CHEBI:37581 gamma-lactone PMID:18789684 Europe PMC 1,4-Lactone KEGG_COMPOUND 1,4-lactones ChEBI a 1,4-lactone UniProt butyrolactones ChEBI gamma-Laktone ChEBI gamma-lactona ChEBI gamma-lactonas ChEBI gamma-lactones 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 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 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). chebi_ontology BChE inhibitor BChE inhibitors BtChoEase inhibitor BtChoEase inhibitors EC 3.1.1.8 (cholinesterase) inhibitors EC 3.1.1.8 inhibitor EC 3.1.1.8 inhibitors anticholineesterase inhibitor anticholineesterase inhibitors anticholinesterase anticholinesterases benzoylcholinesterase inhibitor benzoylcholinesterase inhibitors butyrylcholine esterase inhibitor butyrylcholine esterase inhibitors butyrylcholinesterase inhibitor butyrylcholinesterase inhibitors choline esterase II (unspecific) inhibitor choline esterase II (unspecific) inhibitors choline esterase inhibitor choline esterase inhibitors cholinesterase (EC 3.1.1.8) inhibitor cholinesterase (EC 3.1.1.8) inhibitors cholinesterase inhibitor non-specific cholinesterase inhibitor non-specific cholinesterase inhibitors propionylcholinesterase inhibitor propionylcholinesterase inhibitors pseudocholinesterase inhibitor pseudocholinesterase inhibitors CHEBI:37733 EC 3.1.1.8 (cholinesterase) inhibitor BChE inhibitor ChEBI BChE inhibitors ChEBI BtChoEase inhibitor ChEBI BtChoEase inhibitors ChEBI EC 3.1.1.8 (cholinesterase) inhibitors ChEBI EC 3.1.1.8 inhibitor ChEBI EC 3.1.1.8 inhibitors ChEBI anticholineesterase inhibitor ChEBI anticholineesterase inhibitors ChEBI anticholinesterase ChEBI anticholinesterases ChEBI benzoylcholinesterase inhibitor ChEBI benzoylcholinesterase inhibitors ChEBI butyrylcholine esterase inhibitor ChEBI butyrylcholine esterase inhibitors ChEBI butyrylcholinesterase inhibitor ChEBI butyrylcholinesterase inhibitors ChEBI choline esterase II (unspecific) inhibitor ChEBI choline esterase II (unspecific) inhibitors ChEBI choline esterase inhibitor ChEBI choline esterase inhibitors ChEBI cholinesterase (EC 3.1.1.8) inhibitor ChEBI cholinesterase (EC 3.1.1.8) inhibitors ChEBI cholinesterase inhibitor ChEBI non-specific cholinesterase inhibitor ChEBI non-specific cholinesterase inhibitors ChEBI propionylcholinesterase inhibitor ChEBI propionylcholinesterase inhibitors ChEBI pseudocholinesterase inhibitor ChEBI pseudocholinesterase inhibitors ChEBI CHEBI:26019 chebi_ontology CHEBI:37734 phosphoric ester Any glycerolipid having a phosphate group ester-linked to a terminal carbon of the glycerol backbone. CHEBI:24362 CHEBI:5456 PMID:17393491 chebi_ontology glycerophospholipids phosphatide phosphatides phosphoglyceride phosphoglycerides CHEBI:37739 glycerophospholipid PMID:17393491 Europe PMC glycerophospholipids ChEBI phosphatide ChEBI phosphatides ChEBI phosphoglyceride ChEBI phosphoglycerides ChEBI halogen oxide chebi_ontology halogen oxides CHEBI:37749 halogen oxide halogen oxide ChEBI halogen oxides ChEBI chebi_ontology chlorine oxides CHEBI:37750 chlorine oxide chlorine oxides 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 fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eight carbon atoms. 0 C8H18O 130.228 130.13577 CAS:29063-28-3 chebi_ontology Oktanol Oktylalkohol hydoxyoctane hydoxyoctanes n-octanol octanols octyl alcohol CHEBI:37868 octanol CAS:29063-28-3 ChEBI Oktanol ChEBI Oktylalkohol ChEBI hydoxyoctane ChEBI hydoxyoctanes ChEBI n-octanol ChEBI octanols ChEBI octyl alcohol ChEBI An agent that selectively binds to and activates adrenergic receptors. chebi_ontology adrenergic agonists adrenergic receptor agonist adrenoceptor agonists adrenomimetic adrenomimetics CHEBI:37886 adrenergic agonist adrenergic agonists ChEBI adrenergic receptor agonist ChEBI adrenoceptor agonists IUPHAR adrenomimetic ChEBI adrenomimetics ChEBI An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. chebi_ontology adrenergic antagonists adrenergic blockaders adrenergic blocker adrenergic blockers adrenergic receptor blockaders adrenoceptor antagonists CHEBI:37887 adrenergic antagonist adrenergic antagonists ChEBI adrenergic blockaders ChEBI adrenergic blocker ChEBI adrenergic blockers ChEBI adrenergic receptor blockaders ChEBI adrenoceptor antagonists IUPHAR An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. chebi_ontology alpha-adrenergic antagonists alpha-adrenergic blocker alpha-adrenergic blockers alpha-adrenergic receptor blockaders alpha-adrenoceptor antagonists CHEBI:37890 alpha-adrenergic antagonist alpha-adrenergic antagonists ChEBI alpha-adrenergic blocker ChEBI alpha-adrenergic blockers ChEBI alpha-adrenergic receptor blockaders ChEBI alpha-adrenoceptor antagonists IUPHAR 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 H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. PMID:22035879 chebi_ontology H1 antihistaminics H1 receptor antagonists H1 receptor blockaders H1-receptor antagonists H1-receptor blocker H1-receptor blockers classical antihistamines classical antihistaminics CHEBI:37955 H1-receptor antagonist PMID:22035879 Europe PMC H1 antihistaminics ChEBI H1 receptor antagonists IUPHAR H1 receptor blockaders ChEBI H1-receptor antagonists ChEBI H1-receptor blocker ChEBI H1-receptor blockers ChEBI classical antihistamines ChEBI classical antihistaminics ChEBI Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. PMID:22035879 Wikipedia:Antihistamines chebi_ontology antihistamine antihistamines antihistaminico antihistaminics histamine receptor blocker histamine receptor blockers CHEBI:37956 histamine antagonist PMID:22035879 Europe PMC antihistamine ChEBI antihistamines ChEBI antihistaminico ChEBI antihistaminics ChEBI histamine receptor blocker ChEBI histamine receptor blockers ChEBI Drugs used for their actions on histaminergic systems. chebi_ontology histamine agents histamine drugs histaminergic agent histaminergic agents histaminergic drugs CHEBI:37957 histaminergic drug histamine agents ChEBI histamine drugs ChEBI histaminergic agent ChEBI histaminergic agents ChEBI histaminergic drugs ChEBI Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter. chebi_ontology adrenergic agents adrenergic drug adrenergic drugs adrenergic neuron agents adrenergics CHEBI:37962 adrenergic agent adrenergic agents ChEBI adrenergic drug ChEBI adrenergic drugs ChEBI adrenergic neuron agents ChEBI adrenergics 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 A compound composed of two or more pyrrole units. Beilstein:8538310 chebi_ontology PPys poly(pyrrole)s polypyrroles CHEBI:38077 polypyrrole Beilstein:8538310 Beilstein PPys ChEBI poly(pyrrole)s ChEBI polypyrroles ChEBI Any member of the class of cardenolides with glycosyl residues attached to position 3. CHEBI:23035 CHEBI:38080 CHEBI:38082 chebi_ontology 5alpha-cardenolide glycoside 5beta-cardenolide glycoside CHEBI:38092 cardenolide glycoside 5alpha-cardenolide glycoside ChEBI 5beta-cardenolide glycoside ChEBI 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 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 A drug that has a strengthening effect on the heart or that can increase cardiac output. chebi_ontology cardiotonic drugs CHEBI:38147 cardiotonic drug cardiotonic drugs 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 chebi_ontology 5beta-hydroxy steroids CHEBI:38195 5beta-hydroxy steroid 5beta-hydroxy steroids ChEBI 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 chebi_ontology CHEBI:38222 hydrocarbyl anion Any of a class of heterocyclic amines having a saturated five-membered ring. CHEBI:26922 CHEBI:38191 chebi_ontology CHEBI:38260 pyrrolidines chebi_ontology pyrrolidinones CHEBI:38275 pyrrolidinone pyrrolidinones 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 Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. chebi_ontology cholinergic agent cholinergic drugs cholinomimetic CHEBI:38323 cholinergic drug cholinergic agent ChEBI cholinergic drugs ChEBI cholinomimetic ChEBI Any drug that binds to and activates cholinergic receptors. chebi_ontology acetylcholine agonist acetylcholine agonists acetylcholine receptor agonist cholinergic agonists cholinomimetic cholinomimetics CHEBI:38324 cholinergic agonist acetylcholine agonist ChEBI acetylcholine agonists ChEBI acetylcholine receptor agonist IUPHAR cholinergic agonists ChEBI cholinomimetic ChEBI cholinomimetics ChEBI Any drug that binds to and activates a muscarinic cholinergic receptor. chebi_ontology muscarinic acetylcholine receptor agonist muscarinic agonists muscarinic cholinergic agonist muscarinic cholinergic agonists CHEBI:38325 muscarinic agonist muscarinic acetylcholine receptor agonist ChEBI muscarinic agonists ChEBI muscarinic cholinergic agonist ChEBI muscarinic cholinergic agonists ChEBI chebi_ontology CHEBI:38329 oxazolidines A pyrimidine carrying one or more oxo substituents. chebi_ontology pyrimidones CHEBI:38337 pyrimidone pyrimidones ChEBI A pent-3-enoic acid in trans- configuration. 0 C5H8O2 InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+ YIYBQIKDCADOSF-ONEGZZNKSA-N 100.11582 100.05243 CC\C=C\C(O)=O CAS:13991-37-2 LIPID_MAPS_instance:LMFA01030005 Reaxys:1720312 (2E)-pent-2-enoic acid chebi_ontology (2E)-2-pentenoic acid (E)-2-pentenic acid (E)-2-pentenoic acid (E)-pent-2-en-1-oic acid 5:1, n-3 trans C5:1, n-3 trans E-2-Pentencarbonsaeure Pent-2t-ensaeure trans-2-pentenic acid trans-2-pentenoic acid trans-Pent-2-ensaeure trans-alpha,beta-penteneoic acid CHEBI:38366 trans-pent-2-enoic acid CAS:13991-37-2 ChemIDplus CAS:13991-37-2 NIST Chemistry WebBook LIPID_MAPS_instance:LMFA01030005 LIPID MAPS Reaxys:1720312 Reaxys (2E)-pent-2-enoic acid IUPAC (2E)-2-pentenoic acid NIST_Chemistry_WebBook (E)-2-pentenic acid ChEBI (E)-2-pentenoic acid NIST_Chemistry_WebBook (E)-pent-2-en-1-oic acid ChemIDplus 5:1, n-3 trans ChEBI C5:1, n-3 trans ChEBI E-2-Pentencarbonsaeure ChEBI Pent-2t-ensaeure ChEBI trans-2-pentenic acid ChemIDplus trans-2-pentenoic acid ChEBI trans-Pent-2-ensaeure ChEBI trans-alpha,beta-penteneoic acid NIST_Chemistry_WebBook Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR(1)R(2), where ROH is an alcohol, oxime, or phenol and R(1) is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief. chebi_ontology carbamate insecticides CHEBI:38461 carbamate insecticide carbamate insecticides ChEBI An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Wikipedia:Acetylcholinesterase_inhibitor chebi_ontology AChEI AcCholE inhibitor AcCholE inhibitors EC 3.1.1.7 (acetylcholinesterase) inhibitors EC 3.1.1.7 inhibitor EC 3.1.1.7 inhibitors acetyl.beta-methylcholinesterase inhibitor acetyl.beta-methylcholinesterase inhibitors acetylcholine acetylhydrolase inhibitor acetylcholine acetylhydrolase inhibitors acetylcholine esterase inhibitor acetylcholine hydrolase inhibitor acetylcholine hydrolase inhibitors acetylcholinesterase (EC 3.1.1.7) inhibitor acetylcholinesterase (EC 3.1.1.7) inhibitors acetylcholinesterase inhibitor acetylcholinesterase inhibitors acetylthiocholinesterase inhibitor acetylthiocholinesterase inhibitors choline esterase I inhibitor choline esterase I inhibitors cholinesterase inhibitor cholinesterase inhibitors true cholinesterase inhibitor true cholinesterase inhibitors CHEBI:38462 EC 3.1.1.7 (acetylcholinesterase) inhibitor AChEI ChEBI AcCholE inhibitor ChEBI AcCholE inhibitors ChEBI EC 3.1.1.7 (acetylcholinesterase) inhibitors ChEBI EC 3.1.1.7 inhibitor ChEBI EC 3.1.1.7 inhibitors ChEBI acetyl.beta-methylcholinesterase inhibitor ChEBI acetyl.beta-methylcholinesterase inhibitors ChEBI acetylcholine acetylhydrolase inhibitor ChEBI acetylcholine acetylhydrolase inhibitors ChEBI acetylcholine esterase inhibitor ChEBI acetylcholine hydrolase inhibitor ChEBI acetylcholine hydrolase inhibitors ChEBI acetylcholinesterase (EC 3.1.1.7) inhibitor ChEBI acetylcholinesterase (EC 3.1.1.7) inhibitors ChEBI acetylcholinesterase inhibitor ChEBI acetylcholinesterase inhibitors ChEBI acetylthiocholinesterase inhibitor ChEBI acetylthiocholinesterase inhibitors ChEBI choline esterase I inhibitor ChEBI choline esterase I inhibitors ChEBI cholinesterase inhibitor ChEBI cholinesterase inhibitors ChEBI true cholinesterase inhibitor ChEBI true cholinesterase inhibitors ChEBI chebi_ontology isoquinoline alkaloid fundamental parents CHEBI:38515 isoquinoline alkaloid fundamental parent isoquinoline alkaloid fundamental parents ChEBI 0 C3H7NOS InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3 TYEVWCPZVQACAE-UHFFFAOYSA-N 105.15982 105.02484 CSC(C)=NO Beilstein:1901214 CAS:13749-94-5 methyl N-hydroxyethanimidothioate chebi_ontology 1-(Methylthio)acetaldehyde oxime 1-(Methylthio)acetaldoxime Methomyl oxime Methyl N-hydroxyacetimidothioate Methyl N-hydroxyethanimidothioate Methyl thioacetohydroxamate CHEBI:38534 1-(methylsulfanyl)acetaldoxime Beilstein:1901214 Beilstein CAS:13749-94-5 ChemIDplus methyl N-hydroxyethanimidothioate IUPAC 1-(Methylthio)acetaldehyde oxime ChemIDplus 1-(Methylthio)acetaldoxime ChemIDplus Methomyl oxime ChemIDplus Methyl N-hydroxyacetimidothioate ChemIDplus Methyl N-hydroxyethanimidothioate ChemIDplus Methyl thioacetohydroxamate ChemIDplus The parent structure of the diazines. 0 C4H4N2 80.088 80.03745 chebi_ontology Diazin CHEBI:38627 diazine Diazin ChEBI CHEBI:22503 CHEBI:24792 chebi_ontology aminoalkylindoles CHEBI:38631 aminoalkylindole aminoalkylindoles 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 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 chebi_ontology RyR modulator ryanodine receptor modulators ryanodine-sensitive calcium channel modulator ryanodine-sensitive calcium-release channel modulator CHEBI:38809 ryanodine receptor modulator RyR modulator ChEBI ryanodine receptor modulators ChEBI ryanodine-sensitive calcium channel modulator ChEBI ryanodine-sensitive calcium-release channel modulator ChEBI Compounds consisting wholly of fluorine and carbon. fluorocarbon fluorocarbons chebi_ontology fluorocarbons CHEBI:38824 fluorocarbon fluorocarbon ChEBI fluorocarbons IUPAC fluorocarbons ChEBI 0 CF4 InChI=1S/CF4/c2-1(3,4)5 TXEYQDLBPFQVAA-UHFFFAOYSA-N 88.00431 87.99361 FC(F)(F)F Beilstein:1697288 CAS:75-73-0 Gmelin:2016 tetrafluoromethane chebi_ontology CF4 Freon 14 Halon 14 Tetrafluorkohlenstoff Tetrafluormethan carbon tetrafluoride perfluoromethane tetrafluoridocarbon tetrafluorocarbon CHEBI:38825 tetrafluoromethane Beilstein:1697288 Beilstein CAS:75-73-0 ChemIDplus CAS:75-73-0 NIST Chemistry WebBook Gmelin:2016 Gmelin tetrafluoromethane IUPAC CF4 IUPAC Freon 14 NIST_Chemistry_WebBook Halon 14 NIST_Chemistry_WebBook Tetrafluorkohlenstoff ChEBI Tetrafluormethan ChEBI carbon tetrafluoride ChemIDplus perfluoromethane NIST_Chemistry_WebBook tetrafluoridocarbon IUPAC tetrafluorocarbon ChemIDplus Substance which produces loss of feeling or sensation. anaesthetic chebi_ontology Anaesthetika Anaesthetikum anaesthetics anesthetic agent anesthetic drug anesthetics CHEBI:38867 anaesthetic anaesthetic IUPAC Anaesthetika ChEBI Anaesthetikum ChEBI anaesthetics ChEBI anesthetic agent ChEBI anesthetic drug ChEBI anesthetics ChEBI Substance that produces loss of consciousness. general anaesthetic chebi_ontology Allgemeinanaesthetika Allgemeinanaesthetikum general anaesthetics general anesthetics CHEBI:38869 general anaesthetic general anaesthetic IUPAC Allgemeinanaesthetika ChEBI Allgemeinanaesthetikum ChEBI general anaesthetics ChEBI general anesthetics ChEBI chebi_ontology Inhalationsanaesthetika Inhalationsanaesthetikum Inhalationsnarkotika Inhalationsnarkotikum anesthetic gases inhalation anesthetics CHEBI:38870 inhalation anaesthetic Inhalationsanaesthetika ChEBI Inhalationsanaesthetikum ChEBI Inhalationsnarkotika ChEBI Inhalationsnarkotikum ChEBI anesthetic gases ChEBI inhalation anesthetics ChEBI chebi_ontology dibenzothiepines CHEBI:38924 dibenzothiepine dibenzothiepines ChEBI An alkaloid containing an indole skeleton. CHEBI:24795 CHEBI:5901 KEGG:C06073 Wikipedia:Indole_alkaloid Indole alkaloid chebi_ontology indole alkaloids CHEBI:38958 indole alkaloid Indole alkaloid KEGG_COMPOUND indole alkaloids ChEBI Ca 40.078 39.96259 calcium cation chebi_ontology calcium cations CHEBI:39123 calcium cation calcium cation ChEBI calcium cations ChEBI 0 Ca 40.078 39.96259 calcium ion chebi_ontology calcium ions CHEBI:39124 calcium ion calcium ion ChEBI calcium ions ChEBI 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 A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration. 0 C10H14N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1 SNICXCGAKADSCV-SNVBAGLBSA-N 162.23160 162.11570 CN1CCC[C@@H]1c1cccnc1 Beilstein:4666243 Beilstein:82110 CAS:25162-00-9 KEGG:C16386 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine chebi_ontology (+)-nicotine (R)-3-(1-methyl-2-pyrrolidinyl)pyridine d-nicotine pseudonicotine CHEBI:39162 (R)-nicotine Beilstein:4666243 ChemIDplus Beilstein:82110 Beilstein CAS:25162-00-9 ChemIDplus 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine IUPAC (+)-nicotine ChemIDplus (R)-3-(1-methyl-2-pyrrolidinyl)pyridine ChemIDplus d-nicotine ChemIDplus pseudonicotine ChemIDplus 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 haloalkane that is methane in which one (or more) of the hydrogens have been replaced by a halogen atom/halogen atoms. halomethane chebi_ontology halomethanes CHEBI:39279 halomethane halomethane ChEBI halomethanes ChEBI A halomethane that is methane in which one or more hydrogens has been replaced by fluorine. chebi_ontology CHEBI:39281 fluoromethanes 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 Any compound having a pyrimidine as part of its structure. CHEBI:13681 CHEBI:26448 chebi_ontology CHEBI:39447 pyrimidines 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 An ether that is the methyl ether derivative of ethanol. 0 C3H8O InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3 XOBKSJJDNFUZPF-UHFFFAOYSA-N 60.09500 60.05751 CCOC CAS:540-67-0 Gmelin:163978 PDBeChem:2ME PMID:12662033 Patent:KR20080019002 Reaxys:1730785 Wikipedia:Methoxyethane METHOXYETHANE methoxyethane chebi_ontology 1-methoxyethane Aethylmethylaether C2H5OCH3 Methoxyethan Methylaethylaether methyl ethyl ether CHEBI:39832 methoxyethane CAS:540-67-0 ChemIDplus CAS:540-67-0 NIST Chemistry WebBook Gmelin:163978 Gmelin PMID:12662033 Europe PMC Reaxys:1730785 Reaxys METHOXYETHANE PDBeChem methoxyethane IUPAC 1-methoxyethane NIST_Chemistry_WebBook Aethylmethylaether ChEBI C2H5OCH3 NIST_Chemistry_WebBook Methoxyethan ChEBI Methylaethylaether ChEBI methyl ethyl ether ChemIDplus KEGG:C02019 Cyclic ketone cyclic ketones chebi_ontology CHEBI:3992 cyclic ketone Cyclic ketone KEGG_COMPOUND cyclic ketones IUPAC The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. 0 C21H21N InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 JJCFRYNCJDLXIK-UHFFFAOYSA-N 287.39810 287.16740 CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 CHEBI:111005 CHEBI:605605 Beilstein:1348386 CAS:129-03-3 DrugBank:DB00434 Drug_Central:765 KEGG:C06935 KEGG:D07765 LINCS:LSM-5419 PMID:10843226 Patent:US3014911 Wikipedia:Cyproheptadine 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine CYPROHEPTADINE Cyproheptadine cyproheptadine chebi_ontology 1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine 1-methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine 4-(5-dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine 4-Dibenzo[a,d]cyclohepten-5-ylidene-1-methyl-piperidine 5-(1-methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene ciproheptadina cyproheptadine cyproheptadinum CHEBI:4046 cyproheptadine Beilstein:1348386 Beilstein CAS:129-03-3 ChemIDplus CAS:129-03-3 KEGG COMPOUND CAS:129-03-3 NIST Chemistry WebBook Drug_Central:765 DrugCentral PMID:10843226 ChEMBL 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine IUPAC 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine IUPAC CYPROHEPTADINE ChEMBL Cyproheptadine KEGG_COMPOUND cyproheptadine ChEMBL 1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine ChemIDplus 1-methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine ChemIDplus 4-(5-dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine ChemIDplus 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine ChemIDplus 4-Dibenzo[a,d]cyclohepten-5-ylidene-1-methyl-piperidine ChEMBL 5-(1-methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene ChemIDplus ciproheptadina ChemIDplus cyproheptadine ChemIDplus cyproheptadinum ChemIDplus 0 CHF3 InChI=1S/CHF3/c2-1(3)4/h1H XPDWGBQVDMORPB-UHFFFAOYSA-N 70.01385 70.00303 [H]C(F)(F)F CHEBI:24073 CHEBI:41543 Beilstein:1731035 CAS:75-46-7 Gmelin:1543 PDBeChem:CFT UM-BBD_compID:c0802 fluoroform chebi_ontology CHF3 Freon 23 Freon F-23 TRIFLUOROMETHANE carbon trifluoride methyl trifluoride CHEBI:41550 fluoroform Beilstein:1731035 Beilstein CAS:75-46-7 ChemIDplus CAS:75-46-7 NIST Chemistry WebBook Gmelin:1543 Gmelin UM-BBD_compID:c0802 UM-BBD fluoroform IUPAC CHF3 IUPAC Freon 23 ChemIDplus Freon F-23 NIST_Chemistry_WebBook TRIFLUOROMETHANE PDBeChem carbon trifluoride UM-BBD methyl trifluoride 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 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 C12H19N2.I InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1 XFZJGFIKQCCLGK-UHFFFAOYSA-M 318.19721 318.05929 [I-].C[N+]1(C)CCN(CC1)c1ccccc1 Beilstein:3746109 CAS:54-77-3 KEGG:C07488 1,1-Dimethyl-4-phenylpiperazinium Iodide 1,1-dimethyl-4-phenylpiperazinium iodide chebi_ontology 1,1-Dimethyl-4-phenylpiperazine iodide DMPP DMPP iodide Dimethylphenylpiperazinium iodide N,N-Dimethyl-N'-phenylpiperazinium iodide CHEBI:4290 1,1-dimethyl-4-phenylpiperazinium iodide Beilstein:3746109 Beilstein CAS:54-77-3 ChemIDplus CAS:54-77-3 KEGG COMPOUND 1,1-Dimethyl-4-phenylpiperazinium Iodide KEGG_COMPOUND 1,1-dimethyl-4-phenylpiperazinium iodide IUPAC 1,1-Dimethyl-4-phenylpiperazine iodide ChemIDplus DMPP KEGG_COMPOUND DMPP iodide ChemIDplus Dimethylphenylpiperazinium iodide KEGG_COMPOUND N,N-Dimethyl-N'-phenylpiperazinium iodide ChemIDplus 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 diatomic molecule containing covalently bonded hydrogen and iodine atoms. 0 HI InChI=1S/HI/h1H XMBWDFGMSWQBCA-UHFFFAOYSA-N 127.91241 127.91230 I[H] CHEBI:5591 CAS:10034-85-2 Gmelin:814 KEGG:C05590 Hydrogen iodide hydrogen iodide iodane iodidohydrogen chebi_ontology HI Hydrogeniodid Hydroiodic acid Iodwasserstoff Jodwasserstoff Wasserstoffiodid [HI] hydriodic acid hydroiodic acid iodure d'hydrogene CHEBI:43451 hydrogen iodide CAS:10034-85-2 ChemIDplus CAS:10034-85-2 NIST Chemistry WebBook Gmelin:814 Gmelin Hydrogen iodide KEGG_COMPOUND hydrogen iodide IUPAC iodane IUPAC iodidohydrogen IUPAC HI IUPAC HI KEGG_COMPOUND Hydrogeniodid ChEBI Hydroiodic acid KEGG_COMPOUND Iodwasserstoff ChEBI Jodwasserstoff ChEBI Wasserstoffiodid ChEBI [HI] IUPAC hydriodic acid NIST_Chemistry_WebBook hydroiodic acid ChemIDplus iodure d'hydrogene ChEBI 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 primary aliphatic amine that is butane substituted by an amino group at position 1. 0 C4H11N InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 HQABUPZFAYXKJW-UHFFFAOYSA-N 73.13680 73.08915 CCCCN CAS:109-73-9 DrugBank:DB03659 Gmelin:1784 MetaCyc:BUTYLAMINE PDBeChem:LYT PMID:16387436 PMID:23470444 PMID:23734590 Reaxys:605269 Wikipedia:N-Butylamine butan-1-amine chebi_ontology 1-Aminobutan 1-aminobutane 1-butanamine 1-butylamine BUTYLAMINE butanamine butylamine mono-n-butylamine monobutylamine n-Butylamin n-C4H9NH2 n-butylamine CHEBI:43799 butan-1-amine CAS:109-73-9 ChemIDplus CAS:109-73-9 NIST Chemistry WebBook Gmelin:1784 Gmelin PMID:16387436 Europe PMC PMID:23470444 Europe PMC PMID:23734590 Europe PMC Reaxys:605269 Reaxys butan-1-amine IUPAC 1-Aminobutan ChemIDplus 1-aminobutane ChemIDplus 1-butanamine NIST_Chemistry_WebBook 1-butylamine NIST_Chemistry_WebBook BUTYLAMINE PDBeChem butanamine NIST_Chemistry_WebBook butylamine ChemIDplus mono-n-butylamine ChemIDplus monobutylamine NIST_Chemistry_WebBook n-Butylamin ChemIDplus n-C4H9NH2 NIST_Chemistry_WebBook n-butylamine ChemIDplus A member of the class of ureas that is urea in which one of the hydrogens is replaced by a hydroxy group. An antineoplastic used in the treatment of chronic myeloid leukaemia as well as for sickle-cell disease. 0 CH4N2O2 InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4) VSNHCAURESNICA-UHFFFAOYSA-N 76.05474 76.02728 NC(=O)NO CHEBI:44420 CHEBI:5816 Beilstein:1741548 CAS:127-07-1 DrugBank:DB01005 Drug_Central:1399 Gmelin:130423 HMDB:HMDB0015140 KEGG:C07044 KEGG:D00341 MetaCyc:HYDROXY-UREA PDBeChem:NHY PMID:11285159 PMID:11298103 PMID:11364534 PMID:11365149 PMID:11391710 PMID:12107454 PMID:14988684 PMID:15772364 PMID:15994344 PMID:16356682 PMID:22983419 PMID:23318979 PMID:23643402 PMID:23696560 PMID:9271088 Patent:US2705727 Reaxys:1741548 Wikipedia:Hydroxyurea Hydroxyurea N-hydroxyurea hydroxyurea chebi_ontology Hydroxycarbamid Hydroxycarbamide Hydroxyharnstoff N-HYDROXYUREA N-carbamoylhydroxylamine carbamohydroxamic acid carbamohydroximic acid carbamoyl oxime carbamyl hydroxamate hidroxicarbamida hydrea hydroxycarbamide hydroxycarbamidum oxyurea CHEBI:44423 hydroxyurea Beilstein:1741548 ChemIDplus CAS:127-07-1 ChemIDplus CAS:127-07-1 KEGG COMPOUND Drug_Central:1399 DrugCentral Gmelin:130423 Gmelin PMID:11285159 Europe PMC PMID:11298103 Europe PMC PMID:11364534 Europe PMC PMID:11365149 Europe PMC PMID:11391710 Europe PMC PMID:12107454 Europe PMC PMID:14988684 Europe PMC PMID:15772364 Europe PMC PMID:15994344 Europe PMC PMID:16356682 Europe PMC PMID:22983419 Europe PMC PMID:23318979 Europe PMC PMID:23643402 Europe PMC PMID:23696560 Europe PMC PMID:9271088 Europe PMC Reaxys:1741548 Reaxys Hydroxyurea KEGG_COMPOUND N-hydroxyurea IUPAC hydroxyurea UniProt Hydroxycarbamid ChEBI Hydroxycarbamide KEGG_COMPOUND Hydroxyharnstoff ChEBI N-HYDROXYUREA PDBeChem N-carbamoylhydroxylamine ChemIDplus carbamohydroxamic acid ChemIDplus carbamohydroximic acid ChemIDplus carbamoyl oxime ChemIDplus carbamyl hydroxamate ChemIDplus hidroxicarbamida ChemIDplus hydrea ChemIDplus hydroxycarbamide ChemIDplus hydroxycarbamide WHO_MedNet hydroxycarbamidum ChemIDplus oxyurea ChemIDplus An amino acid consisting of carbamic acid having an N-methyl substituent. 0 C2H5NO2 InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5) UFEJKYYYVXYMMS-UHFFFAOYSA-N 75.067 75.03203 CNC(O)=O CHEBI:38464 CHEBI:45374 Beilstein:1738994 CAS:6414-57-9 PDBeChem:RGI PMID:13663920 PMID:18491873 PMID:21311787 PMID:21687849 PMID:22382393 PMID:28083911 PMID:33146910 Reaxys:1738994 methylcarbamic acid chebi_ontology Methylcarbamidsaeure N-methylcarbamic acid CHEBI:45379 methylcarbamic acid Beilstein:1738994 Beilstein CAS:6414-57-9 ChemIDplus PMID:13663920 Europe PMC PMID:18491873 Europe PMC PMID:21311787 Europe PMC PMID:21687849 Europe PMC PMID:22382393 Europe PMC PMID:28083911 Europe PMC PMID:33146910 Europe PMC Reaxys:1738994 Reaxys methylcarbamic acid IUPAC Methylcarbamidsaeure ChEBI N-methylcarbamic acid ChEBI A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. 0 C4H3FN2O2 InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) GHASVSINZRGABV-UHFFFAOYSA-N 130.07730 130.01786 Fc1c[nH]c(=O)[nH]c1=O CHEBI:2054 CHEBI:46343 Beilstein:127172 CAS:51-21-8 DrugBank:DB00544 Drug_Central:26 HMDB:HMDB0014684 KEGG:C07649 KEGG:D00584 LINCS:LSM-4261 PDBeChem:URF PMID:11356943 PMID:12520460 PMID:14769231 PMID:19023200 Reaxys:127172 Wikipedia:Fluorouracil 5-Fluorouracil 5-fluoropyrimidine-2,4(1H,3H)-dione 5-fluorouracil chebi_ontology 5-FU 5-Fluoracil 5-Fluoropyrimidine-2,4-dione Fluorouracil fluorouracil fluorouracilo fluorouracilum CHEBI:46345 5-fluorouracil Beilstein:127172 Beilstein CAS:51-21-8 ChemIDplus CAS:51-21-8 KEGG COMPOUND Drug_Central:26 DrugCentral PMID:11356943 Europe PMC PMID:12520460 Europe PMC PMID:14769231 Europe PMC PMID:19023200 Europe PMC Reaxys:127172 Reaxys 5-Fluorouracil KEGG_COMPOUND 5-fluoropyrimidine-2,4(1H,3H)-dione IUPAC 5-fluorouracil IUPAC 5-FU KEGG_COMPOUND 5-Fluoracil ChemIDplus 5-Fluoropyrimidine-2,4-dione ChemIDplus Fluorouracil KEGG_COMPOUND fluorouracil ChemIDplus fluorouracil WHO_MedNet fluorouracilo ChemIDplus fluorouracilum ChemIDplus 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 A compound that contains two ketone functionalities. Wikipedia:Diketone diketones chebi_ontology CHEBI:46640 diketone diketones IUPAC A compound derived from a hydrocarbon by replacing one or more hydrogen atoms with fluorine atoms. chebi_ontology FKW Fluorkohlenwasserstoffe HFC fluorohydrocarbons CHEBI:46695 fluorohydrocarbon FKW ChEBI Fluorkohlenwasserstoffe ChEBI HFC ChEBI fluorohydrocarbons ChEBI chebi_ontology N-alkylpyrrolidines CHEBI:46775 N-alkylpyrrolidine N-alkylpyrrolidines 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 0 C2H4OS InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N 76.11856 75.99829 CC(O)=S Beilstein:1733298 Gmelin:1216872 ethanethioic O-acid chebi_ontology CHEBI:46800 ethanethioic O-acid Beilstein:1733298 Beilstein Gmelin:1216872 Gmelin ethanethioic O-acid IUPAC chebi_ontology N-alkylpiperazines CHEBI:46845 N-alkylpiperazine N-alkylpiperazines ChEBI chebi_ontology N-arylpiperazines CHEBI:46848 N-arylpiperazine N-arylpiperazines ChEBI chebi_ontology piperazinium salts CHEBI:46849 piperazinium salt piperazinium salts 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 ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in L-glyceraldehyde. 0 C5H10O5 150.130 150.05282 L-ribo-pentose L-ribose chebi_ontology L-Rib CHEBI:46997 L-ribose L-ribo-pentose IUPAC L-ribose IUPAC L-Rib JCBN A cyclic ribose having a 5-membered tetrahydrofuran ring; the predominant (C3'-endo) form of the two cyclic structures (the other is the "C2'-endo" form, having a 6-membered ring) adopted by ribose in aqueous solution. 0 C5H10O5 150.12990 150.05282 ribofuranose chebi_ontology rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol CHEBI:46998 ribofuranose ribofuranose IUPAC rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol IUPAC A ribofuranose having D-configuration. 0 C5H10O5 InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 HMFHBZSHGGEWLO-SOOFDHNKSA-N 150.12990 150.05282 OC[C@H]1OC(O)[C@H](O)[C@@H]1O CHEBI:4233 CHEBI:46999 Beilstein:1904878 CAS:50-69-1 CAS:613-83-2 GlyTouCan:G31080DL Gmelin:364108 KEGG:C00121 PMID:9506998 Patent:US2152662 Reaxys:1904878 D-ribofuranose chebi_ontology (3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol D-Ribose D-ribose WURCS=2.0/1,1,0/[a222h-1x_1-4]/1/ ribose CHEBI:47013 D-ribofuranose Beilstein:1904878 Beilstein CAS:50-69-1 KEGG COMPOUND CAS:613-83-2 ChemIDplus Gmelin:364108 Gmelin PMID:9506998 Europe PMC Reaxys:1904878 Reaxys D-ribofuranose IUPAC (3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol IUPAC D-Ribose KEGG_COMPOUND D-ribose UniProt WURCS=2.0/1,1,0/[a222h-1x_1-4]/1/ GlyTouCan ribose ChemIDplus chebi_ontology tetrahydrofuranols CHEBI:47017 tetrahydrofuranol tetrahydrofuranols ChEBI chebi_ontology dihydroxytetrahydrofurans CHEBI:47019 dihydroxytetrahydrofuran dihydroxytetrahydrofurans ChEBI A diatomic molecule containing covalently bonded hydrogen and bromine atoms. 0 BrH HBr InChI=1S/BrH/h1H CPELXLSAUQHCOX-UHFFFAOYSA-N 80.91194 79.92616 Br[H] CHEBI:29134 CHEBI:31673 CAS:10035-10-6 Gmelin:620 KEGG:C13645 bromane bromidohydrogen hydrogen bromide chebi_ontology Bromwasserstoff HBr Hydrobromic acid Hydrogenbromid [HBr] bromure d'hydrogene CHEBI:47266 hydrogen bromide CAS:10035-10-6 ChemIDplus CAS:10035-10-6 KEGG COMPOUND CAS:10035-10-6 NIST Chemistry WebBook Gmelin:620 Gmelin bromane IUPAC bromidohydrogen IUPAC hydrogen bromide IUPAC hydrogen bromide NIST_Chemistry_WebBook Bromwasserstoff NIST_Chemistry_WebBook HBr KEGG_COMPOUND Hydrobromic acid KEGG_COMPOUND Hydrogenbromid ChEBI [HBr] IUPAC bromure d'hydrogene ChEBI A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. 0 C29H44O12 InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 LPMXVESGRSUGHW-HBYQJFLCSA-N 584.65250 584.28328 [H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O CHEBI:44461 CHEBI:7805 Beilstein:101712 CAS:630-60-4 DrugBank:DB01092 Drug_Central:2004 FooDB:FDB005482 HMDB:HMDB0015224 KEGG:C01443 KEGG:D00112 KNApSAcK:C00003633 LINCS:LSM-2781 LIPID_MAPS_instance:LMST01120022 PDBeChem:OBN PMID:10438974 PMID:1316269 PMID:16529963 PMID:20372980 PMID:31075189 PMID:31170971 PMID:31548455 PMID:31986323 PMID:32326025 PMID:32368275 PMID:32488807 PMID:32569558 PMID:9872395 Reaxys:101712 Wikipedia:Ouabain 3-(6-deoxy-alpha-L-mannopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide Ouabain chebi_ontology 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide G-Strophanthin Ouabagenin L-Rhamnoside Ouabagenin-L-rhamnosid Ouabain anhydrous Ouabaine Oubain Strodival CHEBI:472805 ouabain Beilstein:101712 Beilstein CAS:630-60-4 ChemIDplus CAS:630-60-4 KEGG COMPOUND Drug_Central:2004 DrugCentral LIPID_MAPS_instance:LMST01120022 LIPID MAPS PMID:10438974 Europe PMC PMID:1316269 Europe PMC PMID:16529963 Europe PMC PMID:20372980 Europe PMC PMID:31075189 Europe PMC PMID:31170971 Europe PMC PMID:31548455 Europe PMC PMID:31986323 Europe PMC PMID:32326025 Europe PMC PMID:32368275 Europe PMC PMID:32488807 Europe PMC PMID:32569558 Europe PMC PMID:9872395 Europe PMC Reaxys:101712 Reaxys 3-(6-deoxy-alpha-L-mannopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide IUPAC Ouabain KEGG_COMPOUND 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide IUPAC G-Strophanthin KEGG_COMPOUND Ouabagenin L-Rhamnoside DrugBank Ouabagenin-L-rhamnosid ChemIDplus Ouabain anhydrous ChemIDplus Ouabaine ChemIDplus Oubain ChemIDplus Strodival ChemIDplus A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. 0 C19H24N2 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N 280.40734 280.19395 CN(C)CCCN1c2ccccc2CCc2ccccc12 CHEBI:47498 CHEBI:5881 Beilstein:256892 CAS:50-49-7 DrugBank:DB00458 Drug_Central:1427 Gmelin:1572523 HMDB:HMDB0001848 KEGG:C07049 KEGG:D08070 LINCS:LSM-2852 PDBeChem:IXX PMID:20825390 Patent:US2554736 Reaxys:256892 Wikipedia:Imipramine 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Imipramine chebi_ontology 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine Antideprin Imipramin Irmin Melipramine N-(gamma-dimethylaminopropyl)iminodibenzyl imipramine imipraminum imizine CHEBI:47499 imipramine Beilstein:256892 Beilstein CAS:50-49-7 ChemIDplus CAS:50-49-7 KEGG COMPOUND CAS:50-49-7 NIST Chemistry WebBook Drug_Central:1427 DrugCentral Gmelin:1572523 Gmelin PMID:20825390 Europe PMC Reaxys:256892 Reaxys 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine IUPAC Imipramine KEGG_COMPOUND 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine NIST_Chemistry_WebBook 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE PDBeChem 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine NIST_Chemistry_WebBook Antideprin DrugBank Imipramin ChEBI Irmin ChemIDplus Melipramine ChemIDplus N-(gamma-dimethylaminopropyl)iminodibenzyl NIST_Chemistry_WebBook imipramine ChemIDplus imipraminum ChemIDplus imizine NIST_Chemistry_WebBook Any carboxylic ester where the carboxylic acid component is acetic acid. 0 C2H3O2R 59.04400 59.01330 CC(=O)O[*] CHEBI:13244 CHEBI:13799 CHEBI:22189 CHEBI:2406 KEGG:C01883 Wikipedia:Acetate#Esters chebi_ontology Acetic ester Acetyl ester acetate acetate esters acetates acetyl esters an acetyl ester CHEBI:47622 acetate ester Acetic ester KEGG_COMPOUND Acetyl ester KEGG_COMPOUND acetate ChEBI acetate esters ChEBI acetates ChEBI acetyl esters ChEBI an acetyl ester UniProt ammonium salt chebi_ontology Ammoniumsalz Ammoniumsalze ammonium salts CHEBI:47704 ammonium salt ammonium salt ChEBI Ammoniumsalz ChEBI Ammoniumsalze ChEBI ammonium salts ChEBI A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings. 0 C14H11N InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H LCGTWRLJTMHIQZ-UHFFFAOYSA-N 193.249 193.08915 N1C2=C(C=CC=C2)C=CC2=C1C=CC=C2 CAS:256-96-2 Chemspider:8857 PDBeChem:ONB PMID:11767950 PMID:12052500 PMID:12061877 PMID:15837018 PMID:16203183 PMID:17236778 PMID:18779941 PMID:19486265 PMID:19774656 PMID:20922935 PMID:21087114 PMID:21441615 PMID:22322005 PMID:22751668 PMID:2322636 PMID:24358274 PMID:27175105 PMID:27389944 PMID:27807790 PMID:30660838 PMID:30754023 PMID:30823329 PMID:31718245 PMID:33381027 PMID:33842007 PMID:3680120 PMID:4146691 PMID:5982986 PMID:7587936 PMID:8385460 PMID:870507 Reaxys:1343358 Wikipedia:Dibenzazepine 5H-dibenzo[b,f]azepine chebi_ontology 2,2'-iminostilbene 2,3,6,7-dibenzazepine 5H-Dibenz[b,f]azepin 5H-dibenz[b,f]azepine 5H-dibenzazepine dibenz(b,f)azepine dibenzazepine iminostilbene o,o'-iminostilbene CHEBI:47802 5H-dibenzo[b,f]azepine CAS:256-96-2 ChemIDplus CAS:256-96-2 NIST Chemistry WebBook PMID:11767950 Europe PMC PMID:12052500 Europe PMC PMID:12061877 Europe PMC PMID:15837018 Europe PMC PMID:16203183 Europe PMC PMID:17236778 Europe PMC PMID:18779941 Europe PMC PMID:19486265 Europe PMC PMID:19774656 Europe PMC PMID:20922935 Europe PMC PMID:21087114 Europe PMC PMID:21441615 Europe PMC PMID:22322005 Europe PMC PMID:22751668 Europe PMC PMID:2322636 Europe PMC PMID:24358274 Europe PMC PMID:27175105 Europe PMC PMID:27389944 Europe PMC PMID:27807790 Europe PMC PMID:30660838 Europe PMC PMID:30754023 Europe PMC PMID:30823329 Europe PMC PMID:31718245 Europe PMC PMID:33381027 Europe PMC PMID:33842007 Europe PMC PMID:3680120 Europe PMC PMID:4146691 Europe PMC PMID:5982986 Europe PMC PMID:7587936 Europe PMC PMID:8385460 Europe PMC PMID:870507 Europe PMC Reaxys:1343358 Reaxys 5H-dibenzo[b,f]azepine IUPAC 2,2'-iminostilbene ChemIDplus 2,3,6,7-dibenzazepine NIST_Chemistry_WebBook 5H-Dibenz[b,f]azepin NIST_Chemistry_WebBook 5H-dibenz[b,f]azepine NIST_Chemistry_WebBook 5H-dibenzazepine ChEBI dibenz(b,f)azepine NIST_Chemistry_WebBook dibenzazepine ChEBI iminostilbene ChemIDplus o,o'-iminostilbene NIST_Chemistry_WebBook dibenzoazepine chebi_ontology dibenzazepine dibenzoazepines CHEBI:47804 dibenzoazepine dibenzoazepine ChEBI dibenzazepine ChEBI dibenzoazepines ChEBI A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. 0 C29H40N2O4 InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1 AUVVAXYIELKVAI-CKBKHPSWSA-N 480.63898 480.29881 [H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC Beilstein:6253162 CAS:483-18-1 DrugBank:DB13393 Drug_Central:1001 KEGG:C09421 KNApSAcK:C00001849 LINCS:LSM-2041 MetaCyc:CPD-14817 PMID:14119536 PMID:16109351 PMID:17094176 PMID:19227966 PMID:29872540 PMID:31436297 PMID:31533472 PMID:31734270 PMID:31775307 PMID:31964796 PMID:32245264 PMID:32251767 Reaxys:100834 Wikipedia:Emetine 6',7',10,11-tetramethoxyemetan Emetine chebi_ontology Emetan Emetin cephaeline methyl ether cephaline-O-methyl ether methyl cephaeline CHEBI:4781 emetine Beilstein:6253162 Beilstein CAS:483-18-1 ChemIDplus CAS:483-18-1 KEGG COMPOUND CAS:483-18-1 NIST Chemistry WebBook Drug_Central:1001 DrugCentral PMID:14119536 Europe PMC PMID:16109351 Europe PMC PMID:17094176 Europe PMC PMID:19227966 Europe PMC PMID:29872540 Europe PMC PMID:31436297 Europe PMC PMID:31533472 Europe PMC PMID:31734270 Europe PMC PMID:31775307 Europe PMC PMID:31964796 Europe PMC PMID:32245264 Europe PMC PMID:32251767 Europe PMC Reaxys:100834 Reaxys 6',7',10,11-tetramethoxyemetan IUPAC Emetine KEGG_COMPOUND Emetan NIST_Chemistry_WebBook Emetin ChemIDplus cephaeline methyl ether ChemIDplus cephaline-O-methyl ether ChemIDplus methyl cephaeline 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 macrocyclic polypyrroles chebi_ontology cyclic polypyrroles polypyrrole macrocycles CHEBI:47882 cyclic polypyrrole macrocyclic polypyrroles IUPAC cyclic polypyrroles ChEBI polypyrrole macrocycles ChEBI Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group. CHEBI:13809 CHEBI:33553 chebi_ontology alkanesulfonic acids alkylsulfonic acids CHEBI:47901 alkanesulfonic acid alkanesulfonic acids ChEBI alkylsulfonic acids ChEBI An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups. 0 C3H2ClF5O InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H JPGQOUSTVILISH-UHFFFAOYSA-N 184.49210 183.97143 FC(F)OC(F)(F)C(F)Cl CAS:13838-16-9 DrugBank:DB00228 Drug_Central:1009 HMDB:HMDB0014373 KEGG:C07516 KEGG:D00543 PMID:23934553 PMID:25386744 PMID:7457058 Patent:AU2014277860 Patent:US5783199 Reaxys:1903921 Wikipedia:Enflurane 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane Enflurane chebi_ontology 2-chloro-1,1,2-trifluoroethyl difluoromethyl ether Alyrane Efrane Ethrane Methylflurether CHEBI:4792 enflurane CAS:13838-16-9 ChemIDplus CAS:13838-16-9 KEGG COMPOUND CAS:13838-16-9 NIST Chemistry WebBook Drug_Central:1009 DrugCentral PMID:23934553 Europe PMC PMID:25386744 Europe PMC PMID:7457058 Europe PMC Reaxys:1903921 Reaxys 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane IUPAC Enflurane KEGG_COMPOUND 2-chloro-1,1,2-trifluoroethyl difluoromethyl ether ChEBI Alyrane NIST_Chemistry_WebBook Efrane ChemIDplus Ethrane ChemIDplus Methylflurether ChemIDplus Any oligopeptide that consists of three amino-acid residues connected by peptide linkages. 0 C6H8N3O4R3 186.146 186.05148 C(=O)(NC(C(NC(C(=O)O)*)=O)*)C(N)* CHEBI:27138 CHEBI:9742 KEGG:C00316 Wikipedia:Tripeptide Tripeptide chebi_ontology tripeptides CHEBI:47923 tripeptide Tripeptide KEGG_COMPOUND tripeptides ChEBI An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. CHEBI:82738 Wikipedia:Nicotinic_acetylcholine_receptor chebi_ontology muscarinic agonists nicotinic acetylcholine receptor agonists nicotinic agonist nicotinic agonists CHEBI:47958 nicotinic acetylcholine receptor agonist muscarinic agonists ChEBI nicotinic acetylcholine receptor agonists ChEBI nicotinic agonist ChEBI nicotinic agonists 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 chebi_ontology Schwefeloxide oxides of sulfur sulfur oxides CHEBI:48154 sulfur oxide Schwefeloxide ChEBI oxides of sulfur ChEBI sulfur oxides ChEBI A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body). Wikipedia:Antiseptic chebi_ontology antiseptic antiseptic agent antiseptic agents antiseptics local antiinfective agents local microbicides topical antiinfective agents topical microbicides CHEBI:48218 antiseptic drug antiseptic ChEBI antiseptic agent ChEBI antiseptic agents ChEBI antiseptics ChEBI local antiinfective agents ChEBI local microbicides ChEBI topical antiinfective agents ChEBI topical microbicides 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 chebi_ontology serotonergic agents serotonergic drugs serotonin drugs CHEBI:48278 serotonergic drug serotonergic agents ChEBI serotonergic drugs ChEBI serotonin drugs ChEBI Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. chebi_ontology 5-HT antagonists 5-hydroxytryptamine antagonists antiserotonergic agents serotonin antagonists serotonin blockaders CHEBI:48279 serotonergic antagonist 5-HT antagonists ChEBI 5-hydroxytryptamine antagonists ChEBI antiserotonergic agents ChEBI serotonin antagonists ChEBI serotonin blockaders 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 chebi_ontology CHEBI:48357 aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. dipolar aprotic solvent chebi_ontology CHEBI:48358 polar aprotic solvent dipolar aprotic 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 Any drug that acts on an alpha-adrenergic receptor. chebi_ontology alpha-adrenergic drugs CHEBI:48539 alpha-adrenergic drug alpha-adrenergic drugs ChEBI Any of the drugs that act on beta-adrenergic receptors. chebi_ontology beta-adrenergic drugs CHEBI:48540 beta-adrenergic drug beta-adrenergic drugs ChEBI Esters or salts of methanesulfonic acid. chebi_ontology CHEBI:48544 methanesulfonates A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons. chebi_ontology dopamine agent dopamine agents dopamine drug dopamine drugs dopaminergic agents CHEBI:48560 dopaminergic agent dopamine agent ChEBI dopamine agents ChEBI dopamine drug ChEBI dopamine drugs ChEBI dopaminergic agents ChEBI A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. chebi_ontology dopamine antagonist dopamine blocker dopamine receptor antagonist dopaminergic antagonists CHEBI:48561 dopaminergic antagonist dopamine antagonist ChEBI dopamine blocker ChEBI dopamine receptor antagonist ChEBI dopaminergic antagonists ChEBI A role played by a substance that can react readily with, and thereby eliminate, radicals. chebi_ontology free radical scavengers free-radical scavenger CHEBI:48578 radical scavenger free radical scavengers ChEBI free-radical scavenger 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 0 H2O3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3) LSNNMFCWUKXFEE-UHFFFAOYSA-N 82.08008 81.97247 OS(O)=O CHEBI:26837 CHEBI:9344 CAS:7782-99-2 Gmelin:1458 KEGG:C00094 KNApSAcK:C00019662 PDBeChem:SO3 UM-BBD_compID:c0348 Sulfurous acid dihydrogen trioxosulfate dihydroxidooxidosulfur sulfurous acid trioxosulfuric acid chebi_ontology H2SO3 S(O)(OH)2 Sulfite [SO(OH)2] acide sulfureux acido sulfuroso schweflige Saeure sulphurous acid CHEBI:48854 sulfurous acid CAS:7782-99-2 ChemIDplus Gmelin:1458 Gmelin UM-BBD_compID:c0348 UM-BBD Sulfurous acid KEGG_COMPOUND dihydrogen trioxosulfate IUPAC dihydroxidooxidosulfur IUPAC sulfurous acid IUPAC trioxosulfuric acid IUPAC H2SO3 IUPAC S(O)(OH)2 IUPAC Sulfite KEGG_COMPOUND [SO(OH)2] IUPAC acide sulfureux ChEBI acido sulfuroso ChEBI schweflige Saeure ChemIDplus sulphurous acid ChemIDplus A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures. 0 C7H11NO2 InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N 141.16770 141.07898 CCC1(C)CC(=O)NC1=O CHEBI:131811 CAS:77-67-8 Chemspider:3175 DrugBank:DB00593 Drug_Central:1087 HMDB:HMDB0014731 KEGG:C07505 KEGG:D00539 LINCS:LSM-5195 PMID:12873507 PMID:16606760 PMID:1681105 PMID:17011080 PMID:17046248 PMID:17451232 PMID:17481896 PMID:1847429 PMID:18949032 PMID:19005061 PMID:1992141 PMID:2061925 PMID:21332949 PMID:21945797 PMID:2296016 PMID:2308142 PMID:3336019 PMID:3820228 PMID:8246220 PMID:8627613 PMID:8691481 PMID:9016327 Reaxys:117054 Wikipedia:Ethosuximide 3-ethyl-3-methylpyrrolidine-2,5-dione Ethosuximide chebi_ontology (+-)-2-ethyl-2-methylsuccinimide 2-ethyl-2-methylsuccinimide 2-methyl-2-ethylsuccinimide 3-ethyl-3-methyl-2,5-pyrrolidinedione 3-ethyl-3-methylsuccinimide 3-methyl-3-ethylpyrrolidine-2,5-dione 3-methyl-3-ethylsuccinimide Aethosuximide alpha-ethyl-alpha-methylsuccinimide alpha-methyl-alpha-ethylsuccinimide ethosuximide ethosuximidum etosuximida gamma-ethyl-gamma-methyl-succinimide gamma-methyl-gamma-ethyl-succinimide CHEBI:4887 ethosuximide CAS:77-67-8 ChemIDplus CAS:77-67-8 KEGG COMPOUND CAS:77-67-8 NIST Chemistry WebBook Drug_Central:1087 DrugCentral PMID:12873507 ChEMBL PMID:16606760 Europe PMC PMID:1681105 ChEMBL PMID:17011080 ChEMBL PMID:17046248 ChEMBL PMID:17451232 ChEMBL PMID:17481896 ChEMBL PMID:1847429 ChEMBL PMID:18949032 Europe PMC PMID:19005061 Europe PMC PMID:1992141 ChEMBL PMID:2061925 ChEMBL PMID:21332949 Europe PMC PMID:21945797 Europe PMC PMID:2296016 ChEMBL PMID:2308142 ChEMBL PMID:3336019 ChEMBL PMID:3820228 ChEMBL PMID:8246220 ChEMBL PMID:8627613 ChEMBL PMID:8691481 ChEMBL PMID:9016327 ChEMBL Reaxys:117054 Reaxys 3-ethyl-3-methylpyrrolidine-2,5-dione IUPAC Ethosuximide KEGG_COMPOUND (+-)-2-ethyl-2-methylsuccinimide ChemIDplus 2-ethyl-2-methylsuccinimide ChemIDplus 2-methyl-2-ethylsuccinimide ChemIDplus 3-ethyl-3-methyl-2,5-pyrrolidinedione ChEBI 3-ethyl-3-methylsuccinimide ChemIDplus 3-methyl-3-ethylpyrrolidine-2,5-dione ChemIDplus 3-methyl-3-ethylsuccinimide ChemIDplus Aethosuximide ChemIDplus alpha-ethyl-alpha-methylsuccinimide ChemIDplus alpha-methyl-alpha-ethylsuccinimide ChemIDplus ethosuximide ChemIDplus ethosuximide WHO_MedNet ethosuximidum ChemIDplus etosuximida ChemIDplus gamma-ethyl-gamma-methyl-succinimide ChEBI gamma-methyl-gamma-ethyl-succinimide ChemIDplus chebi_ontology imidazothiazoles CHEBI:48909 imidazothiazole imidazothiazoles ChEBI chebi_ontology substituted anilines CHEBI:48975 substituted aniline substituted anilines ChEBI A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system. chebi_ontology peripheral nervous system agent peripheral nervous system drugs CHEBI:49110 peripheral nervous system drug peripheral nervous system agent ChEBI peripheral nervous system drugs ChEBI An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H(+)/K(+)-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors. Wikipedia:Proton_pump_inhibitor chebi_ontology (K(+) + H(+))-ATPase inhibitor (K(+) + H(+))-ATPase inhibitors ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitor ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitors EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitors EC 3.6.3.10 inhibitor EC 3.6.3.10 inhibitors H(+)-K(+)-ATPase inhibitor H(+)-K(+)-ATPase inhibitors H(+)/K(+)-ATPase inhibitor H(+)/K(+)-ATPase inhibitors H(+)/K(+)-exchanging ATPase inhibitor H(+)/K(+)-exchanging ATPase inhibitors H,K-ATPase inhibitor H,K-ATPase inhibitors proton pump inhibitor proton pump inhibitors CHEBI:49200 EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor (K(+) + H(+))-ATPase inhibitor ChEBI (K(+) + H(+))-ATPase inhibitors ChEBI ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitor ChEBI ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitors ChEBI EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitors ChEBI EC 3.6.3.10 inhibitor ChEBI EC 3.6.3.10 inhibitors ChEBI H(+)-K(+)-ATPase inhibitor ChEBI H(+)-K(+)-ATPase inhibitors ChEBI H(+)/K(+)-ATPase inhibitor ChEBI H(+)/K(+)-ATPase inhibitors ChEBI H(+)/K(+)-exchanging ATPase inhibitor ChEBI H(+)/K(+)-exchanging ATPase inhibitors ChEBI H,K-ATPase inhibitor ChEBI H,K-ATPase inhibitors ChEBI proton pump inhibitor ChEBI proton pump inhibitors ChEBI 0 H InChI=1S/H YZCKVEUIGOORGS-UHFFFAOYSA-N 1.00794 1.00783 [H] CHEBI:24634 CHEBI:49636 WebElements:H hydrogen chebi_ontology 1H H Wasserstoff hidrogeno hydrogen hydrogene CHEBI:49637 hydrogen atom hydrogen IUPAC 1H IUPAC H IUPAC Wasserstoff ChEBI hidrogeno ChEBI hydrogen ChEBI hydrogene ChEBI 0 H3O3Sb InChI=1S/3H2O.Sb/h3*1H2;/q;;;+3/p-3 SZOADBKOANDULT-UHFFFAOYSA-K 172.78202 171.91203 [H]O[Sb](O[H])O[H] CHEBI:30296 CHEBI:49869 DrugBank:DB02453 Gmelin:558348 PDBeChem:SBO antimonous acid trihydroxidoantimony chebi_ontology H3SbO3 TRIHYDROXYANTIMONITE(III) [Sb(OH)3] stiborous acid CHEBI:49870 antimonous acid Gmelin:558348 Gmelin antimonous acid IUPAC trihydroxidoantimony IUPAC H3SbO3 IUPAC TRIHYDROXYANTIMONITE(III) ChemIDplus [Sb(OH)3] IUPAC stiborous acid IUPAC antimony coordination entity chebi_ontology antimony coordination compounds antimony coordination entities CHEBI:50007 antimony coordination entity antimony coordination entity ChEBI antimony coordination compounds ChEBI antimony coordination entities ChEBI A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups. chebi_ontology organic amino compounds CHEBI:50047 organic amino compound organic amino compounds ChEBI Any hormone that is responsible for controlling sexual characteristics and reproductive function. chebi_ontology Geschlechtshormon Geschlechtshormone Sexualhormon Sexualhormone hormone sexuelle hormones sexuelles sex hormones CHEBI:50112 sex hormone Geschlechtshormon ChEBI Geschlechtshormone ChEBI Sexualhormon ChEBI Sexualhormone ChEBI hormone sexuelle ChEBI hormones sexuelles ChEBI sex hormones ChEBI A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. Wikipedia:Estrogen chebi_ontology Estrogene Oestrogen Oestrogene estrogene estrogenes estrogenes Hormon estrogeno estrogenos estrogens oestrogen oestrogene oestrogenes oestrogens CHEBI:50114 estrogen Estrogene ChEBI Oestrogen ChEBI Oestrogene ChEBI estrogene ChEBI estrogenes ChEBI estrogenes Hormon ChEBI estrogeno ChEBI estrogenos ChEBI estrogens ChEBI oestrogen ChEBI oestrogene ChEBI oestrogenes ChEBI oestrogens ChEBI 0 CF3 69.00591 68.99521 C(F)(*)(F)F trifluoromethyl chebi_ontology -CF3 CHEBI:50127 trifluoromethyl group trifluoromethyl IUPAC -CF3 IUPAC A drug used to treat or prevent skin disorders or for the routine care of skin. chebi_ontology dermatologic agent dermatologic drugs dermatological agent CHEBI:50177 dermatologic drug dermatologic agent ChEBI dermatologic drugs ChEBI dermatological agent ChEBI A compound which inhibits the movement of an ion across an energy-transducing cell membrane. chebi_ontology ion transport inhibitors ion-transport inhibitor ion-transport inhibitors CHEBI:50184 ion transport inhibitor ion transport inhibitors ChEBI ion-transport inhibitor ChEBI ion-transport inhibitors ChEBI An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*). CHEBI:76774 chebi_ontology EC 3.1.4.* (phosphoric diester hydrolase) inhibitors phosphodiesterase inhibitor phosphodiesterase inhibitors phosphoric diester hydrolase (EC 3.1.4.*) inhibitor phosphoric diester hydrolase (EC 3.1.4.*) inhibitors phosphoric diester hydrolase inhibitor phosphoric diester hydrolase inhibitors CHEBI:50218 EC 3.1.4.* (phosphoric diester hydrolase) inhibitor EC 3.1.4.* (phosphoric diester hydrolase) inhibitors ChEBI phosphodiesterase inhibitor ChEBI phosphodiesterase inhibitors ChEBI phosphoric diester hydrolase (EC 3.1.4.*) inhibitor ChEBI phosphoric diester hydrolase (EC 3.1.4.*) inhibitors ChEBI phosphoric diester hydrolase inhibitor ChEBI phosphoric diester hydrolase inhibitors ChEBI A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. PMID:23993918 PMID:23998799 PMID:24329110 PMID:24628402 PMID:24709544 PMID:25144792 PMID:25157234 PMID:25269430 PMID:25391982 PMID:25591121 PMID:25620096 PMID:25795057 PMID:26028253 PMID:26184144 PMID:28070577 PMID:28215138 PMID:28219047 PMID:28259775 PMID:28319647 PMID:28329729 PMID:28334528 Wikipedia:Prodrug chebi_ontology Prodrugs CHEBI:50266 prodrug PMID:23993918 Europe PMC PMID:23998799 Europe PMC PMID:24329110 Europe PMC PMID:24628402 Europe PMC PMID:24709544 Europe PMC PMID:25144792 Europe PMC PMID:25157234 Europe PMC PMID:25269430 Europe PMC PMID:25391982 Europe PMC PMID:25591121 Europe PMC PMID:25620096 Europe PMC PMID:25795057 Europe PMC PMID:26028253 Europe PMC PMID:26184144 Europe PMC PMID:28070577 Europe PMC PMID:28215138 Europe PMC PMID:28219047 Europe PMC PMID:28259775 Europe PMC PMID:28319647 Europe PMC PMID:28329729 Europe PMC PMID:28334528 Europe PMC Prodrugs ChEBI Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. chebi_ontology chemoprotectant chemoprotectants chemoprotective agent chemoprotective agents protective agents CHEBI:50267 protective agent chemoprotectant ChEBI chemoprotectants ChEBI chemoprotective agent ChEBI chemoprotective agents ChEBI protective agents ChEBI chebi_ontology canonical nucleotide residues CHEBI:50297 canonical nucleotide residue canonical nucleotide residues ChEBI chebi_ontology canonical ribonucleotide residues CHEBI:50299 canonical ribonucleotide residue canonical ribonucleotide residues ChEBI chebi_ontology CHEBI:50312 onium compound Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families. onium cations chebi_ontology onium cations onium ion onium ions CHEBI:50313 onium cation onium cations IUPAC onium cations ChEBI onium ion ChEBI onium ions ChEBI +1 FH2 InChI=1S/FH2/h1H2/q+1 YNESUKSMQODWNS-UHFFFAOYSA-N 21.01428 21.01350 [H][F+][H] fluoranium fluoronium chebi_ontology H2F(+) [FH2](+) CHEBI:50314 fluoronium fluoranium IUPAC fluoronium IUPAC H2F(+) IUPAC [FH2](+) ChEBI +1 ClH2 InChI=1S/ClH2/h1H2/q+1 IGJWHVUMEJASKV-UHFFFAOYSA-N 37.46858 36.98395 [H][Cl+][H] Gmelin:331 chloranium chloronium chebi_ontology H2Cl(+) [ClH2](+) CHEBI:50315 chloronium Gmelin:331 Gmelin chloranium IUPAC chloronium IUPAC H2Cl(+) IUPAC [ClH2](+) IUPAC +1 BrH2 InChI=1S/BrH2/h1H2/q+1 IWNNBBVLEFUBNE-UHFFFAOYSA-N 81.91988 80.93344 [H][Br+][H] Gmelin:719134 bromanium bromonium chebi_ontology H2Br(+) [BrH2](+) CHEBI:50316 bromonium Gmelin:719134 Gmelin bromanium IUPAC bromonium IUPAC H2Br(+) IUPAC [BrH2](+) ChEBI +1 H2I InChI=1S/H2I/h1H2/q+1 MGFYSGNNHQQTJW-UHFFFAOYSA-N 128.92035 128.91957 [H][I+][H] Gmelin:1425841 iodanium iodonium chebi_ontology H2I(+) [IH2](+) CHEBI:50317 iodonium Gmelin:1425841 Gmelin iodanium IUPAC iodonium IUPAC H2I(+) IUPAC [IH2](+) IUPAC chebi_ontology nucleotide residues CHEBI:50319 nucleotide residue nucleotide residues ChEBI chebi_ontology nucleoside residues CHEBI:50320 nucleoside residue nucleoside residues ChEBI A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid. chebi_ontology canonical amino-acid side-chain canonical amino-acid side-chains proteinogenic amino-acid side-chain proteinogenic amino-acid side-chain groups proteinogenic amino-acid side-chains CHEBI:50325 proteinogenic amino-acid side-chain group canonical amino-acid side-chain ChEBI canonical amino-acid side-chains ChEBI proteinogenic amino-acid side-chain ChEBI proteinogenic amino-acid side-chain groups ChEBI proteinogenic amino-acid side-chains ChEBI 0 CH3S 47.10052 46.99555 SC* sulfanylmethyl chebi_ontology -CH2-SH HS-CH2- cysteine side-chain CHEBI:50326 sulfanylmethyl group sulfanylmethyl IUPAC -CH2-SH IUPAC HS-CH2- IUPAC cysteine side-chain ChEBI 0 C4H10N 72.12894 72.08132 NCCCC* 4-aminobutyl chebi_ontology lysine side-chain CHEBI:50339 4-aminobutyl group 4-aminobutyl IUPAC lysine side-chain ChEBI Any of the macrolides obtained as fermentation products from the bacterium Streptomyces avermitilis and consisting of a 16-membered macrocyclic backbone that is fused both benzofuran and spiroketal functions and contains a disaccharide substituent. They have significant anthelmintic and insecticidal properties. PMID:22039784 PMID:22039799 PMID:22542398 PMID:23165468 PMID:8688633 Wikipedia:Avermectin avermectin chebi_ontology avermectins CHEBI:50344 avermectin PMID:22039784 Europe PMC PMID:22039799 Europe PMC PMID:22542398 Europe PMC PMID:23165468 Europe PMC PMID:8688633 Europe PMC avermectin ChEBI avermectins ChEBI chebi_ontology organic iodide salts CHEBI:50356 organic iodide salt organic iodide salts ChEBI A group derived from a haloalkane by removal of a hydrogen atom. chebi_ontology haloalkyl groups CHEBI:50491 haloalkyl group haloalkyl groups ChEBI Compounds containing a bipyridine group. chebi_ontology bipyridyls CHEBI:50511 bipyridines bipyridyls ChEBI A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. 0 C4H4O2 84.074 84.02113 CHEBI:22960 CHEBI:38121 Wikipedia:Butenolide furan-2-one chebi_ontology 2-furanone butenolides CHEBI:50523 butenolide furan-2-one IUPAC 2-furanone ChEBI butenolides ChEBI An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position. CHEBI:22937 CHEBI:50581 chebi_ontology alkyl alcohols hydroxyalkane hydroxyalkanes CHEBI:50584 alkyl alcohol alkyl alcohols ChEBI hydroxyalkane ChEBI hydroxyalkanes ChEBI A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. chebi_ontology Dietary Supplement Food Supplementation Nutritional supplement CHEBI:50733 nutraceutical Dietary Supplement ChEBI Food Supplementation ChEBI Nutritional supplement ChEBI A nanometre sized object. chebi_ontology nanoestructura CHEBI:50795 nanostructure nanoestructura ChEBI A nanosized spherical or capsule-shaped structure. chebi_ontology NP Nanoteilchen nanoparticles nanoparticula nanoparticule CHEBI:50803 nanoparticle NP ChEBI Nanoteilchen ChEBI nanoparticles ChEBI nanoparticula ChEBI nanoparticule ChEBI A nanoparticle consisting of silver atoms. 0 Ag 107.868 106.90510 PMID:22128035 PMID:22148238 Wikipedia:Silver_nanoparticles chebi_ontology Ag nanoparticle Ag nanoparticles AgNP silver nanoparticles CHEBI:50826 silver nanoparticle PMID:22128035 Europe PMC PMID:22148238 Europe PMC Ag nanoparticle ChEBI Ag nanoparticles ChEBI AgNP ChEBI silver nanoparticles ChEBI Biologically active substance whose activity affects or plays a role in the functioning of the immune system. Wikipedia:Immunotherapy chebi_ontology Biomodulator Immune factor Immunologic factor Immunological factor immunomodulators CHEBI:50846 immunomodulator Biomodulator ChEBI Immune factor ChEBI Immunologic factor ChEBI Immunological factor ChEBI immunomodulators ChEBI A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. Wikipedia:Immunologic_adjuvant chebi_ontology Immunoactivator Immunoadjuvant Immunologic adjuvant Immunopotentiator Immunostimulant CHEBI:50847 immunological adjuvant Immunoactivator ChEBI Immunoadjuvant ChEBI Immunologic adjuvant ChEBI Immunopotentiator ChEBI Immunostimulant ChEBI A drug used to treat allergic reactions. chebi_ontology anti-allergic agents anti-allergic drug anti-allergic drugs CHEBI:50857 anti-allergic agent anti-allergic agents ChEBI anti-allergic drug ChEBI anti-allergic drugs ChEBI Any molecular entity that contains carbon. CHEBI:25700 CHEBI:33244 chebi_ontology organic compounds organic entity organic molecular entities CHEBI:50860 organic molecular entity organic compounds ChEBI organic entity ChEBI organic molecular entities ChEBI chebi_ontology azaarenes CHEBI:50893 azaarene azaarenes ChEBI A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. Wikipedia:Genotoxicity chebi_ontology genotoxic agent genotoxic agents genotoxins CHEBI:50902 genotoxin genotoxic agent ChEBI genotoxic agents ChEBI genotoxins ChEBI A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. chebi_ontology agente carcinogeno cancerigene cancerogene carcinogen carcinogene carcinogenic agents carcinogeno carcinogens CHEBI:50903 carcinogenic agent agente carcinogeno ChEBI cancerigene ChEBI cancerogene ChEBI carcinogen ChEBI carcinogene ChEBI carcinogenic agents ChEBI carcinogeno ChEBI carcinogens ChEBI A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Wikipedia:Allergen chebi_ontology alergeno allergene allergenic agent CHEBI:50904 allergen alergeno ChEBI allergene ChEBI allergenic agent ChEBI A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. chebi_ontology agent teratogene teratogen teratogeno CHEBI:50905 teratogenic agent agent teratogene ChEBI teratogen ChEBI teratogeno ChEBI A role is particular behaviour which a material entity may exhibit. chebi_ontology CHEBI:50906 role A poison that interferes with the functions of the nervous system. CHEBI:50911 Wikipedia:Neurotoxin chebi_ontology agente neurotoxico nerve poison nerve poisons neurotoxic agent neurotoxic agents neurotoxicant neurotoxins CHEBI:50910 neurotoxin agente neurotoxico ChEBI nerve poison ChEBI nerve poisons ChEBI neurotoxic agent ChEBI neurotoxic agents ChEBI neurotoxicant ChEBI neurotoxins ChEBI An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine. CHEBI:75764 chebi_ontology A-kinase inhibitor A-kinase inhibitors AP50 kinase inhibitor AP50 kinase inhibitors ATP-protein transphosphorylase inhibitor ATP-protein transphosphorylase inhibitors ATP:protein phosphotransferase (non-specific) inhibitor ATP:protein phosphotransferase (non-specific) inhibitors BR serine/threonine-protein kinase 2 inhibitor BR serine/threonine-protein kinase 2 inhibitors CK-2 inhibitor CK-2 inhibitors CKI inhibitor CKI inhibitors CKII inhibitor CKII inhibitors EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors EC 2.7.11.1 inhibitor EC 2.7.11.1 inhibitors HIPK2 inhibitor HIPK2 inhibitors Hpr kinase inhibitor Hpr kinase inhibitors M phase-specific cdc2 kinase inhibitor M phase-specific cdc2 kinase inhibitors MKNK2 inhibitor MKNK2 inhibitors PAK-1 inhibitor PAK-1 inhibitors PAK1 inhibitor PAK1 inhibitors PKA inhibitor PKA inhibitors Prp4 protein kinase inhibitor Prp4 protein kinase inhibitors Raf kinase inhibitor Raf kinase inhibitors Raf-1 inhibitor Raf-1 inhibitors STK32 inhibitor STK32 inhibitors T-antigen kinase inhibitor T-antigen kinase inhibitors WEE1Hu inhibitor WEE1Hu inhibitors Wee 1-like kinase inhibitor Wee 1-like kinase inhibitors Wee-kinase inhibitor Wee-kinase inhibitors betaIIPKC inhibitor betaIIPKC inhibitors cAMP-dependent protein kinase A inhibitor cAMP-dependent protein kinase A inhibitors cAMP-dependent protein kinase inhibitor cAMP-dependent protein kinase inhibitors cGMP-dependent protein kinase inhibitor cGMP-dependent protein kinase inhibitors calcium-dependent protein kinase C inhibitor calcium-dependent protein kinase C inhibitors calcium/phospholipid-dependent protein kinase inhibitor calcium/phospholipid-dependent protein kinase inhibitors casein kinase (phosphorylating) inhibitor casein kinase (phosphorylating) inhibitors casein kinase 2 inhibitor casein kinase 2 inhibitors casein kinase I inhibitor casein kinase I inhibitors casein kinase II inhibitor casein kinase II inhibitors casein kinase inhibitor casein kinase inhibitors cyclic AMP-dependent protein kinase A inhibitor cyclic AMP-dependent protein kinase A inhibitors cyclic AMP-dependent protein kinase inhibitor cyclic AMP-dependent protein kinase inhibitors cyclic monophosphate-dependent protein kinase inhibitor cyclic monophosphate-dependent protein kinase inhibitors cyclic nucleotide-dependent protein kinase inhibitor cyclic nucleotide-dependent protein kinase inhibitors cyclin-dependent kinase inhibitor cyclin-dependent kinase inhibitors dsk1 inhibitor dsk1 inhibitors epsilon PKC inhibitor epsilon PKC inhibitors glycogen synthase a kinase inhibitor glycogen synthase a kinase inhibitors glycogen synthase kinase inhibitor glycogen synthase kinase inhibitors hydroxyalkyl-protein kinase inhibitor hydroxyalkyl-protein kinase inhibitors mitogen-activated S6 kinase inhibitor mitogen-activated S6 kinase inhibitors non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitor non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitors non-specific serine/threonine protein kinase inhibitor non-specific serine/threonine protein kinase inhibitors p21 activated kinase-1 inhibitor p21 activated kinase-1 inhibitors p82 kinase inhibitor p82 kinase inhibitors phosphorylase b kinase kinase inhibitor phosphorylase b kinase kinase inhibitors protein glutamyl kinase inhibitor protein glutamyl kinase inhibitors protein kinase (phosphorylating) inhibitor protein kinase (phosphorylating) inhibitors protein kinase A inhibitor protein kinase A inhibitors protein kinase CK2 inhibitor protein kinase CK2 inhibitors protein kinase p58 inhibitor protein kinase p58 inhibitors protein phosphokinase inhibitor protein phosphokinase inhibitors protein serine kinase inhibitor protein serine kinase inhibitors protein serine-threonine kinase inhibitor protein serine-threonine kinase inhibitors protein-aspartyl kinase inhibitor protein-aspartyl kinase inhibitors protein-cysteine kinase inhibitor protein-cysteine kinase inhibitors protein-serine kinase inhibitor protein-serine kinase inhibitors protein-serine/threonine kinase inhibitors ribosomal S6 protein kinase inhibitor ribosomal S6 protein kinase inhibitors ribosomal protein S6 kinase II inhibitor ribosomal protein S6 kinase II inhibitors serine kinase inhibitor serine kinase inhibitors serine protein kinase inhibitor serine protein kinase inhibitors serine(threonine) protein kinase inhibitor serine(threonine) protein kinase inhibitors serine-specific protein kinase inhibitor serine-specific protein kinase inhibitors serine/threonine protein kinase inhibitor serine/threonine protein kinase inhibitors threonine-specific protein kinase inhibitor threonine-specific protein kinase inhibitors twitchin kinase inhibitor twitchin kinase inhibitors type-2 casein kinase inhibitor type-2 casein kinase inhibitors CHEBI:50925 EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor A-kinase inhibitor ChEBI A-kinase inhibitors ChEBI AP50 kinase inhibitor ChEBI AP50 kinase inhibitors ChEBI ATP-protein transphosphorylase inhibitor ChEBI ATP-protein transphosphorylase inhibitors ChEBI ATP:protein phosphotransferase (non-specific) inhibitor ChEBI ATP:protein phosphotransferase (non-specific) inhibitors ChEBI BR serine/threonine-protein kinase 2 inhibitor ChEBI BR serine/threonine-protein kinase 2 inhibitors ChEBI CK-2 inhibitor ChEBI CK-2 inhibitors ChEBI CKI inhibitor ChEBI CKI inhibitors ChEBI CKII inhibitor ChEBI CKII inhibitors ChEBI EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors ChEBI EC 2.7.11.1 inhibitor ChEBI EC 2.7.11.1 inhibitors ChEBI HIPK2 inhibitor ChEBI HIPK2 inhibitors ChEBI Hpr kinase inhibitor ChEBI Hpr kinase inhibitors ChEBI M phase-specific cdc2 kinase inhibitor ChEBI M phase-specific cdc2 kinase inhibitors ChEBI MKNK2 inhibitor ChEBI MKNK2 inhibitors ChEBI PAK-1 inhibitor ChEBI PAK-1 inhibitors ChEBI PAK1 inhibitor ChEBI PAK1 inhibitors ChEBI PKA inhibitor ChEBI PKA inhibitors ChEBI Prp4 protein kinase inhibitor ChEBI Prp4 protein kinase inhibitors ChEBI Raf kinase inhibitor ChEBI Raf kinase inhibitors ChEBI Raf-1 inhibitor ChEBI Raf-1 inhibitors ChEBI STK32 inhibitor ChEBI STK32 inhibitors ChEBI T-antigen kinase inhibitor ChEBI T-antigen kinase inhibitors ChEBI WEE1Hu inhibitor ChEBI WEE1Hu inhibitors ChEBI Wee 1-like kinase inhibitor ChEBI Wee 1-like kinase inhibitors ChEBI Wee-kinase inhibitor ChEBI Wee-kinase inhibitors ChEBI betaIIPKC inhibitor ChEBI betaIIPKC inhibitors ChEBI cAMP-dependent protein kinase A inhibitor ChEBI cAMP-dependent protein kinase A inhibitors ChEBI cAMP-dependent protein kinase inhibitor ChEBI cAMP-dependent protein kinase inhibitors ChEBI cGMP-dependent protein kinase inhibitor ChEBI cGMP-dependent protein kinase inhibitors ChEBI calcium-dependent protein kinase C inhibitor ChEBI calcium-dependent protein kinase C inhibitors ChEBI calcium/phospholipid-dependent protein kinase inhibitor ChEBI calcium/phospholipid-dependent protein kinase inhibitors ChEBI casein kinase (phosphorylating) inhibitor ChEBI casein kinase (phosphorylating) inhibitors ChEBI casein kinase 2 inhibitor ChEBI casein kinase 2 inhibitors ChEBI casein kinase I inhibitor ChEBI casein kinase I inhibitors ChEBI casein kinase II inhibitor ChEBI casein kinase II inhibitors ChEBI casein kinase inhibitor ChEBI casein kinase inhibitors ChEBI cyclic AMP-dependent protein kinase A inhibitor ChEBI cyclic AMP-dependent protein kinase A inhibitors ChEBI cyclic AMP-dependent protein kinase inhibitor ChEBI cyclic AMP-dependent protein kinase inhibitors ChEBI cyclic monophosphate-dependent protein kinase inhibitor ChEBI cyclic monophosphate-dependent protein kinase inhibitors ChEBI cyclic nucleotide-dependent protein kinase inhibitor ChEBI cyclic nucleotide-dependent protein kinase inhibitors ChEBI cyclin-dependent kinase inhibitor ChEBI cyclin-dependent kinase inhibitors ChEBI dsk1 inhibitor ChEBI dsk1 inhibitors ChEBI epsilon PKC inhibitor ChEBI epsilon PKC inhibitors ChEBI glycogen synthase a kinase inhibitor ChEBI glycogen synthase a kinase inhibitors ChEBI glycogen synthase kinase inhibitor ChEBI glycogen synthase kinase inhibitors ChEBI hydroxyalkyl-protein kinase inhibitor ChEBI hydroxyalkyl-protein kinase inhibitors ChEBI mitogen-activated S6 kinase inhibitor ChEBI mitogen-activated S6 kinase inhibitors ChEBI non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitor ChEBI non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitors ChEBI non-specific serine/threonine protein kinase inhibitor ChEBI non-specific serine/threonine protein kinase inhibitors ChEBI p21 activated kinase-1 inhibitor ChEBI p21 activated kinase-1 inhibitors ChEBI p82 kinase inhibitor ChEBI p82 kinase inhibitors ChEBI phosphorylase b kinase kinase inhibitor ChEBI phosphorylase b kinase kinase inhibitors ChEBI protein glutamyl kinase inhibitor ChEBI protein glutamyl kinase inhibitors ChEBI protein kinase (phosphorylating) inhibitor ChEBI protein kinase (phosphorylating) inhibitors ChEBI protein kinase A inhibitor ChEBI protein kinase A inhibitors ChEBI protein kinase CK2 inhibitor ChEBI protein kinase CK2 inhibitors ChEBI protein kinase p58 inhibitor ChEBI protein kinase p58 inhibitors ChEBI protein phosphokinase inhibitor ChEBI protein phosphokinase inhibitors ChEBI protein serine kinase inhibitor ChEBI protein serine kinase inhibitors ChEBI protein serine-threonine kinase inhibitor ChEBI protein serine-threonine kinase inhibitors ChEBI protein-aspartyl kinase inhibitor ChEBI protein-aspartyl kinase inhibitors ChEBI protein-cysteine kinase inhibitor ChEBI protein-cysteine kinase inhibitors ChEBI protein-serine kinase inhibitor ChEBI protein-serine kinase inhibitors ChEBI protein-serine/threonine kinase inhibitors ChEBI ribosomal S6 protein kinase inhibitor ChEBI ribosomal S6 protein kinase inhibitors ChEBI ribosomal protein S6 kinase II inhibitor ChEBI ribosomal protein S6 kinase II inhibitors ChEBI serine kinase inhibitor ChEBI serine kinase inhibitors ChEBI serine protein kinase inhibitor ChEBI serine protein kinase inhibitors ChEBI serine(threonine) protein kinase inhibitor ChEBI serine(threonine) protein kinase inhibitors ChEBI serine-specific protein kinase inhibitor ChEBI serine-specific protein kinase inhibitors ChEBI serine/threonine protein kinase inhibitor ChEBI serine/threonine protein kinase inhibitors ChEBI threonine-specific protein kinase inhibitor ChEBI threonine-specific protein kinase inhibitors ChEBI twitchin kinase inhibitor ChEBI twitchin kinase inhibitors ChEBI type-2 casein kinase inhibitor ChEBI type-2 casein kinase inhibitors ChEBI A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent. Wikipedia:Selective_serotonin_reuptake_inhibitor chebi_ontology SSRI serotonin reuptake inhibitor CHEBI:50949 serotonin uptake inhibitor SSRI ChEBI serotonin reuptake inhibitor ChEBI A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group. chebi_ontology primary amino compounds CHEBI:50994 primary amino compound primary amino compounds ChEBI A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups. chebi_ontology secondary amino compounds CHEBI:50995 secondary amino compound secondary amino compounds ChEBI A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups. chebi_ontology tertiary amino compounds CHEBI:50996 tertiary amino compound tertiary amino compounds ChEBI A cyclic compound containing nine or more atoms as part of the cyclic system. Wikipedia:Macrocycle macrocycle chebi_ontology Makrocyclen Makrozyklen macrocycles makrocyclische Verbindungen makrozyklische Verbindungen CHEBI:51026 macrocycle macrocycle IUPAC Makrocyclen ChEBI Makrozyklen ChEBI macrocycles ChEBI makrocyclische Verbindungen ChEBI makrozyklische Verbindungen ChEBI A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. chebi_ontology hormone receptor modulators CHEBI:51061 hormone receptor modulator hormone receptor modulators ChEBI chebi_ontology organic halide salts CHEBI:51069 organic halide salt organic halide salts ChEBI A colchicine that has (R)-configuration. 0 C22H25NO6 InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1 IAKHMKGGTNLKSZ-MRXNPFEDSA-N 399.43704 399.16819 COc1cc2CC[C@@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC Beilstein:3226657 CAS:75520-89-7 Chemspider:48121 PMID:28959419 PMID:7265112 N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide chebi_ontology (+)-colchicine (R)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide CHEBI:51074 (R)-colchicine Beilstein:3226657 Beilstein CAS:75520-89-7 ChemIDplus CAS:75520-89-7 NIST Chemistry WebBook PMID:28959419 Europe PMC PMID:7265112 Europe PMC N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide IUPAC (+)-colchicine ChemIDplus (R)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide ChEBI A role played by the molecular entity or part thereof within a chemical context. chebi_ontology CHEBI:51086 chemical role A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere. 0 C18H20N2 InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3 UEQUQVLFIPOEMF-UHFFFAOYSA-N 264.36480 264.16265 CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Beilstein:755346 CAS:24219-97-4 DrugBank:DB06148 Drug_Central:1796 LINCS:LSM-1374 PMID:18033297 PMID:20825390 Patent:NL6603256 Patent:US3534041 Wikipedia:Mianserin 2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine chebi_ontology 1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine mianserin mianserina mianserine mianserinum CHEBI:51137 mianserin Beilstein:755346 Beilstein CAS:24219-97-4 ChemIDplus Drug_Central:1796 DrugCentral PMID:18033297 Europe PMC PMID:20825390 Europe PMC 2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine IUPAC 1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine ChemIDplus mianserin WHO_MedNet mianserina WHO_MedNet mianserine WHO_MedNet mianserinum WHO_MedNet CHEBI:25556 CHEBI:7594 KEGG:C06061 chebi_ontology Nitrogenous compounds nitrogen compounds nitrogen molecular entities CHEBI:51143 nitrogen molecular entity Nitrogenous compounds KEGG_COMPOUND nitrogen compounds ChEBI nitrogen molecular entities ChEBI An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case. chebi_ontology dipolar compounds CHEBI:51151 dipolar compound dipolar compounds ChEBI A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. 0 C17H18F3NO 309.32610 309.13405 Beilstein:39914106 CAS:54910-89-3 DrugBank:DB00472 HMDB:HMDB0014615 KEGG:D00326 PMID:19144769 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24184049 PMID:24399719 PMID:24464553 PMID:24997906 PMID:25448156 PMID:25639887 PMID:25671301 PMID:8694321 Patent:DE2500110 Patent:US4314081 Reaxys:3991406 Wikipedia:Fluoxetine rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine (+-)-N-methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine Prozac fluoxetina fluoxetine fluoxetinum CHEBI:5118 fluoxetine Beilstein:39914106 Beilstein CAS:54910-89-3 ChemIDplus CAS:54910-89-3 KEGG DRUG PMID:19144769 Europe PMC PMID:22903652 Europe PMC PMID:22923967 Europe PMC PMID:23885544 Europe PMC PMID:24184049 Europe PMC PMID:24399719 Europe PMC PMID:24464553 Europe PMC PMID:24997906 Europe PMC PMID:25448156 Europe PMC PMID:25639887 Europe PMC PMID:25671301 Europe PMC PMID:8694321 Europe PMC Reaxys:3991406 Reaxys rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC (+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine ChemIDplus (+-)-N-methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine ChemIDplus Prozac DrugBank fluoxetina ChemIDplus fluoxetine KEGG_DRUG fluoxetine WHO_MedNet fluoxetinum ChemIDplus A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'. 0 COSR2 60.07500 59.96699 [*]C(=O)S[*] chebi_ontology a thioester thio ester thioesters thiol ester CHEBI:51277 thioester a thioester UniProt thio ester ChEBI thioesters ChEBI thiol ester ChEBI 0 C3H6OS InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3 OATSQCXMYKYFQO-UHFFFAOYSA-N 90.14514 90.01394 CSC(C)=O CHEBI:38533 CHEBI:51279 Beilstein:1736664 CAS:1534-08-3 Gmelin:1316927 S-methyl ethanethioate chebi_ontology CH3C(O)SCH3 ethanethioic acid, S-methyl ester methanethiol acetate methyl ethanethioate methyl thioacetate methylthioacetate thioacetic acid S-methyl ester CHEBI:51280 S-methyl thioacetate Beilstein:1736664 Beilstein CAS:1534-08-3 ChemIDplus CAS:1534-08-3 NIST Chemistry WebBook Gmelin:1316927 Gmelin S-methyl ethanethioate IUPAC CH3C(O)SCH3 NIST_Chemistry_WebBook ethanethioic acid, S-methyl ester ChemIDplus methanethiol acetate ChemIDplus methyl ethanethioate NIST_Chemistry_WebBook methyl thioacetate ChemIDplus methylthioacetate ChemIDplus thioacetic acid S-methyl ester NIST_Chemistry_WebBook An alkaloid based on a cinchonan skeleton. chebi_ontology cinchona alkaloids CHEBI:51323 cinchona alkaloid cinchona alkaloids ChEBI A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis. chebi_ontology muscle relaxants CHEBI:51371 muscle relaxant muscle relaxants ChEBI A drug used for its actions on skeletal muscle. chebi_ontology CHEBI:51372 neuromuscular agent A drug that binds to and activates gamma-aminobutyric acid receptors. chebi_ontology GABA agonists GABA receptor agonist GABA receptor agonists gamma-aminobutyric acid receptor agonist gamma-aminobutyric acid receptor agonists CHEBI:51373 GABA agonist GABA agonists ChEBI GABA receptor agonist ChEBI GABA receptor agonists ChEBI gamma-aminobutyric acid receptor agonist ChEBI gamma-aminobutyric acid receptor agonists ChEBI A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems. chebi_ontology CHEBI:51374 GABA agent Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s). chebi_ontology organodiyl groups CHEBI:51422 organodiyl group organodiyl groups ChEBI chebi_ontology CHEBI:51446 organic divalent group chebi_ontology CHEBI:51447 organic univalent group An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position. 0 C3OR4 52.03150 51.99491 [*]\C([*])=C(\[*])C([*])=O Wikipedia:Enone chebi_ontology enones CHEBI:51689 enone enones ChEBI An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. 0 C3O2R4 68.03090 67.98983 [*]\C([*])=C(\[*])C(=O)O[*] chebi_ontology enoate enoate esters enoates CHEBI:51702 enoate ester enoate ChEBI enoate esters ChEBI enoates ChEBI A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated ketones CHEBI:51721 alpha,beta-unsaturated ketone alpha,beta-unsaturated ketones ChEBI A carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) or R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position. chebi_ontology alpha,beta-unsaturated carboxylic esters CHEBI:51737 alpha,beta-unsaturated carboxylic ester alpha,beta-unsaturated carboxylic esters ChEBI A ketone of formula RC(=O)CH3 (R =/= H). chebi_ontology methyl ketones CHEBI:51867 methyl ketone methyl ketones ChEBI A diketone that has its two ketone functionalities on adjacent atoms. chebi_ontology alpha-diketones CHEBI:51869 alpha-diketone alpha-diketones ChEBI chebi_ontology organic polycyclic compounds CHEBI:51958 organic polycyclic compound organic polycyclic compounds ChEBI chebi_ontology organic tricyclic compounds CHEBI:51959 organic tricyclic compound organic tricyclic compounds ChEBI An organic anion that is the conjugate base of methanol. -1 CH3O InChI=1S/CH3O/c1-2/h1H3/q-1 NBTOZLQBSIZIKS-UHFFFAOYSA-N 31.03390 31.01894 C[O-] Reaxys:1839368 chebi_ontology methoxide ion CHEBI:52090 methoxide Reaxys:1839368 Reaxys methoxide ion ChEBI An organic anion that is the conjugate base of ethanol. -1 C2H5O InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1 HHFAWKCIHAUFRX-UHFFFAOYSA-N 45.06050 45.03459 CC[O-] Reaxys:1839415 chebi_ontology ethoxy anion CHEBI:52092 ethoxide Reaxys:1839415 Reaxys ethoxy anion ChEBI A biological role played by the molecular entity or part thereof within a biochemical context. chebi_ontology CHEBI:52206 biochemical role chebi_ontology CHEBI:52208 biophysical role A role played by the molecular entity or part thereof which causes the development of a pathological process. chebi_ontology etiopathogenetic agent etiopathogenetic role CHEBI:52209 aetiopathogenetic role etiopathogenetic agent ChEBI etiopathogenetic role ChEBI A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties. chebi_ontology CHEBI:52210 pharmacological role chebi_ontology CHEBI:52211 physiological role Any substance introduced into a living organism with therapeutic or diagnostic purpose. CHEBI:33293 CHEBI:33294 chebi_ontology farmaco medicament pharmaceuticals CHEBI:52217 pharmaceutical farmaco ChEBI medicament ChEBI pharmaceuticals ChEBI A chemical substance that encourages a cell to commence cell division, triggering mitosis. chebi_ontology mitogens CHEBI:52290 mitogen mitogens ChEBI A diterpenoid with a tetracyclic skeleton. chebi_ontology tetracyclic diterpenoids CHEBI:52557 tetracyclic diterpenoid tetracyclic diterpenoids ChEBI quinolinium ion chebi_ontology quinolinium ions CHEBI:52837 quinolinium ion quinolinium ion ChEBI quinolinium ions ChEBI An organic group that consists of a closed ring. It may be a substituent or a skeleton. chebi_ontology cyclic organic groups CHEBI:52845 cyclic organic group cyclic organic groups ChEBI A nanoparticle that contains no carbon. chebi_ontology inorganic nanoparticles CHEBI:52855 inorganic nanoparticle inorganic nanoparticles ChEBI The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. chebi_ontology antigenic determinant epitope function epitope role CHEBI:53000 epitope antigenic determinant ChEBI epitope function ChEBI epitope role ChEBI An antagonist at the A2A receptor. Wikipedia:Adenosine_A2A_receptor chebi_ontology adenosine A2A receptor antagonists CHEBI:53121 adenosine A2A receptor antagonist adenosine A2A receptor antagonists ChEBI Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). chebi_ontology iso-cyanates CHEBI:53212 isocyanates iso-cyanates ChEBI A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. chebi_ontology gastrointestinal agent gastrointestinal agents gastrointestinal drugs CHEBI:55324 gastrointestinal drug gastrointestinal agent ChEBI gastrointestinal agents ChEBI gastrointestinal drugs ChEBI Oxazoles in which the N and O atoms are adjacent. CHEBI:46813 isoxazoles chebi_ontology 1,2-oxazoles CHEBI:55373 isoxazoles isoxazoles ChEBI 1,2-oxazoles ChEBI An oxazolidine containing one or more oxo groups. chebi_ontology oxazolidinedione oxazolidinediones oxazolidinones CHEBI:55374 oxazolidinone oxazolidinedione ChEBI oxazolidinediones ChEBI oxazolidinones ChEBI A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position. 0 C2HBrClF3 InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H BCQZXOMGPXTTIC-UHFFFAOYSA-N 197.38125 195.89022 [H]C(Cl)(Br)C(F)(F)F Beilstein:1736947 CAS:151-67-7 DrugBank:DB01159 Drug_Central:1356 Gmelin:793752 KEGG:C07515 KEGG:D00542 PMID:7519986 VSDB:1806 Wikipedia:Halothane 2-bromo-2-chloro-1,1,1-trifluoroethane Halothane chebi_ontology 1,1,1-trifluoro-2-bromo-2-chloroethane 1,1,1-trifluoro-2-chloro-2-bromoethane 1-bromo-1-chloro-2,2,2-trifluoroethane 2,2,2-trifluoro-1-chloro-1-bromoethane 2-bromo-2-chloro-1,1,1-trifluoroethane Fluothane Narcotane Phthorothanum Rhodialothan bromochlorotrifluoroethane CHEBI:5615 halothane Beilstein:1736947 Beilstein CAS:151-67-7 ChemIDplus CAS:151-67-7 KEGG COMPOUND CAS:151-67-7 NIST Chemistry WebBook Drug_Central:1356 DrugCentral Gmelin:793752 Gmelin PMID:7519986 Europe PMC 2-bromo-2-chloro-1,1,1-trifluoroethane IUPAC Halothane KEGG_COMPOUND 1,1,1-trifluoro-2-bromo-2-chloroethane NIST_Chemistry_WebBook 1,1,1-trifluoro-2-chloro-2-bromoethane NIST_Chemistry_WebBook 1-bromo-1-chloro-2,2,2-trifluoroethane NIST_Chemistry_WebBook 2,2,2-trifluoro-1-chloro-1-bromoethane NIST_Chemistry_WebBook 2-bromo-2-chloro-1,1,1-trifluoroethane NIST_Chemistry_WebBook Fluothane NIST_Chemistry_WebBook Narcotane ChemIDplus Phthorothanum ChemIDplus Rhodialothan NIST_Chemistry_WebBook bromochlorotrifluoroethane NIST_Chemistry_WebBook A cyclic compound having as ring members atoms of at least two different elements. Heterocyclic compound chebi_ontology compuesto heterociclico compuestos heterociclicos heterocycle heterocyclic compounds CHEBI:5686 heterocyclic compound Heterocyclic compound KEGG_COMPOUND compuesto heterociclico IUPAC compuestos heterociclicos IUPAC heterocycle ChEBI heterocyclic compounds ChEBI A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. -3 C10H13N5O13P3 InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-K 504.15720 503.97392 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O Beilstein:9535056 chebi_ontology CHEBI:57299 ATP(3-) Beilstein:9535056 Beilstein The conjugate base of a nucleoside 5'-phosphate. -2 C5H7O6PR2 194.07920 193.99802 O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP([O-])([O-])=O chebi_ontology a nucleoside 5'-phosphate nucleoside 5'-phosphate dianions CHEBI:57867 nucleoside 5'-phosphate dianion a nucleoside 5'-phosphate UniProt nucleoside 5'-phosphate dianions ChEBI An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3. +1 C10H13N2 InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1 APJYDQYYACXCRM-UHFFFAOYSA-O 161.22310 161.10732 [NH3+]CCc1c[nH]c2ccccc12 Gmelin:533978 2-(1H-indol-3-yl)ethanaminium chebi_ontology tryptamine tryptaminium cation tryptaminium(1+) CHEBI:57887 tryptaminium Gmelin:533978 Gmelin 2-(1H-indol-3-yl)ethanaminium IUPAC tryptamine UniProt tryptaminium cation ChEBI tryptaminium(1+) ChEBI A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of glutathione; major species at pH 7.3. -1 C10H16N3O6S InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-M 306.310 306.07653 [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-] PMID:4200890 PMID:4745654 chebi_ontology glutathionate glutathionate anion glutathionate ion glutathione CHEBI:57925 glutathionate(1-) PMID:4200890 Europe PMC PMID:4745654 Europe PMC glutathionate ChEBI glutathionate anion ChEBI glutathionate ion ChEBI glutathione UniProt The conjugate acid of a primary aliphatic amine. +1 CH5NR 31.05710 31.04220 [NH3+]C[*] chebi_ontology an aliphatic amine primary aliphatic ammonium cation primary aliphatic ammonium cations primary aliphatic ammonium ions CHEBI:58001 primary aliphatic ammonium ion an aliphatic amine UniProt primary aliphatic ammonium cation ChEBI primary aliphatic ammonium cations ChEBI primary aliphatic ammonium ions ChEBI The conjugate acid of octopamine; major species at pH 7.3. +1 C8H12NO2 InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1 QHGUCRYDKWKLMG-UHFFFAOYSA-O 154.18640 154.08626 [NH3+]CC(O)c1ccc(O)cc1 2-hydroxy-2-(4-hydroxyphenyl)ethanaminium chebi_ontology 2-hydroxy-2-(4-hydroxyphenyl)ethan-1-aminium 4-(2-ammonio-1-hydroxyethyl)phenol 4-(2-azaniumyl-1-hydroxyethyl)phenol octopamine octopaminium cation octopaminium(1+) CHEBI:58025 octopaminium 2-hydroxy-2-(4-hydroxyphenyl)ethanaminium IUPAC 2-hydroxy-2-(4-hydroxyphenyl)ethan-1-aminium ChEBI 4-(2-ammonio-1-hydroxyethyl)phenol ChEBI 4-(2-azaniumyl-1-hydroxyethyl)phenol ChEBI octopamine UniProt octopaminium cation ChEBI octopaminium(1+) ChEBI Trianion of nucleoside triphosphate arising from deprotonation of three of the four free triphosphate OH groups. -3 C5H9O13P3R 370.039 369.92560 [C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)([O-])O)(=O)[O-])(=O)[O-] chebi_ontology NTP trianion NTP(3-) nucleoside triphosphate trianion ribonucleoside triphosphate trianion ribonucleoside triphosphate(3-) CHEBI:58104 nucleoside 5'-triphoshate(3-) NTP trianion ChEBI NTP(3-) ChEBI nucleoside triphosphate trianion ChEBI ribonucleoside triphosphate trianion ChEBI ribonucleoside triphosphate(3-) ChEBI An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. -1 C10H11N5O6P 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)/p-1/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-M 328.19800 328.04524 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O PMID:7870041 PMID:7870042 Reaxys:3720459 adenosine 3',5'-phosphate chebi_ontology 3',5'-cyclic AMP 3',5'-cyclic AMP anion adenosine 3',5'-cyclic monophosphate adenosine 3',5'-cyclic monophosphate anion adenosine 3',5'-cyclic monophosphate(1-) CHEBI:58165 3',5'-cyclic AMP(1-) PMID:7870041 Europe PMC PMID:7870042 Europe PMC Reaxys:3720459 Reaxys adenosine 3',5'-phosphate IUPAC 3',5'-cyclic AMP UniProt 3',5'-cyclic AMP anion ChEBI adenosine 3',5'-cyclic monophosphate ChEBI adenosine 3',5'-cyclic monophosphate anion ChEBI adenosine 3',5'-cyclic monophosphate(1-) ChEBI The conjugate base of a nucleoside 3',5'-cyclic phosphate. -1 C5H6O5PR2 177.07190 176.99528 [O-]P1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1 chebi_ontology a nucleoside 3',5'-cyclic phosphate nucleoside 3',5'-cyclic phosphate anions CHEBI:58464 nucleoside 3',5'-cyclic phosphate anion a nucleoside 3',5'-cyclic phosphate UniProt nucleoside 3',5'-cyclic phosphate anions ChEBI An amino-acid residue protonated on nitrogen. chebi_ontology amino acid cation residue amino acid cation residues amino-acid cation residue amino-acid cation residues cationic amino acid residue cationic amino acid residues cationic amino-acid residues CHEBI:58942 cationic amino-acid residue amino acid cation residue ChEBI amino acid cation residues ChEBI amino-acid cation residue ChEBI amino-acid cation residues ChEBI cationic amino acid residue ChEBI cationic amino acid residues ChEBI cationic amino-acid residues ChEBI An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated. chebi_ontology organophosphate oxoanions CHEBI:58945 organophosphate oxoanion organophosphate oxoanions ChEBI Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6). -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology a short-chain fatty acid short-chain fatty acid anions CHEBI:58951 short-chain fatty acid anion a short-chain fatty acid UniProt short-chain fatty acid anions ChEBI Any fatty acid anion in which there is no C-C unsaturation. chebi_ontology saturated fatty acid anions CHEBI:58953 saturated fatty acid anion saturated fatty acid anions ChEBI Any saturated fatty acid anion lacking a carbon side-chain. chebi_ontology straight-chain saturated fatty acid anions CHEBI:58954 straight-chain saturated fatty acid anion straight-chain saturated fatty acid anions ChEBI The isocyanate that is methane modified by a single isocyanato substituent. 0 C2H3NO InChI=1S/C2H3NO/c1-3-2-4/h1H3 HAMGRBXTJNITHG-UHFFFAOYSA-N 57.05130 57.02146 CN=C=O CAS:624-83-9 DrugBank:DB04337 Gmelin:100500 PMID:16091349 PMID:19494520 PMID:24081639 PMID:3622432 PMID:6821040 Reaxys:605318 isocyanatomethane methyl isocyanate chebi_ontology Iso-cyanatomethane Isocyanate de methyle MIC Methyl carbonimide Methyl isocyanide Methylcarbylamine isocyanatomethane CHEBI:59059 methyl isocyanate CAS:624-83-9 ChemIDplus CAS:624-83-9 NIST Chemistry WebBook Gmelin:100500 Gmelin PMID:16091349 Europe PMC PMID:19494520 Europe PMC PMID:24081639 Europe PMC PMID:3622432 Europe PMC PMID:6821040 Europe PMC Reaxys:605318 Reaxys isocyanatomethane IUPAC methyl isocyanate UniProt Iso-cyanatomethane ChemIDplus Isocyanate de methyle ChemIDplus MIC NIST_Chemistry_WebBook Methyl carbonimide ChemIDplus Methyl isocyanide ChemIDplus Methylcarbylamine ChemIDplus isocyanatomethane ChEBI Cinchonan or its (8S)-epimer. 0 C19H22N2 InChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15-,17?/m0/s1 UFJOYVQIDSNLHC-GIIGEWEBSA-N 278.39140 278.17830 C=C[C@H]1C[N@@]2CC[C@H]1CC2Cc1ccnc2ccccc12 (8xi)-cinchonan chebi_ontology CHEBI:59137 (8xi)-cinchonan (8xi)-cinchonan IUPAC The (8S)-epimer of cinchonan. 0 C19H22N2 InChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15-,17-/m0/s1 UFJOYVQIDSNLHC-ZOBUZTSGSA-N 278.39140 278.17830 [H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)Cc1ccnc2ccccc12 Beilstein:88419 (8S)-cinchonan (8alpha)-cinchonan chebi_ontology 4-((1S,2S,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-ylmethyl)quinoline CHEBI:59138 (8S)-cinchonan Beilstein:88419 Beilstein (8S)-cinchonan ChEBI (8alpha)-cinchonan IUPAC 4-((1S,2S,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-ylmethyl)quinoline ChEBI A substance used as an indicator of a biological state. chebi_ontology biological marker CHEBI:59163 biomarker biological marker ChEBI Any fatty acid whose skeletal carbon atoms form an unbranched open chain. chebi_ontology straight-chain fatty acids CHEBI:59202 straight-chain fatty acid straight-chain fatty acids ChEBI A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid. chebi_ontology straight-chain FA anion straight-chain FA anions straight-chain fatty acid anions CHEBI:59203 straight-chain fatty acid anion straight-chain FA anion ChEBI straight-chain FA anions ChEBI straight-chain fatty acid anions ChEBI Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the activity of a serine endopeptidase (EC 3.4.21.*). chebi_ontology EC 3.4.21.* (serine endopeptidase) inhibitors EC 3.4.21.* inhibitor EC 3.4.21.* inhibitors inhibitor of serine endopeptidase (EC 3.4.21.*) inhibitor of serine endopeptidase (EC 3.4.21.*)s serine endopeptidase inhibitor serine endopeptidase inhibitors CHEBI:5924 EC 3.4.21.* (serine endopeptidase) inhibitor EC 3.4.21.* (serine endopeptidase) inhibitors ChEBI EC 3.4.21.* inhibitor ChEBI EC 3.4.21.* inhibitors ChEBI inhibitor of serine endopeptidase (EC 3.4.21.*) ChEBI inhibitor of serine endopeptidase (EC 3.4.21.*)s ChEBI serine endopeptidase inhibitor ChEBI serine endopeptidase inhibitors ChEBI Any substance that inhibits the synthesis of DNA. chebi_ontology DNA synthesis inhibitors CHEBI:59517 DNA synthesis inhibitor DNA synthesis inhibitors ChEBI Any fatty acid with a chain length of between C6 and C12. 0 CHO2R 45.01740 44.99765 OC([*])=O chebi_ontology MCFA MCFAs medium-chain fatty acids CHEBI:59554 medium-chain fatty acid MCFA ChEBI MCFAs ChEBI medium-chain fatty acids ChEBI A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid. -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology MCFA anion MCFA anions a medium-chain fatty acid medium-chain FA anion medium-chain FA anions medium-chain fatty acid anions CHEBI:59558 medium-chain fatty acid anion MCFA anion ChEBI MCFA anions ChEBI a medium-chain fatty acid UniProt medium-chain FA anion ChEBI medium-chain FA anions ChEBI medium-chain fatty acid anions ChEBI An organic anion that is the conjugate base of diamino acid. chebi_ontology diamino acid anions CHEBI:59561 diamino acid anion diamino acid anions ChEBI A drug, usually applied topically, that relieves pruritus (itching). chebi_ontology anti-itching drug anti-itching drugs antipruritic agent antipruritic agents antipruritic drugs CHEBI:59683 antipruritic drug anti-itching drug ChEBI anti-itching drugs ChEBI antipruritic agent ChEBI antipruritic agents ChEBI antipruritic drugs ChEBI Compounds containing one or more phosphoric acid units. chebi_ontology CHEBI:59698 phosphoric acids An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a nucleoside triphosphate. chebi_ontology ribonucleoside triphosphate anion ribonucleoside triphosphate anions ribonucleoside triphosphate oxoanions CHEBI:59724 ribonucleoside triphosphate oxoanion ribonucleoside triphosphate anion ChEBI ribonucleoside triphosphate anions ChEBI ribonucleoside triphosphate oxoanions ChEBI A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons. chebi_ontology nucleophile nucleophiles nucleophilic reagents CHEBI:59740 nucleophilic reagent nucleophile ChEBI nucleophiles ChEBI nucleophilic reagents ChEBI An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ. chebi_ontology acetals CHEBI:59769 acetal acetals ChEBI An acetal of formula R2C(OR)2 (R =/= H) derived from a ketone by replacement of the oxo group by two hydrocarbyloxy groups. The class name 'ketals', once abandoned by IUPAC, has been reinstated as a subclass of acetals. chebi_ontology ketals CHEBI:59777 ketal ketals ChEBI A ketal in the molecule of which the ketal carbon and one or both oxygen atoms thereon are members of a ring. chebi_ontology cyclic ketals CHEBI:59779 cyclic ketal cyclic ketals ChEBI The conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. +1 C10H15N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-O 163.23900 163.12297 C[NH+]1CCC[C@H]1c1cccnc1 Gmelin:329042 MetaCyc:NICOTINE (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium chebi_ontology (S)-nicotine (S)-nicotinium cation CHEBI:59806 (S)-nicotinium(1+) Gmelin:329042 Gmelin (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium IUPAC (S)-nicotine UniProt (S)-nicotinium cation ChEBI Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group. -1 C2H3NO2R 73.051 73.01638 [C@H](C(=O)[O-])(N)* chebi_ontology L-alpha-amino carboxylate CHEBI:59814 L-alpha-amino acid anion L-alpha-amino carboxylate ChEBI Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group. 0 C2H4NO2R 74.059 74.02420 [NH3+][C@@H]([*])C([O-])=O chebi_ontology L-alpha-amino acid zwitterions an L-alpha-amino acid CHEBI:59869 L-alpha-amino acid zwitterion L-alpha-amino acid zwitterions ChEBI an L-alpha-amino acid UniProt Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group. 0 C2H4NO2R 74.059 74.02420 [NH3+][C@H]([*])C([O-])=O chebi_ontology D-alpha-amino acid zwitterions a D-alpha-amino acid CHEBI:59871 D-alpha-amino acid zwitterion D-alpha-amino acid zwitterions ChEBI a D-alpha-amino acid UniProt Zwitterionic form of gamma-aminobutyric acid having an anionic carboxy group and a protonated amino group. 0 C4H9NO2 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N 103.11980 103.06333 [NH3+]CCCC([O-])=O Gmelin:1041559 4-azaniumylbutanoate chebi_ontology 4-aminobutanoate 4-ammoniobutanoate CHEBI:59888 gamma-aminobutyric acid zwitterion Gmelin:1041559 Gmelin 4-azaniumylbutanoate IUPAC 4-aminobutanoate UniProt 4-ammoniobutanoate ChEBI An ammonium ion that is the conjugate acid of dopamine; major species at pH 7.3. +1 C8H12NO2 InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1 VYFYYTLLBUKUHU-UHFFFAOYSA-O 154.18640 154.08626 [NH3+]CCc1ccc(O)c(O)c1 Gmelin:328863 2-(3,4-dihydroxyphenyl)ethanaminium chebi_ontology 2-(3,4-dihydroxyphenyl)ethan-1-aminium dopamine dopaminium cation CHEBI:59905 dopaminium(1+) Gmelin:328863 Gmelin 2-(3,4-dihydroxyphenyl)ethanaminium IUPAC 2-(3,4-dihydroxyphenyl)ethan-1-aminium ChEBI dopamine UniProt dopaminium cation ChEBI A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types. chebi_ontology Chemische Substanz CHEBI:59999 chemical substance Chemische Substanz ChEBI A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind. chebi_ontology Mischung CHEBI:60004 mixture Mischung ChEBI 0 C3H2ClF5O InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H PIWKPBJCKXDKJR-UHFFFAOYSA-N 184.49210 183.97143 FC(F)OC(Cl)C(F)(F)F CAS:26675-46-7 DrugBank:DB00753 Drug_Central:1493 KEGG:C07518 KEGG:D00545 VSDB:1804 Wikipedia:Isoflurane 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane Isoflurane chebi_ontology 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether Aerrane Ethane Forane Forene isoflurane isoflurano isofluranum CHEBI:6015 isoflurane CAS:26675-46-7 ChemIDplus CAS:26675-46-7 KEGG COMPOUND CAS:26675-46-7 NIST Chemistry WebBook Drug_Central:1493 DrugCentral 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane IUPAC Isoflurane KEGG_COMPOUND 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether NIST_Chemistry_WebBook Aerrane DrugBank Ethane DrugBank Forane DrugBank Forene DrugBank isoflurane ChemIDplus isoflurano ChemIDplus isofluranum ChemIDplus A metal cation with a valence of two. chebi_ontology a divalent metal cation CHEBI:60240 divalent metal cation a divalent metal cation UniProt An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one. chebi_ontology a monovalent cation CHEBI:60242 monovalent inorganic cation a monovalent cation UniProt A hydrolase inhibitor that interferes with the action of any hydrolase acting on peptide bonds (peptidase), EC 3.4.*.*). CHEBI:76763 chebi_ontology EC 3.4.* (hydrolase acting on peptide bond) inhibitor EC 3.4.* (hydrolase acting on peptide bonds) inhibitors EC 3.4.* (hydrolases acting on peptide bond) inhibitors EC 3.4.* (peptidase) inhibitor EC 3.4.* (peptidase) inhibitors EC 3.4.* inhibitor EC 3.4.* inhibitors inhibitor of hydrolases acting on peptide bond (EC 3.4.*) inhibitors of hydrolases acting on peptide bond (EC 3.4.*) peptidase inhibitors protease inhibitor protease inhibitors CHEBI:60258 EC 3.4.* (hydrolases acting on peptide bond) inhibitor EC 3.4.* (hydrolase acting on peptide bond) inhibitor ChEBI EC 3.4.* (hydrolase acting on peptide bonds) inhibitors ChEBI EC 3.4.* (hydrolases acting on peptide bond) inhibitors ChEBI EC 3.4.* (peptidase) inhibitor ChEBI EC 3.4.* (peptidase) inhibitors ChEBI EC 3.4.* inhibitor ChEBI EC 3.4.* inhibitors ChEBI inhibitor of hydrolases acting on peptide bond (EC 3.4.*) ChEBI inhibitors of hydrolases acting on peptide bond (EC 3.4.*) ChEBI peptidase inhibitors ChEBI protease inhibitor ChEBI protease inhibitors ChEBI The oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb. 0 C5H11NOS InChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3 ZFGMCJAXIZTVJA-UHFFFAOYSA-N 133.21200 133.05614 [H]C(=NO)C(C)(C)SC CAS:1646-75-9 Patent:US3217037 Reaxys:2038299 2-methyl-2-(methylsulfanyl)propanal oxime N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine chebi_ontology 2-(methylthio)-2-methylpropionaldehyde oxime 2-(methylthio)isobutyraldehyde oxime 2-methyl-2-(methylsulfanyl)propanaldoxime 2-methyl-2-(methylthio)propanal oxime 2-methyl-2-(methylthio)propionaldehyde oxime 2-methyl-2-(methylthio)propionaldoxime ADO Temik oxime aldicarb oxime CHEBI:60330 2-methyl-2-(methylsulfanyl)propanal oxime CAS:1646-75-9 ChemIDplus Reaxys:2038299 Reaxys 2-methyl-2-(methylsulfanyl)propanal oxime UniProt N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine IUPAC 2-(methylthio)-2-methylpropionaldehyde oxime ChemIDplus 2-(methylthio)isobutyraldehyde oxime ChemIDplus 2-methyl-2-(methylsulfanyl)propanaldoxime ChEBI 2-methyl-2-(methylthio)propanal oxime ChemIDplus 2-methyl-2-(methylthio)propionaldehyde oxime ChemIDplus 2-methyl-2-(methylthio)propionaldoxime ChemIDplus ADO ChEBI Temik oxime ChemIDplus aldicarb oxime ChemIDplus An anion formed by deprotonation of at least one peptide carboxy group. chebi_ontology peptide anions CHEBI:60334 peptide anion peptide anions ChEBI Zwitterionic form of any peptide where, in general, the amino terminus is positively charged and the carboxy terminus is negatively charged. 0 C2H4NO2R(C2H2NOR)n chebi_ontology a peptide peptide zwitterions CHEBI:60466 peptide zwitterion a peptide UniProt peptide zwitterions ChEBI Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs. CHEBI:60797 chebi_ontology N-methyl-D-aspartate receptor antagonist N-methyl-D-aspartate receptor antagonists NMDA receptor antagonists NMDAR antagonist NMDAR antagonists CHEBI:60643 NMDA receptor antagonist N-methyl-D-aspartate receptor antagonist ChEBI N-methyl-D-aspartate receptor antagonists ChEBI NMDA receptor antagonists ChEBI NMDAR antagonist ChEBI NMDAR antagonists ChEBI A mixture consisting of >= 90% 22,23-dihydroavermectin B1a (R = Me) and <= 10% 22,23-dihydroavermectin B1b (R = H). A semi-synthetic derivative of abamectin, it is used as a broad-spectrum antiparasite medication, particularly against worms (except tapeworms), although it is also effective against most mites and some lice. 0 C47H71O14R C48H74O14.C47H72O14 860.060 859.48438 [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(CC[C@H](C)[C@]([H])(O1)[C@@H](C)C[*])O2)[C@]34O CAS:70288-86-7 Chemspider:7988461 DrugBank:DB00602 KEGG:D00804 PMID:15078277 PMID:18718154 PMID:21824728 PMID:21831526 PMID:22039784 PMID:22039801 PMID:22047763 Patent:US4199569 Pesticides:ivermectin VSDB:1455 Wikipedia:Ivermectin chebi_ontology Ivermax Ivomec Mectizan Noromectin Privermectin Sklice Stromectol Vetrimec Zimecterin ivermectin ivermectine ivermectino ivermectinum CHEBI:6078 ivermectin CAS:70288-86-7 ChemIDplus CAS:70288-86-7 KEGG COMPOUND PMID:15078277 Europe PMC PMID:18718154 Europe PMC PMID:21824728 Europe PMC PMID:21831526 Europe PMC PMID:22039784 Europe PMC PMID:22039801 Europe PMC PMID:22047763 Europe PMC Pesticides:ivermectin Alan Wood's Pesticides Ivermax ChEBI Ivomec ChemIDplus Mectizan DrugBank Noromectin ChEBI Privermectin ChEBI Sklice ChEBI Stromectol DrugBank Vetrimec ChEBI Zimecterin ChEBI ivermectin ChemIDplus ivermectine ChemIDplus ivermectino ChemIDplus ivermectinum ChemIDplus Any substance which inhibits the action of receptors for excitatory amino acids. chebi_ontology EAA receptor antagonist EAA receptor antagonists excitatory amino acid antagonists excitatory amino acid receptor antagonist excitatory amino acid receptor antagonists CHEBI:60798 excitatory amino acid antagonist EAA receptor antagonist ChEBI EAA receptor antagonists ChEBI excitatory amino acid antagonists ChEBI excitatory amino acid receptor antagonist ChEBI excitatory amino acid receptor antagonists ChEBI Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself. chebi_ontology adjuvants CHEBI:60809 adjuvant adjuvants ChEBI Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules. chebi_ontology tubulin modulators CHEBI:60832 tubulin modulator tubulin modulators ChEBI Any alpha-amino acid anion in which the parent amino acid has D-configuration. -1 C2H3NO2R 73.051 73.01638 [C@@H](C(=O)[O-])(N)* chebi_ontology D-alpha-amino acid anions D-alpha-amino carboxylate CHEBI:60895 D-alpha-amino acid anion D-alpha-amino acid anions ChEBI D-alpha-amino carboxylate ChEBI A racemate is an equimolar mixture of a pair of enantiomers. chebi_ontology melange racemique racemates racemic mixture CHEBI:60911 racemate melange racemique ChEBI racemates ChEBI racemic mixture ChEBI An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). Wikipedia:Histone_deacetylase_inhibitor chebi_ontology EC 3.5.1.98 (histone deacetylase) inhibitors EC 3.5.1.98 inhibitor EC 3.5.1.98 inhibitors HDAC inhibitor HDAC inhibitors HDACi HDACis HDI HDIs histone amidohydrolase inhibitor histone amidohydrolase inhibitors histone deacetylase (EC 3.5.1.98) inhibitor histone deacetylase (EC 3.5.1.98) inhibitors histone deacetylase inhibitor histone deacetylase inhibitors CHEBI:61115 EC 3.5.1.98 (histone deacetylase) inhibitor EC 3.5.1.98 (histone deacetylase) inhibitors ChEBI EC 3.5.1.98 inhibitor ChEBI EC 3.5.1.98 inhibitors ChEBI HDAC inhibitor ChEBI HDAC inhibitors ChEBI HDACi ChEBI HDACis ChEBI HDI ChEBI HDIs ChEBI histone amidohydrolase inhibitor ChEBI histone amidohydrolase inhibitors ChEBI histone deacetylase (EC 3.5.1.98) inhibitor ChEBI histone deacetylase (EC 3.5.1.98) inhibitors ChEBI histone deacetylase inhibitor ChEBI histone deacetylase inhibitors ChEBI Any compound that has a nucleobase as a part. chebi_ontology nucleobase-containing compound nucleobase-containing compounds nucleobase-containing molecular entities CHEBI:61120 nucleobase-containing molecular entity nucleobase-containing compound SUBMITTER nucleobase-containing compounds ChEBI nucleobase-containing molecular entities ChEBI A nucleotide having adenine as the base. chebi_ontology adenine nucleotide CHEBI:61293 adenyl nucleotide adenine nucleotide SUBMITTER A purine riboncleotide where adenine is the purine. chebi_ontology adenine ribonucleotide CHEBI:61296 adenyl ribonucleotide adenine ribonucleotide SUBMITTER A ribonucleoside triphosphate oxoanion arising from global deprotonation of the triphosphate groups of any nucleoside triphosphate; major species at pH 7.3. -4 C5H8O13P3R 369.031 368.91778 [C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)([O-])[O-])(=O)[O-])(=O)[O-] chebi_ontology NTP tetraanion NTP(4-) a ribonucleoside 5'-triphosphate nucleoside 5'-triphosphate tetraanion nucleoside triphosphate(4-) CHEBI:61557 nucleoside 5'-triphoshate(4-) NTP tetraanion ChEBI NTP(4-) SUBMITTER a ribonucleoside 5'-triphosphate UniProt nucleoside 5'-triphosphate tetraanion ChEBI nucleoside triphosphate(4-) ChEBI An organic heterotricyclic compound with a skeleton derived from a pyridine ring fused to an isoquinoline. chebi_ontology pyridoisoquinolines CHEBI:61692 pyridoisoquinoline pyridoisoquinolines ChEBI Any organic molecular entity derived from a fatty acid. chebi_ontology FA derivative FA derivatives fatty acid derivatives CHEBI:61697 fatty acid derivative FA derivative ChEBI FA derivatives ChEBI fatty acid derivatives ChEBI Any substance that interacts with tubulin to inhibit polymerisation of microtubules. PMID:17099073 chebi_ontology microtubule destabilising agent microtubule destabilising agents microtubule destabilising role microtubule destabilizing role microtubule-destabilising agents microtubule-destabilizing agent microtubule-destabilizing agents CHEBI:61951 microtubule-destabilising agent PMID:17099073 Europe PMC microtubule destabilising agent ChEBI microtubule destabilising agents ChEBI microtubule destabilising role ChEBI microtubule destabilizing role SUBMITTER microtubule-destabilising agents ChEBI microtubule-destabilizing agent ChEBI microtubule-destabilizing agents ChEBI Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group. 0 C2H4NO2R 74.059 74.02420 C(C([O-])=O)(*)[NH3+] MetaCyc:Polar-amino-acids chebi_ontology a polar amino acid CHEBI:62031 polar amino acid zwitterion MetaCyc:Polar-amino-acids SUBMITTER a polar amino acid UniProt An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens. -1 CH2O3SR 94.09000 93.97246 [H]C([H])([*])S([O-])(=O)=O KEGG:C15521 MetaCyc:Alkanesulfonates chebi_ontology 1,1-di-unsubstituted alkanesulfonate 1,1-di-unsubstituted alkanesulfonates 1,1-diunsubstituted alkanesulfonates CHEBI:62081 1,1-diunsubstituted alkanesulfonate 1,1-di-unsubstituted alkanesulfonate ChEBI 1,1-di-unsubstituted alkanesulfonates ChEBI 1,1-diunsubstituted alkanesulfonates ChEBI A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell. chebi_ontology signal molecule signal molecules signaling molecule signaling molecules signalling molecules CHEBI:62488 signalling molecule signal molecule ChEBI signal molecules ChEBI signaling molecule ChEBI signaling molecules ChEBI signalling molecules ChEBI Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-). chebi_ontology anionic phospholipids phospholipid anion phospholipid anions CHEBI:62643 anionic phospholipid anionic phospholipids ChEBI phospholipid anion ChEBI phospholipid anions ChEBI The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability. chebi_ontology emulgent emulgents emulsifiers CHEBI:63046 emulsifier emulgent ChEBI emulgents ChEBI emulsifiers ChEBI A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity. chebi_ontology glycosyl compounds CHEBI:63161 glycosyl compound glycosyl compounds ChEBI A substance that removes electrons from another reactant in a redox reaction. chebi_ontology oxidant oxidants oxidiser oxidisers oxidising agents oxidizer oxidizers oxidizing agent oxidizing agents CHEBI:63248 oxidising agent oxidant ChEBI oxidants ChEBI oxidiser ChEBI oxidisers ChEBI oxidising agents ChEBI oxidizer ChEBI oxidizers ChEBI oxidizing agent ChEBI oxidizing agents ChEBI Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds. chebi_ontology carbohydrate derivatives derivatised carbohydrate derivatised carbohydrates derivatized carbohydrate derivatized carbohydrates CHEBI:63299 carbohydrate derivative carbohydrate derivatives ChEBI derivatised carbohydrate ChEBI derivatised carbohydrates ChEBI derivatized carbohydrate ChEBI derivatized carbohydrates ChEBI An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of alkaline phosphatase (EC 3.1.3.1). Wikipedia:Alkaline_phosphatase chebi_ontology EC 3.1.3.1 (alkaline phosphatase) inhibitors EC 3.1.3.1 inhibitor EC 3.1.3.1 inhibitors alkaline phenyl phosphatase inhibitor alkaline phenyl phosphatase inhibitors alkaline phosphatase (EC 3.1.3.1) inhibitor alkaline phosphatase (EC 3.1.3.1) inhibitors alkaline phosphatase inhibitor alkaline phosphatase inhibitors alkaline phosphohydrolase inhibitor alkaline phosphohydrolase inhibitors alkaline phosphomonoesterase inhibitor alkaline phosphomonoesterase inhibitors glycerophosphatase inhibitor glycerophosphatase inhibitors orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors phosphomonoesterase inhibitor phosphomonoesterase inhibitors CHEBI:63332 EC 3.1.3.1 (alkaline phosphatase) inhibitor EC 3.1.3.1 (alkaline phosphatase) inhibitors ChEBI EC 3.1.3.1 inhibitor ChEBI EC 3.1.3.1 inhibitors ChEBI alkaline phenyl phosphatase inhibitor ChEBI alkaline phenyl phosphatase inhibitors ChEBI alkaline phosphatase (EC 3.1.3.1) inhibitor ChEBI alkaline phosphatase (EC 3.1.3.1) inhibitors ChEBI alkaline phosphatase inhibitor ChEBI alkaline phosphatase inhibitors ChEBI alkaline phosphohydrolase inhibitor ChEBI alkaline phosphohydrolase inhibitors ChEBI alkaline phosphomonoesterase inhibitor ChEBI alkaline phosphomonoesterase inhibitors ChEBI glycerophosphatase inhibitor ChEBI glycerophosphatase inhibitors ChEBI orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor ChEBI orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors ChEBI phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor ChEBI phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors ChEBI phosphomonoesterase inhibitor ChEBI phosphomonoesterase inhibitors ChEBI A carbohydrate derivative that is formally obtained from a monosaccharide. chebi_ontology monosaccharide derivatives CHEBI:63367 monosaccharide derivative monosaccharide derivatives ChEBI A monosaccharide derivative that is formally obtained from a pentose. chebi_ontology pentose derivatives CHEBI:63409 pentose derivative pentose derivatives ChEBI A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated). chebi_ontology sulfur-containing amino-acid anions CHEBI:63470 sulfur-containing amino-acid anion sulfur-containing amino-acid anions ChEBI A substance capable of undergoing rapid and highly exothermic decomposition. Wikipedia:Explosive_material chebi_ontology explosive compound explosive compounds explosive material explosives explosives chemical explosives chemicals CHEBI:63490 explosive explosive compound ChEBI explosive compounds ChEBI explosive material ChEBI explosives ChEBI explosives chemical ChEBI explosives chemicals ChEBI An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Na(+)/K(+)-transporting ATPase (EC 3.6.3.9). Wikipedia:Sodium-potassium_ATPase chebi_ontology EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitors EC 3.6.3.9 inhibitor EC 3.6.3.9 inhibitors Na(+)/K(+)-ATPase inhibitor Na(+)/K(+)-ATPase inhibitors Na(+)/K(+)-pump inhibitor Na(+)/K(+)-pump inhibitors Na(+)/K(+)-transporting ATPase (EC 3.6.3.9) inhibitor Na(+)/K(+)-transporting ATPase (EC 3.6.3.9) inhibitors Na(+)/K(+)-transporting ATPase inhibitor Na(+)/K(+)-transporting ATPase inhibitors sodium pump inhibitor sodium pump inhibitors sodium-potassium adenosine triphosphatase inhibitor sodium-potassium adenosine triphosphatase inhibitors sodium-potassium pump inhibitor sodium-potassium pump inhibitors CHEBI:63510 EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitors ChEBI EC 3.6.3.9 inhibitor ChEBI EC 3.6.3.9 inhibitors ChEBI Na(+)/K(+)-ATPase inhibitor ChEBI Na(+)/K(+)-ATPase inhibitors ChEBI Na(+)/K(+)-pump inhibitor ChEBI Na(+)/K(+)-pump inhibitors ChEBI Na(+)/K(+)-transporting ATPase (EC 3.6.3.9) inhibitor ChEBI Na(+)/K(+)-transporting ATPase (EC 3.6.3.9) inhibitors ChEBI Na(+)/K(+)-transporting ATPase inhibitor ChEBI Na(+)/K(+)-transporting ATPase inhibitors ChEBI sodium pump inhibitor ChEBI sodium pump inhibitors ChEBI sodium-potassium adenosine triphosphatase inhibitor ChEBI sodium-potassium adenosine triphosphatase inhibitors ChEBI sodium-potassium pump inhibitor ChEBI sodium-potassium pump inhibitors ChEBI An aralylamino compound which contains one amino group connected to an aromatic ring by a two-carbon chain. Monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes. PMID:21822758 PMID:21993877 PMID:22005599 PMID:22082101 PMID:22153577 PMID:22213370 PMID:22218931 PMID:22342987 PMID:22371656 chebi_ontology monoamines naturally occurring monoamine naturally occurring monoamines CHEBI:63534 monoamine PMID:21822758 Europe PMC PMID:21993877 Europe PMC PMID:22005599 Europe PMC PMID:22082101 Europe PMC PMID:22153577 Europe PMC PMID:22213370 Europe PMC PMID:22218931 Europe PMC PMID:22342987 Europe PMC PMID:22371656 Europe PMC monoamines ChEBI naturally occurring monoamine ChEBI naturally occurring monoamines ChEBI Any compound that can be used for the treatment of neurodegenerative disorders. chebi_ontology neuroprotectant neuroprotectants neuroprotective agents CHEBI:63726 neuroprotective agent neuroprotectant ChEBI neuroprotectants ChEBI neuroprotective agents ChEBI A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin. 0 C48H74O14 InChI=1S/C48H74O14/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/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/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 AZSNMRSAGSSBNP-XPNPUAGNSA-N 875.09280 874.50786 [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(CC[C@H](C)[C@]([H])(O1)[C@@H](C)CC)O2)[C@]34O CAS:71827-03-7 PDBeChem:IVM PMID:2411323 PMID:6125361 PMID:6148214 PMID:6547280 Reaxys:4643153 VSDB:1455 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-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 chebi_ontology 5-O-demethyl-22,23-dihydroavermectin A1a H2B1a avermectin H2B1a dihydroavermectin B1a ivermectin B1a CHEBI:63941 22,23-dihydroavermectin B1a CAS:71827-03-7 ChemIDplus PMID:2411323 Europe PMC PMID:6125361 Europe PMC PMID:6148214 Europe PMC PMID:6547280 Europe PMC Reaxys:4643153 Reaxys (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-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 5-O-demethyl-22,23-dihydroavermectin A1a ChEBI H2B1a ChEBI avermectin H2B1a ChemIDplus dihydroavermectin B1a ChemIDplus ivermectin B1a ChemIDplus A macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin. 0 C47H72O14 InChI=1S/C47H72O14/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/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/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 VARHUCVRRNANBD-PVVXTEPVSA-N 861.06620 860.49221 [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(CC[C@H](C)[C@]([H])(O1)C(C)C)O2)[C@]34O CAS:70209-81-3 PMID:6125361 PMID:6148214 PMID:6895285 PMID:6896121 Reaxys:8183665 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-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 chebi_ontology H2B1b avermectin H2B1b dihydroavermectin B1b ivermectin B1b ivermectin component b1b CHEBI:63943 22,23-dihydroavermectin B1b CAS:70209-81-3 ChemIDplus PMID:6125361 Europe PMC PMID:6148214 Europe PMC PMID:6895285 Europe PMC PMID:6896121 Europe PMC Reaxys:8183665 Reaxys (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-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 H2B1b ChEBI avermectin H2B1b ChEBI dihydroavermectin B1b ChEBI ivermectin B1b ChEBI ivermectin component b1b ChEBI Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule. CHEBI:50333 chebi_ontology macrocyclic lactones CHEBI:63944 macrocyclic lactone macrocyclic lactones ChEBI An agonist that selectively binds to and activates a protein kinase C receptor chebi_ontology protein kinase C agonists CHEBI:64018 protein kinase C agonist protein kinase C agonists ChEBI Any substance which is added to food to preserve or enhance its flavour and/or appearance. Wikipedia:Food_additive chebi_ontology food additives CHEBI:64047 food additive food additives ChEBI A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents. Wikipedia:Acidity_regulator chebi_ontology acidity regulator acidity regulators food acidity regulators pH control agent pH control agents CHEBI:64049 food acidity regulator acidity regulator ChEBI acidity regulators ChEBI food acidity regulators ChEBI pH control agent ChEBI pH control agents ChEBI An agonist that selectively binds to and activates a protein kinase receptor. chebi_ontology protein kinase agonists CHEBI:64106 protein kinase agonist protein kinase agonists ChEBI A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively). 0 C20H24N2S2 InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 RLJFTICUTYVZDG-UHFFFAOYSA-N 356.54800 356.13809 CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 CAS:20229-30-5 HMDB:HMDB0254534 LINCS:LSM-4320 PMID:18033297 PMID:18996971 PMID:19837141 PMID:19995401 PMID:20171242 PMID:20233210 PMID:20331882 PMID:20547148 PMID:21062995 PMID:21403818 PMID:21514998 PMID:21964383 Patent:NL6608618 Patent:US3379729 Patent:US4444778 Patent:US6331536 Reaxys:626221 Wikipedia:Metitepine 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine chebi_ontology (+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine (+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin (+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine Methiothepine metitepina metitepine metitepinum CHEBI:64203 methiothepin CAS:20229-30-5 ChemIDplus PMID:18033297 Europe PMC PMID:18996971 Europe PMC PMID:19837141 Europe PMC PMID:19995401 Europe PMC PMID:20171242 Europe PMC PMID:20233210 Europe PMC PMID:20331882 Europe PMC PMID:20547148 Europe PMC PMID:21062995 Europe PMC PMID:21403818 Europe PMC PMID:21514998 Europe PMC PMID:21964383 Europe PMC Reaxys:626221 Reaxys 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine IUPAC (+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine ChemIDplus (+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin ChemIDplus (+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin ChemIDplus 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine ChemIDplus 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine ChEBI Methiothepine ChemIDplus metitepina ChemIDplus metitepine ChemIDplus metitepinum ChemIDplus A doubly-charged organic cation arising from protonation of the two tertiary amino functions of methiothepin. +2 C20H26N2S2 InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/p+2 RLJFTICUTYVZDG-UHFFFAOYSA-P 358.56400 358.15264 CSc1ccc2Sc3ccccc3CC([NH+]3CC[NH+](C)CC3)c2c1 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium chebi_ontology methiothepin cation CHEBI:64204 methiothepin(2+) 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium IUPAC methiothepin cation ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 11-methyldodec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C36H58N4O16 InChI=1S/C36H58N4O16/c1-17(2)11-9-7-5-4-6-8-10-12-22(44)38-25-29(49)26(46)20(53-35(25)56-34-24(37-18(3)42)28(48)27(47)21(16-41)54-34)15-19(43)32-30(50)31(51)33(55-32)40-14-13-23(45)39-36(40)52/h10,12-14,17,19-21,24-35,41,43,46-51H,4-9,11,15-16H2,1-3H3,(H,37,42)(H,38,44)(H,39,45,52)/b12-10+/t19-,20-,21-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34-,35+/m1/s1 FIIRBPHYBLFBSD-MZPZZZQLSA-N 802.86290 802.38478 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-11-methyldodec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(11-methyldodec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin I CHEBI:64228 tunicamycin A0 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-11-methyldodec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(11-methyldodec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin I ChEBI An EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor that interferes with the action of any UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15), preventing formation of N-acetylglucosamine lipid intermediates and glycosylation of newly synthesised glycoproteins. chebi_ontology EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitors EC 2.7.8.15 inhibitor EC 2.7.8.15 inhibitors GlcNAc-1-P transferase inhibitor GlcNAc-1-P transferase inhibitors N-acetylglucosamine phosphotransferase inhibitor N-acetylglucosamine transferase inhibitors N-acetylglucosamine-1-phosphate transferase inhibitor N-acetylglucosamine-1-phosphate transferase inhibitors UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitor UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitors UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitor UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitors UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitor UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitors UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitor UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitors UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitor UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitors UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitor UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitors UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitor UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitors UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitor UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitors chitobiosylpyrophosphoryldolichol synthase inhibitor chitobiosylpyrophosphoryldolichol synthase inhibitors dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitor dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitors uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitor uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitors CHEBI:64237 EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitors ChEBI EC 2.7.8.15 inhibitor ChEBI EC 2.7.8.15 inhibitors ChEBI GlcNAc-1-P transferase inhibitor ChEBI GlcNAc-1-P transferase inhibitors ChEBI N-acetylglucosamine phosphotransferase inhibitor ChEBI N-acetylglucosamine transferase inhibitors ChEBI N-acetylglucosamine-1-phosphate transferase inhibitor ChEBI N-acetylglucosamine-1-phosphate transferase inhibitors ChEBI UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitor ChEBI UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitors ChEBI UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitor ChEBI UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitors ChEBI UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitor ChEBI UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitors ChEBI UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitor ChEBI UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitors ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitor ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitors ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitor ChEBI UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitors ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitor ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitors ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitor ChEBI UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitors ChEBI chitobiosylpyrophosphoryldolichol synthase inhibitor ChEBI chitobiosylpyrophosphoryldolichol synthase inhibitors ChEBI dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitor ChEBI dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitors ChEBI uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitor ChEBI uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitors ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 12-methyltridec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C37H60N4O16 InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1 YJQCOFNZVFGCAF-LLXUUZRASA-N 816.88950 816.40043 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 Reaxys:8183793 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(12-methyltridec-2-enamido)-beta-D-galactopyranos-6-yl]uridine tunicamycin A1 chebi_ontology tunicamycin C tunicamycin II CHEBI:64245 tunicamycin A1 PMID:7061468 Europe PMC Reaxys:8183793 Reaxys (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(12-methyltridec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin A1 UniProt tunicamycin C ChEBI tunicamycin II ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a tetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C37H60N4O16 InChI=1S/C37H60N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(2)43)29(49)28(48)22(18-42)55-35)17-20(44)33-31(51)32(52)34(56-33)41-16-15-24(46)40-37(41)53/h13-16,20-22,25-36,42,44,47-52H,3-12,17-18H2,1-2H3,(H,38,43)(H,39,45)(H,40,46,53)/b14-13+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1 MMDMXWRRAOLMDC-ZNZAGFTISA-N 816.88950 816.40043 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]tetradec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(tetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin III CHEBI:64246 tunicamycin A2 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]tetradec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(tetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin III ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a pentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C38H62N4O16 InChI=1S/C38H62N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(2)44)30(50)29(49)23(19-43)56-36)18-21(45)34-32(52)33(53)35(57-34)42-17-16-25(47)41-38(42)54/h14-17,21-23,26-37,43,45,48-53H,3-13,18-19H2,1-2H3,(H,39,44)(H,40,46)(H,41,47,54)/b15-14+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 QYVMTFXNKNWWFX-YGTZKZKGSA-N 830.91610 830.41608 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]pentadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(pentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin IV CHEBI:64248 tunicamycin B1 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]pentadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(pentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin IV ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 13-methyltetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C38H62N4O16 InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 MEYZYGMYMLNUHJ-DIRMKAHISA-N 830.91610 830.41608 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 Reaxys:5711197 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin A tunicamycin V CHEBI:64250 tunicamycin B2 PMID:7061468 Europe PMC Reaxys:5711197 Reaxys (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin A ChEBI tunicamycin V ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 13-methyltetradecanoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C38H64N4O16 InChI=1S/C38H64N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h15-16,19,21-23,26-37,43,45,48-53H,4-14,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1 XAFNQFHOQPRGAK-KTVOANSYSA-N 832.93200 832.43173 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradecanamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradecanamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology tunicamycin VI CHEBI:64255 tunicamycin B3 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradecanamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradecanamido)-beta-D-galactopyranos-6-yl]uridine IUPAC tunicamycin VI ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 14-methylpentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C39H64N4O16 InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 ZOCXUHJGZXXIGQ-NPXWYGMKSA-N 844.94270 844.43173 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CAS:66081-36-5 Chemspider:27471426 MetaCyc:CPD-19373 PMID:29844049 PMID:29973921 PMID:30445836 PMID:33636028 PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-14-methylpentadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(14-methylpentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology corynetoxin U-16I tunicamycin B tunicamycin VII CHEBI:64256 tunicamycin C1 CAS:66081-36-5 ChemIDplus PMID:29844049 Europe PMC PMID:29973921 Europe PMC PMID:30445836 Europe PMC PMID:33636028 Europe PMC PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-14-methylpentadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(14-methylpentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC corynetoxin U-16I ChemIDplus tunicamycin B ChEBI tunicamycin VII ChEBI A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a hexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C39H64N4O16 InChI=1S/C39H64N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(2)45)31(51)30(50)24(20-44)57-37)19-22(46)35-33(53)34(54)36(58-35)43-18-17-26(48)42-39(43)55/h15-18,22-24,27-38,44,46,49-54H,3-14,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48,55)/b16-15+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 NKDRZEIENXWUCE-VDIUWDQWSA-N 844.94270 844.43173 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]hexadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(hexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology CHEBI:64257 tunicamycin C2 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]hexadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(hexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a heptadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C40H66N4O16 InChI=1S/C40H66N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(2)46)32(52)31(51)25(21-45)58-38)20-23(47)36-34(54)35(55)37(59-36)44-19-18-27(49)43-40(44)56/h16-19,23-25,28-39,45,47,50-55H,3-15,20-21H2,1-2H3,(H,41,46)(H,42,48)(H,43,49,56)/b17-16+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1 DYGXSHBNTGWENQ-YTXMDVFISA-N 858.96920 858.44738 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]heptadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(heptadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology CHEBI:64271 tunicamycin D1 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]heptadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(heptadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 15-methylhexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. 0 C40H66N4O16 InChI=1S/C40H66N4O16/c1-21(2)15-13-11-9-7-5-4-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1 XCEPHNBEHQJSSB-LGJGITPNSA-N 858.96920 858.44738 [H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\C=C\CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O PMID:7061468 (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-15-methylhexadec-2-enamide (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(15-methylhexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine chebi_ontology CHEBI:64272 tunicamycin D2 PMID:7061468 Europe PMC (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-15-methylhexadec-2-enamide IUPAC (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(15-methylhexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine IUPAC A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine. 0 C11H12N2S InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1 HLFSDGLLUJUHTE-SNVBAGLBSA-N 204.29100 204.07212 C1CN2C[C@@H](N=C2S1)c1ccccc1 CAS:14769-73-4 DrugBank:DB00848 Drug_Central:1561 HMDB:HMDB0014986 KEGG:C07070 KEGG:D08114 LINCS:LSM-6655 PMID:10701095 PMID:12232676 PMID:12749943 PMID:15109274 PMID:1618599 PMID:17608969 PMID:189006 PMID:2050823 PMID:22337783 PMID:22607692 PMID:23041983 PMID:23152411 PMID:23543977 PMID:23577329 PMID:23649929 PMID:23921349 PMID:24365689 PMID:24440755 PMID:365327 PMID:366135 PMID:366137 PMID:669135 PMID:6995092 PMID:6995094 PMID:7051554 PMID:827785 Patent:US3274209 Patent:US3565907 Patent:US3579530 Reaxys:4233256 VSDB:1798 Wikipedia:Levamisole (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole chebi_ontology (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole (-)-tetramisole (S)-(-)-levamisole (S)-(-)-tetramisole (S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole Ketrax Lepuron Levomysol Levovermax Totalon Wormicid levamisol levamisole levamisolum CHEBI:6432 levamisole CAS:14769-73-4 ChemIDplus CAS:14769-73-4 KEGG COMPOUND Drug_Central:1561 DrugCentral PMID:10701095 Europe PMC PMID:12232676 Europe PMC PMID:12749943 Europe PMC PMID:15109274 Europe PMC PMID:1618599 Europe PMC PMID:17608969 Europe PMC PMID:189006 Europe PMC PMID:2050823 Europe PMC PMID:22337783 Europe PMC PMID:22607692 Europe PMC PMID:23041983 Europe PMC PMID:23152411 Europe PMC PMID:23543977 Europe PMC PMID:23577329 Europe PMC PMID:23649929 Europe PMC PMID:23921349 Europe PMC PMID:24365689 Europe PMC PMID:24440755 Europe PMC PMID:365327 Europe PMC PMID:366135 Europe PMC PMID:366137 Europe PMC PMID:669135 Europe PMC PMID:6995092 Europe PMC PMID:6995094 Europe PMC PMID:7051554 Europe PMC PMID:827785 Europe PMC Reaxys:4233256 Reaxys (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole IUPAC (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole ChEBI (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole ChEBI (-)-tetramisole ChemIDplus (S)-(-)-levamisole ChemIDplus (S)-(-)-tetramisole ChEBI (S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole ChEBI Ketrax KEGG_DRUG Lepuron ChemIDplus Levomysol ChemIDplus Levovermax ChEBI Totalon ChEBI Wormicid ChemIDplus levamisol WHO_MedNet levamisole WHO_MedNet levamisolum WHO_MedNet An organic amino compound in which an aminoalkyl group is linked to an arene. chebi_ontology aralkylamino compounds CHEBI:64365 aralkylamino compound aralkylamino compounds ChEBI An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond. chebi_ontology biaryls CHEBI:64459 biaryl biaryls ChEBI A food additive which is added to flour or dough to improve baking quality and/or colour. Wikipedia:Flour_treatment_agent flour treatment agent chebi_ontology dough improver dough improvers improving agent improving agents CHEBI:64577 flour treatment agent flour treatment agent ChEBI dough improver ChEBI dough improvers ChEBI improving agent ChEBI improving agents ChEBI An inorganic cation with a valency of two. chebi_ontology CHEBI:64641 divalent inorganic cation An organic molecular entity containing a single carbon atom (C1). chebi_ontology one-carbon compounds CHEBI:64708 one-carbon compound one-carbon compounds ChEBI Any organic molecular entity that is acidic and contains carbon in covalent linkage. chebi_ontology organic acids CHEBI:64709 organic acid organic acids ChEBI A group that carries an overall positive charge. chebi_ontology cationic groups CHEBI:64766 cationic group cationic groups ChEBI A group that carries an overall negative charge. chebi_ontology anionic groups CHEBI:64767 anionic group anionic groups ChEBI A cationic group that contains carbon. chebi_ontology organic cationic groups CHEBI:64769 organic cationic group organic cationic groups ChEBI An anionic group that contains carbon. chebi_ontology organic anionic groups CHEBI:64775 organic anionic group organic anionic groups ChEBI The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it. Wikipedia:Cosmetics chebi_ontology cosmetic component cosmetics CHEBI:64857 cosmetic cosmetic component ChEBI cosmetics ChEBI An amino-acid residue carrying an overall negative charge. chebi_ontology amino acid anion residue amino acid anion residues amino-acid anion residue amino-acid anion residues anionic amino acid residue anionic amino acid residues CHEBI:64898 anionic amino-acid residue amino acid anion residue ChEBI amino acid anion residues ChEBI amino-acid anion residue ChEBI amino-acid anion residues ChEBI anionic amino acid residue ChEBI anionic amino acid residues ChEBI Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism. Wikipedia:Poison chebi_ontology poisonous agent poisonous agents poisonous substance poisonous substances poisons toxic agent toxic agents toxic substance toxic substances CHEBI:64909 poison poisonous agent ChEBI poisonous agents ChEBI poisonous substance ChEBI poisonous substances ChEBI poisons ChEBI toxic agent ChEBI toxic agents ChEBI toxic substance ChEBI toxic substances ChEBI Any compound that inhibits cell division (mitosis). Wikipedia:Mitotic_inhibitor chebi_ontology antimitotics mitosis inhibitor mitosis inhibitors mitotic inhibitor mitotic inhibitors CHEBI:64911 antimitotic antimitotics ChEBI mitosis inhibitor ChEBI mitosis inhibitors ChEBI mitotic inhibitor ChEBI mitotic inhibitors ChEBI An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. chebi_ontology antiplasmodial agent antiplasmodial agents antiplasmodial drugs antiplasmodium agent antiplasmodium agents antiplasmodium drug antiplasmodium drugs CHEBI:64915 antiplasmodial drug antiplasmodial agent ChEBI antiplasmodial agents ChEBI antiplasmodial drugs ChEBI antiplasmodium agent ChEBI antiplasmodium agents ChEBI antiplasmodium drug ChEBI antiplasmodium drugs ChEBI Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. chebi_ontology food preservatives CHEBI:65255 food preservative food preservatives ChEBI A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). chebi_ontology antimicrobial food preservatives antimicrobial preservative antimicrobial preservatives CHEBI:65256 antimicrobial food preservative antimicrobial food preservatives ChEBI antimicrobial preservative ChEBI antimicrobial preservatives ChEBI A compound that inhibits the action of gamma-aminobutyric acid. Wikipedia:GABA_antagonist chebi_ontology GABA antagonists gamma-aminobutyric acid receptor antagonist gamma-aminobutyric acid receptor antagonists CHEBI:65259 GABA antagonist GABA antagonists ChEBI gamma-aminobutyric acid receptor antagonist ChEBI gamma-aminobutyric acid receptor antagonists ChEBI An ammonium ion derivative resulting from the protonation of the nitrogen atom of a primary amino compound. Major species at pH 7.3. +1 H3NR 17.031 17.02655 [NH3+][*] chebi_ontology a primary amine substituted ammonium CHEBI:65296 primary ammonium ion a primary amine UniProt substituted ammonium ChEBI Any compound that has anti-inflammatory effects. chebi_ontology anti-inflammatory agents antiinflammatory agent antiinflammatory agents CHEBI:67079 anti-inflammatory agent anti-inflammatory agents ChEBI antiinflammatory agent ChEBI antiinflammatory agents ChEBI A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction. PMID:30679133 PMID:30684528 PMID:31840405 PMID:8597061 Wikipedia:Ryanodine_receptor chebi_ontology RyR activator RyR activators RyR agonist RyR agonists RyRs activator RyRs agonist ryanodine receptor activator ryanodine receptor activators CHEBI:67114 ryanodine receptor agonist PMID:30679133 Europe PMC PMID:30684528 Europe PMC PMID:31840405 Europe PMC PMID:8597061 Europe PMC RyR activator ChEBI RyR activators ChEBI RyR agonist ChEBI RyR agonists ChEBI RyRs activator ChEBI RyRs agonist ChEBI ryanodine receptor activator ChEBI ryanodine receptor activators ChEBI A molecule that can substitute for a normal nucleobase in nucleic acids. Wikipedia:Base_analog chebi_ontology base analog base analogs base analogue base analogues nucleobase analog nucleobase analogs nucleobase analogues CHEBI:67142 nucleobase analogue base analog ChEBI base analogs ChEBI base analogue ChEBI base analogues ChEBI nucleobase analog ChEBI nucleobase analogs ChEBI nucleobase analogues ChEBI A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime. 0 C5H10N2O2S InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8) UHXUZOCRWCRNSJ-UHFFFAOYSA-N 162.21118 162.04630 CNC(=O)ON=C(C)SC CAS:16752-77-5 HMDB:HMDB0031804 KEGG:C11196 LINCS:LSM-24991 PMID:11327381 PMID:11758270 PPDB:458 Pesticides:methomyl Reaxys:2042050 Wikipedia:Methomyl Methomyl methyl N-(methylcarbamoyloxy)ethanimidothioate chebi_ontology 1-(Methylthio)acetaldehyde O-methylcarbamoyloxime 1-(Methylthio)ethylideneamino methylcarbamate Lannate Methomyl lannate N-(((methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester S-Methyl N-(methylcarbamoyloxy)thioacetimidate CHEBI:6835 methomyl CAS:16752-77-5 ChemIDplus CAS:16752-77-5 KEGG COMPOUND CAS:16752-77-5 NIST Chemistry WebBook PMID:11327381 Europe PMC PMID:11758270 Europe PMC Pesticides:methomyl Alan Wood's Pesticides Reaxys:2042050 Reaxys Methomyl KEGG_COMPOUND methyl N-(methylcarbamoyloxy)ethanimidothioate IUPAC 1-(Methylthio)acetaldehyde O-methylcarbamoyloxime ChemIDplus 1-(Methylthio)ethylideneamino methylcarbamate ChemIDplus Lannate ChemIDplus Methomyl lannate NIST_Chemistry_WebBook N-(((methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester ChemIDplus S-Methyl N-(methylcarbamoyloxy)thioacetimidate ChemIDplus Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. Wikipedia:Azole chebi_ontology azoles CHEBI:68452 azole azoles ChEBI Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. chebi_ontology Type I cell-death inducer Type I cell-death inducers Type I programmed cell-death inducer Type I programmed cell-death inducers apoptosis inducers CHEBI:68495 apoptosis inducer Type I cell-death inducer ChEBI Type I cell-death inducers ChEBI Type I programmed cell-death inducer ChEBI Type I programmed cell-death inducers ChEBI apoptosis inducers ChEBI A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita. 0 C4H6N2O2 InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) ZJQHPWUVQPJPQT-UHFFFAOYSA-N 114.10260 114.04293 NCc1cc(=O)[nH]o1 CAS:2763-96-4 KEGG:C08311 KNApSAcK:C00001423 PMID:18599311 PMID:21427702 PMID:21751026 PMID:2181052 PMID:22049436 PMID:24259680 PMID:24316475 PMID:24473816 Reaxys:774694 Wikipedia:Muscimol 5-(aminomethyl)-1,2-oxazol-3(2H)-one Muscimol chebi_ontology 5-(aminomethyl)-3(2H)-isoxazolone CHEBI:7035 muscimol CAS:2763-96-4 ChemIDplus CAS:2763-96-4 KEGG COMPOUND PMID:18599311 Europe PMC PMID:21427702 Europe PMC PMID:21751026 Europe PMC PMID:2181052 Europe PMC PMID:22049436 Europe PMC PMID:24259680 Europe PMC PMID:24316475 Europe PMC PMID:24473816 Europe PMC Reaxys:774694 Reaxys 5-(aminomethyl)-1,2-oxazol-3(2H)-one IUPAC Muscimol KEGG_COMPOUND 5-(aminomethyl)-3(2H)-isoxazolone ChemIDplus An antagonist at any adenosine receptor. Wikipedia:Adenosine_receptor chebi_ontology adenosine receptor antagonists CHEBI:71232 adenosine receptor antagonist adenosine receptor antagonists ChEBI An enzyme inhibitor that inhibits the action of a transferase (EC 2.*) Wikipedia:Transferase chebi_ontology EC 2 inhibitor EC 2 inhibitors EC 2.* (transferase) inhibitors EC 2.* inhibitor EC 2.* inhibitors transferase inhibitor transferase inhibitors CHEBI:71300 EC 2.* (transferase) inhibitor EC 2 inhibitor ChEBI EC 2 inhibitors ChEBI EC 2.* (transferase) inhibitors ChEBI EC 2.* inhibitor ChEBI EC 2.* inhibitors ChEBI transferase inhibitor ChEBI transferase inhibitors ChEBI An amino-acid anion in which the amino group is situated gamma- to the carboxylate group. chebi_ontology gamma-amino acid anions CHEBI:71666 gamma-amino acid anion gamma-amino acid anions ChEBI A cyclic ketal in which the ketal carbon is the only common atom of two rings. PMID:19262920 PMID:20024126 PMID:21076755 PMID:21604735 PMID:21860857 PMID:22421755 chebi_ontology spiroacetal spiroacetals spiroketals CHEBI:72600 spiroketal PMID:19262920 Europe PMC PMID:20024126 Europe PMC PMID:21076755 Europe PMC PMID:21604735 Europe PMC PMID:21860857 Europe PMC PMID:22421755 Europe PMC spiroacetal ChEBI spiroacetals ChEBI spiroketals ChEBI Any molecule that consists of at least one carbon atom as part of the electrically neutral entity. chebi_ontology organic compound organic compounds organic molecules CHEBI:72695 organic molecule organic compound ChEBI organic compounds ChEBI organic molecules ChEBI Any hydrolase inhibitor that interferes with the action of a hydrolase which acts on acid anhydrides (EC 3.6.*.*). CHEBI:76765 chebi_ontology EC 3.6 inhibitor EC 3.6 inhibitors EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors EC 3.6.* inhibitor EC 3.6.* inhibitors EC 3.6.*.* inhibitor EC 3.6.*.* inhibitors acid anhydride hydrolase inhibitor acid anhydride hydrolase inhibitors inhibitor of hydrolase acting on acid anhydride (EC 3.6.*) inhibitors of hydrolase acting on acid anhydride (EC 3.6.*) CHEBI:73216 EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor EC 3.6 inhibitor ChEBI EC 3.6 inhibitors ChEBI EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors ChEBI EC 3.6.* inhibitor ChEBI EC 3.6.* inhibitors ChEBI EC 3.6.*.* inhibitor ChEBI EC 3.6.*.* inhibitors ChEBI acid anhydride hydrolase inhibitor ChEBI acid anhydride hydrolase inhibitors ChEBI inhibitor of hydrolase acting on acid anhydride (EC 3.6.*) ChEBI inhibitors of hydrolase acting on acid anhydride (EC 3.6.*) ChEBI An acaricide that kills mites of the genus Sarcoptes. Wikipedia:Scabicide chebi_ontology scabicides CHEBI:73333 scabicide scabicides ChEBI A mancude heterobicyclic organic group consisting of a benzene ring fused to a pyrrole ring. 0 C8N 110.09230 110.00307 C1(=C(C(=C2C(=C1*)N(C(=C2*)*)*)*)*)* chebi_ontology CHEBI:73398 indole skeleton A bicyclic organic group that contains both carbon and hetero atoms. chebi_ontology organic heterobicyclic rings CHEBI:73541 organic heterobicyclic ring organic heterobicyclic rings ChEBI A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides. PMID:10634967 PMID:19159745 PMID:22259088 PMID:22268909 PMID:22524563 PMID:22879057 PMID:23082721 PMID:23148246 PMID:23396451 PMID:23466063 PMID:23557707 Wikipedia:Ketone_body chebi_ontology ketone bodies CHEBI:73693 ketone body PMID:10634967 Europe PMC PMID:19159745 Europe PMC PMID:22259088 Europe PMC PMID:22268909 Europe PMC PMID:22524563 Europe PMC PMID:22879057 Europe PMC PMID:23082721 Europe PMC PMID:23148246 Europe PMC PMID:23396451 Europe PMC PMID:23466063 Europe PMC PMID:23557707 Europe PMC ketone bodies ChEBI An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that inhibits the action of ribonucleoside-diphosphate reductase (EC 1.17.4.1). Wikipedia:Ribonucleoside-diphosphate_reductase chebi_ontology 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitor 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitors ADP reductase inhibitor ADP reductase inhibitors CDP reductase inhibitor CDP reductase inhibitors EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitors EC 1.17.4.1 inhibitor EC 1.17.4.1 inhibitors RR inhibitor RR inhibitors UDP reductase inhibitor UDP reductase inhibitors nucleoside diphosphate reductase inhibitor nucleoside diphosphate reductase inhibitors ribonucleoside diphosphate reductase inhibitor ribonucleoside diphosphate reductase inhibitors ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitor ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitors ribonucleoside-diphosphate reductase inhibitor ribonucleoside-diphosphate reductase inhibitors ribonucleotide diphosphate reductase inhibitor ribonucleotide diphosphate reductase inhibitors ribonucleotide reductase inhibitor ribonucleotide reductase inhibitors CHEBI:74213 EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitor ChEBI 2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitors ChEBI ADP reductase inhibitor ChEBI ADP reductase inhibitors ChEBI CDP reductase inhibitor ChEBI CDP reductase inhibitors ChEBI EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitors ChEBI EC 1.17.4.1 inhibitor ChEBI EC 1.17.4.1 inhibitors ChEBI RR inhibitor ChEBI RR inhibitors ChEBI UDP reductase inhibitor ChEBI UDP reductase inhibitors ChEBI nucleoside diphosphate reductase inhibitor ChEBI nucleoside diphosphate reductase inhibitors ChEBI ribonucleoside diphosphate reductase inhibitor ChEBI ribonucleoside diphosphate reductase inhibitors ChEBI ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitor ChEBI ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitors ChEBI ribonucleoside-diphosphate reductase inhibitor ChEBI ribonucleoside-diphosphate reductase inhibitors ChEBI ribonucleotide diphosphate reductase inhibitor ChEBI ribonucleotide diphosphate reductase inhibitors ChEBI ribonucleotide reductase inhibitor ChEBI ribonucleotide reductase inhibitors ChEBI Any steroid lactone that is a C23 steroid with a five-membered lactone ring at C-17 and its substituted derivatives. They form the aglycone constituents of cardiac glycosides. chebi_ontology CHEBI:74634 cardenolides A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. Wikipedia:Astringent chebi_ontology adstringent adstringents astringents CHEBI:74783 astringent adstringent ChEBI adstringents ChEBI astringents ChEBI Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms. chebi_ontology eukaryotic metabolites CHEBI:75763 eukaryotic metabolite eukaryotic metabolites ChEBI Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. CHEBI:77721 CHEBI:77743 chebi_ontology animal metabolites CHEBI:75767 animal metabolite animal metabolites ChEBI Any animal metabolite produced during a metabolic reaction in mammals. CHEBI:77464 CHEBI:77744 chebi_ontology mammalian metabolites CHEBI:75768 mammalian metabolite mammalian metabolites ChEBI Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). chebi_ontology Mus musculus metabolite Mus musculus metabolites mouse metabolites CHEBI:75771 mouse metabolite Mus musculus metabolite ChEBI Mus musculus metabolites ChEBI mouse metabolites ChEBI Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae). CHEBI:76949 CHEBI:76951 chebi_ontology S. cerevisiae metabolite S. cerevisiae metabolites S. cerevisiae secondary metabolite S. cerevisiae secondary metabolites Saccharomyces cerevisiae metabolites Saccharomyces cerevisiae secondary metabolites baker's yeast metabolite baker's yeast metabolites baker's yeast secondary metabolite baker's yeast secondary metabolites CHEBI:75772 Saccharomyces cerevisiae metabolite S. cerevisiae metabolite ChEBI S. cerevisiae metabolites ChEBI S. cerevisiae secondary metabolite ChEBI S. cerevisiae secondary metabolites ChEBI Saccharomyces cerevisiae metabolites ChEBI Saccharomyces cerevisiae secondary metabolites ChEBI baker's yeast metabolite ChEBI baker's yeast metabolites ChEBI baker's yeast secondary metabolite ChEBI baker's yeast secondary metabolites ChEBI Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea. chebi_ontology prokaryotic metabolites CHEBI:75787 prokaryotic metabolite prokaryotic metabolites ChEBI Any metabolite produced by metabolism of a xenobiotic compound. chebi_ontology xenobiotic metabolites CHEBI:76206 xenobiotic metabolite xenobiotic metabolites ChEBI A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'. Wikipedia:Greenhouse_gas chebi_ontology greenhouse gases CHEBI:76413 greenhouse gas greenhouse gases ChEBI A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans. PMID:22519407 PMID:24001847 chebi_ontology propellants CHEBI:76414 propellant PMID:22519407 Europe PMC PMID:24001847 Europe PMC propellants ChEBI Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. CHEBI:77078 chebi_ontology marine metabolites CHEBI:76507 marine metabolite marine metabolites ChEBI A transferase inhibitor that interferes with the action of an acyltransferase (EC 2.3.*.*). chebi_ontology EC 2.3.* (acyltransferase) inhibitors EC 2.3.* inhibitor EC 2.3.* inhibitors acyltransferase inhibitor acyltransferase inhibitors CHEBI:76661 EC 2.3.* (acyltransferase) inhibitor EC 2.3.* (acyltransferase) inhibitors ChEBI EC 2.3.* inhibitor ChEBI EC 2.3.* inhibitors ChEBI acyltransferase inhibitor ChEBI acyltransferase inhibitors ChEBI A transferase inhibitor that inhibits the transfer of an alkyl (other than methyl) or aryl group (EC 2.5.1.*). chebi_ontology EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors EC 2.5.1.* inhibitor EC 2.5.1.* inhibitors alkyl/aryl (non-methyl) transferase inhibitor alkyl/aryl (non-methyl) transferase inhibitors non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors non-methyl alkyl/aryl transferase inhibitor non-methyl alkyl/aryl transferase inhibitors non-methyl-alkyl or aryl transferase inhibitor non-methyl-alkyl or aryl transferase inhibitors CHEBI:76663 EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors ChEBI EC 2.5.1.* inhibitor ChEBI EC 2.5.1.* inhibitors ChEBI alkyl/aryl (non-methyl) transferase inhibitor ChEBI alkyl/aryl (non-methyl) transferase inhibitors ChEBI non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor ChEBI non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors ChEBI non-methyl alkyl/aryl transferase inhibitor ChEBI non-methyl alkyl/aryl transferase inhibitors ChEBI non-methyl-alkyl or aryl transferase inhibitor ChEBI non-methyl-alkyl or aryl transferase inhibitors ChEBI A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*). chebi_ontology EC 2.7.* (P-containing group transferase) inhibitors EC 2.7.* (phosphorus-containing group transferase) inhibitor EC 2.7.* (phosphorus-containing group transferase) inhibitors EC 2.7.* inhibitor EC 2.7.* inhibitors phosphorus-containing group transferase (EC 2.7.*) inhibitor phosphorus-containing group transferase (EC 2.7.*) inhibitors phosphorus-containing group transferase inhibitor phosphorus-containing group transferase inhibitors CHEBI:76668 EC 2.7.* (P-containing group transferase) inhibitor EC 2.7.* (P-containing group transferase) inhibitors ChEBI EC 2.7.* (phosphorus-containing group transferase) inhibitor ChEBI EC 2.7.* (phosphorus-containing group transferase) inhibitors ChEBI EC 2.7.* inhibitor ChEBI EC 2.7.* inhibitors ChEBI phosphorus-containing group transferase (EC 2.7.*) inhibitor ChEBI phosphorus-containing group transferase (EC 2.7.*) inhibitors ChEBI phosphorus-containing group transferase inhibitor ChEBI phosphorus-containing group transferase inhibitors ChEBI An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation. Wikipedia:Lyase chebi_ontology EC 4.* (lyase) inhibitors EC 4.* inhibitor EC 4.* inhibitors EC 4.*.*.* inhibitor EC 4.*.*.* inhibitors lyase (EC 4.*) inhibitor lyase (EC 4.*) inhibitorS lyase inhibitor lyase inhibitors CHEBI:76710 EC 4.* (lyase) inhibitor EC 4.* (lyase) inhibitors ChEBI EC 4.* inhibitor ChEBI EC 4.* inhibitors ChEBI EC 4.*.*.* inhibitor ChEBI EC 4.*.*.* inhibitors ChEBI lyase (EC 4.*) inhibitor ChEBI lyase (EC 4.*) inhibitorS ChEBI lyase inhibitor ChEBI lyase inhibitors ChEBI A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*). chebi_ontology C-N lyase (EC 4.3.*) inhibitor C-N lyase (EC 4.3.*) inhibitors C-N lyase inhibitor C-N lyase inhibitors EC 4.3.* (C-N lyase) inhibitors EC 4.3.* inhibitor EC 4.3.* inhibitors CHEBI:76713 EC 4.3.* (C-N lyase) inhibitor C-N lyase (EC 4.3.*) inhibitor ChEBI C-N lyase (EC 4.3.*) inhibitors ChEBI C-N lyase inhibitor ChEBI C-N lyase inhibitors ChEBI EC 4.3.* (C-N lyase) inhibitors ChEBI EC 4.3.* inhibitor ChEBI EC 4.3.* inhibitors ChEBI An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*). Wikipedia:Oxidoreductase chebi_ontology EC 1.* (oxidoreductase) inhibitors EC 1.* inhibitor EC 1.* inhibitors oxidoreductase (EC 1.*) inhibitor oxidoreductase (EC 1.*) inhibitors oxidoreductase inhibitor oxidoreductase inhibitors CHEBI:76725 EC 1.* (oxidoreductase) inhibitor EC 1.* (oxidoreductase) inhibitors ChEBI EC 1.* inhibitor ChEBI EC 1.* inhibitors ChEBI oxidoreductase (EC 1.*) inhibitor ChEBI oxidoreductase (EC 1.*) inhibitors ChEBI oxidoreductase inhibitor ChEBI oxidoreductase inhibitors ChEBI An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on CH or CH2 (EC 1.17.*.*). chebi_ontology EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors EC 1.17.* inhibitor EC 1.17.* inhibitors oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors oxidoreductase acting on CH or CH2 inhibitor oxidoreductase acting on CH or CH2 inhibitors CHEBI:76744 EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors ChEBI EC 1.17.* inhibitor ChEBI EC 1.17.* inhibitors ChEBI oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor ChEBI oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors ChEBI oxidoreductase acting on CH or CH2 inhibitor ChEBI oxidoreductase acting on CH or CH2 inhibitors ChEBI Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*). Wikipedia:Hydrolase chebi_ontology EC 3.* (hydrolase) inhibitors EC 3.* inhibitor EC 3.* inhibitors EC 3.*.*.* inhibitor EC 3.*.*.* inhibitors hydrolase (EC 3.*) inhibitor hydrolase (EC 3.*) inhibitors hydrolase inhibitor hydrolase inhibitors CHEBI:76759 EC 3.* (hydrolase) inhibitor EC 3.* (hydrolase) inhibitors ChEBI EC 3.* inhibitor ChEBI EC 3.* inhibitors ChEBI EC 3.*.*.* inhibitor ChEBI EC 3.*.*.* inhibitors ChEBI hydrolase (EC 3.*) inhibitor ChEBI hydrolase (EC 3.*) inhibitors ChEBI hydrolase inhibitor ChEBI hydrolase inhibitors ChEBI A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*). chebi_ontology EC 3.1.* (ester hydrolase) inhibitors EC 3.1.* inhibitor EC 3.1.* inhibitors ester hydrolase (EC 3.1.*) inhibitor ester hydrolase (EC 3.1.*) inhibitors ester hydrolase inhibitor ester hydrolase inhibitors CHEBI:76760 EC 3.1.* (ester hydrolase) inhibitor EC 3.1.* (ester hydrolase) inhibitors ChEBI EC 3.1.* inhibitor ChEBI EC 3.1.* inhibitors ChEBI ester hydrolase (EC 3.1.*) inhibitor ChEBI ester hydrolase (EC 3.1.*) inhibitors ChEBI ester hydrolase inhibitor ChEBI ester hydrolase inhibitors ChEBI Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*). chebi_ontology EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors EC 3.5.* inhibitor EC 3.5.* inhibitors CHEBI:76764 EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor ChEBI EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors ChEBI EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor ChEBI EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors ChEBI EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors ChEBI EC 3.5.* inhibitor ChEBI EC 3.5.* inhibitors ChEBI An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*). chebi_ontology EC 3.1.1.* (carboxylic ester hydrolase) inhibitors EC 3.1.1.* inhibitor EC 3.1.1.* inhibitors carboxylic ester hydrolase (EC 3.1.1.*) inhibitor carboxylic ester hydrolase (EC 3.1.1.*) inhibitors CHEBI:76773 EC 3.1.1.* (carboxylic ester hydrolase) inhibitor EC 3.1.1.* (carboxylic ester hydrolase) inhibitors ChEBI EC 3.1.1.* inhibitor ChEBI EC 3.1.1.* inhibitors ChEBI carboxylic ester hydrolase (EC 3.1.1.*) inhibitor ChEBI carboxylic ester hydrolase (EC 3.1.1.*) inhibitors ChEBI An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any phosphoric monoester hydrolase (EC 3.1.3.*). chebi_ontology EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors EC 3.1.3.* inhibitor EC 3.1.3.* inhibitors inhibitor of phosphoric monoester hydrolase inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors of phosphoric monoester hydrolase inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*) phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors phosphoric monoester hydrolase inhibitor phosphoric monoester hydrolase inhibitors CHEBI:76775 EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors ChEBI EC 3.1.3.* inhibitor ChEBI EC 3.1.3.* inhibitors ChEBI inhibitor of phosphoric monoester hydrolase ChEBI inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*) ChEBI inhibitors of phosphoric monoester hydrolase ChEBI inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*) ChEBI phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor ChEBI phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors ChEBI phosphoric monoester hydrolase inhibitor ChEBI phosphoric monoester hydrolase inhibitors ChEBI Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26). chebi_ontology EC 3.4.21.26 (prolyl oligopeptidase) inhibitors EC 3.4.21.26 inhibitor EC 3.4.21.26 inhibitors endoprolylpeptidase inhibitor endoprolylpeptidase inhibitors post-proline cleaving enzyme inhibitor post-proline cleaving enzyme inhibitors post-proline endopeptidase inhibitor post-proline endopeptidase inhibitors proline endopeptidase inhibitor proline endopeptidase inhibitors proline-specific endopeptidase inhibitor proline-specific endopeptidase inhibitors prolyl endopeptidase inhibitor prolyl endopeptidase inhibitors prolyl oligopeptidase (EC 3.4.21.26) inhibitor prolyl oligopeptidase (EC 3.4.21.26) inhibitors prolyl oligopeptidase inhibitor CHEBI:76779 EC 3.4.21.26 (prolyl oligopeptidase) inhibitor EC 3.4.21.26 (prolyl oligopeptidase) inhibitors ChEBI EC 3.4.21.26 inhibitor ChEBI EC 3.4.21.26 inhibitors ChEBI endoprolylpeptidase inhibitor ChEBI endoprolylpeptidase inhibitors ChEBI post-proline cleaving enzyme inhibitor ChEBI post-proline cleaving enzyme inhibitors ChEBI post-proline endopeptidase inhibitor ChEBI post-proline endopeptidase inhibitors ChEBI proline endopeptidase inhibitor ChEBI proline endopeptidase inhibitors ChEBI proline-specific endopeptidase inhibitor ChEBI proline-specific endopeptidase inhibitors ChEBI prolyl endopeptidase inhibitor ChEBI prolyl endopeptidase inhibitors ChEBI prolyl oligopeptidase (EC 3.4.21.26) inhibitor ChEBI prolyl oligopeptidase (EC 3.4.21.26) inhibitors ChEBI prolyl oligopeptidase inhibitor ChEBI An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18). Wikipedia:Glutathione_S-transferase chebi_ontology EC 2.5.1.18 (glutathione transferase) inhibitors EC 2.5.1.18 inhibitor EC 2.5.1.18 inhibitors RX:glutathione R-transferase inhibitor RX:glutathione R-transferase inhibitors S-(hydroxyalkyl)glutathione lyase inhibitor S-(hydroxyalkyl)glutathione lyase inhibitors glutathione S-alkyl transferase inhibitor glutathione S-alkyl transferase inhibitors glutathione S-alkyltransferase inhibitor glutathione S-alkyltransferase inhibitors glutathione S-aralkyltransferase inhibitor glutathione S-aralkyltransferase inhibitors glutathione S-aryltransferase inhibitor glutathione S-aryltransferase inhibitors glutathione S-transferase inhibitor glutathione S-transferase inhibitors glutathione transferase (EC 2.5.1.18) inhibitor glutathione transferase (EC 2.5.1.18) inhibitors glutathione transferase inhibitor glutathione transferase inhibitors CHEBI:76797 EC 2.5.1.18 (glutathione transferase) inhibitor EC 2.5.1.18 (glutathione transferase) inhibitors ChEBI EC 2.5.1.18 inhibitor ChEBI EC 2.5.1.18 inhibitors ChEBI RX:glutathione R-transferase inhibitor ChEBI RX:glutathione R-transferase inhibitors ChEBI S-(hydroxyalkyl)glutathione lyase inhibitor ChEBI S-(hydroxyalkyl)glutathione lyase inhibitors ChEBI glutathione S-alkyl transferase inhibitor ChEBI glutathione S-alkyl transferase inhibitors ChEBI glutathione S-alkyltransferase inhibitor ChEBI glutathione S-alkyltransferase inhibitors ChEBI glutathione S-aralkyltransferase inhibitor ChEBI glutathione S-aralkyltransferase inhibitors ChEBI glutathione S-aryltransferase inhibitor ChEBI glutathione S-aryltransferase inhibitors ChEBI glutathione S-transferase inhibitor ChEBI glutathione S-transferase inhibitors ChEBI glutathione transferase (EC 2.5.1.18) inhibitor ChEBI glutathione transferase (EC 2.5.1.18) inhibitors ChEBI glutathione transferase inhibitor ChEBI glutathione transferase inhibitors ChEBI An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*). chebi_ontology EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors EC 3.5.1.* inhibitor EC 3.5.1.* inhibitors non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors CHEBI:76807 EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors ChEBI EC 3.5.1.* inhibitor ChEBI EC 3.5.1.* inhibitors ChEBI non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor ChEBI non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-serine/threonine kinase (EC 2.7.11.*). chebi_ontology EC 2.7.11.* (protein-serine/threonine kinase) inhibitors EC 2.7.11.* inhibitor EC 2.7.11.* inhibitors protein-serine/threonine kinase (EC 2.7.11.*) inhibitor protein-serine/threonine kinase (EC 2.7.11.*) inhibitors protein-serine/threonine kinase inhibitor protein-serine/threonine kinase inhibitors CHEBI:76812 EC 2.7.11.* (protein-serine/threonine kinase) inhibitor EC 2.7.11.* (protein-serine/threonine kinase) inhibitors ChEBI EC 2.7.11.* inhibitor ChEBI EC 2.7.11.* inhibitors ChEBI protein-serine/threonine kinase (EC 2.7.11.*) inhibitor ChEBI protein-serine/threonine kinase (EC 2.7.11.*) inhibitors ChEBI protein-serine/threonine kinase inhibitor ChEBI protein-serine/threonine kinase inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*). chebi_ontology EC 2.7.7.* (nucleotidyltransferase) inhibitors inhibitor of nucleotidyltransferases inhibitor of nucleotidyltransferases (EC 2.7.7.*) inhibitors of nucleotidyltransferases inhibitors of nucleotidyltransferases (EC 2.7.7.*) nucleotidyltransferase (EC 2.7.7.*) inhibitor nucleotidyltransferase (EC 2.7.7.*) inhibitors nucleotidyltransferase inhibitor nucleotidyltransferase inhibitors CHEBI:76815 EC 2.7.7.* (nucleotidyltransferase) inhibitor EC 2.7.7.* (nucleotidyltransferase) inhibitors ChEBI inhibitor of nucleotidyltransferases ChEBI inhibitor of nucleotidyltransferases (EC 2.7.7.*) ChEBI inhibitors of nucleotidyltransferases ChEBI inhibitors of nucleotidyltransferases (EC 2.7.7.*) ChEBI nucleotidyltransferase (EC 2.7.7.*) inhibitor ChEBI nucleotidyltransferase (EC 2.7.7.*) inhibitors ChEBI nucleotidyltransferase inhibitor ChEBI nucleotidyltransferase inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with any enzyme in the EC 2.7.8.* (transferases for other substituted phosphate groups) category. chebi_ontology EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitors EC 2.7.8.* inhibitor EC 2.7.8.* inhibitors CHEBI:76816 EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitors ChEBI EC 2.7.8.* inhibitor ChEBI EC 2.7.8.* inhibitors ChEBI An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*). chebi_ontology EC 4.3.1.* (ammonia-lyase) inhibitors EC 4.3.1.* (ammonia-lyases) inhibitor EC 4.3.1.* (ammonia-lyases) inhibitors EC 4.3.1.* inhibitor EC 4.3.1.* inhibitors ammonia-lyase (EC 4.3.1.*) inhibitor ammonia-lyase (EC 4.3.1.*) inhibitors ammonia-lyase inhibitor ammonia-lyase inhibitors CHEBI:76832 EC 4.3.1.* (ammonia-lyase) inhibitor EC 4.3.1.* (ammonia-lyase) inhibitors ChEBI EC 4.3.1.* (ammonia-lyases) inhibitor ChEBI EC 4.3.1.* (ammonia-lyases) inhibitors ChEBI EC 4.3.1.* inhibitor ChEBI EC 4.3.1.* inhibitors ChEBI ammonia-lyase (EC 4.3.1.*) inhibitor ChEBI ammonia-lyase (EC 4.3.1.*) inhibitors ChEBI ammonia-lyase inhibitor ChEBI ammonia-lyase inhibitors ChEBI An EC 2.5.* (transferase) inhibitor that inhibits the action of any transferase that transfers an alkyl (other than methyl) or aryl group (EC 2.5.*). chebi_ontology EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors EC 2.5.* inhibitor EC 2.5.* inhibitors non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors CHEBI:76834 EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors ChEBI EC 2.5.* inhibitor ChEBI EC 2.5.* inhibitors ChEBI non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor ChEBI non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors ChEBI An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that interferes with the activity of any such enzyme that uses a disulfide as acceptor (EC 1.17.4.*). chebi_ontology EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitors EC 1.17.4.* inhibitor EC 1.17.4.* inhibitors oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitor oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitors CHEBI:76848 EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitors ChEBI EC 1.17.4.* inhibitor ChEBI EC 1.17.4.* inhibitors ChEBI oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitor ChEBI oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitors ChEBI An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme that catalyses transmembrane movement of substances (EC 3.6.3.*). chebi_ontology EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitors EC 3.6.3.* inhibitor EC 3.6.3.* inhibitors acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitor acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitors CHEBI:76895 EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitors ChEBI EC 3.6.3.* inhibitor ChEBI EC 3.6.3.* inhibitors ChEBI acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitor ChEBI acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitors ChEBI Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. CHEBI:75766 CHEBI:76925 chebi_ontology plant metabolites plant secondary metabolites CHEBI:76924 plant metabolite plant metabolites ChEBI plant secondary metabolites ChEBI An enzyme inhibitor that interferes with one or more steps in a metabolic pathway. chebi_ontology metabolic pathway inhibitor metabolic pathway inhibitors pathway inhibitors CHEBI:76932 pathway inhibitor metabolic pathway inhibitor ChEBI metabolic pathway inhibitors ChEBI pathway inhibitors ChEBI Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. CHEBI:75765 CHEBI:76947 chebi_ontology fungal metabolites CHEBI:76946 fungal metabolite fungal metabolites ChEBI Any human metabolite produced by metabolism of a xenobiotic compound in humans. chebi_ontology human xenobiotic metabolites CHEBI:76967 human xenobiotic metabolite human xenobiotic metabolites ChEBI Any prokaryotic metabolite produced during a metabolic reaction in bacteria. CHEBI:75760 CHEBI:76970 chebi_ontology CHEBI:76969 bacterial metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. chebi_ontology E.coli metabolite E.coli metabolites Escherichia coli metabolites CHEBI:76971 Escherichia coli metabolite E.coli metabolite ChEBI E.coli metabolites ChEBI Escherichia coli metabolites ChEBI Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. chebi_ontology bacterial xenobiotic metabolites CHEBI:76976 bacterial xenobiotic metabolite bacterial xenobiotic metabolites ChEBI A synthetic or semi-synthetic compound that has oestrogenic activity. Wikipedia:Xenoestrogen chebi_ontology xenoestrogens CHEBI:76988 xenoestrogen xenoestrogens ChEBI An EC 2.3.* (acyltransferase) inhibitor that interferes with the action of an acyltransferase which converts the acyl group to an alkyl group on transfer (EC 2.3.3.*). chebi_ontology EC 2.3.3.* (acyltransferase converting acyl to alkyl group on transfer) inhibitors EC 2.3.3.* inhibitor EC 2.3.3.* inhibitors acyltransferase converting acyl to alkyl group on transfer (EC 2.3.3.*) inhibitor acyltransferase converting acyl to alkyl group on transfer (EC 2.3.3.*) inhibitors CHEBI:77022 EC 2.3.3.* (acyltransferase converting acyl to alkyl group on transfer) inhibitor EC 2.3.3.* (acyltransferase converting acyl to alkyl group on transfer) inhibitors ChEBI EC 2.3.3.* inhibitor ChEBI EC 2.3.3.* inhibitors ChEBI acyltransferase converting acyl to alkyl group on transfer (EC 2.3.3.*) inhibitor ChEBI acyltransferase converting acyl to alkyl group on transfer (EC 2.3.3.*) inhibitors ChEBI An EC 2.3.3.* (acyltransferase converting acyl to alkyl group on transfer) inhibitor that interferes with the action of citrate (Si)-synthase, EC 2.3.3.1. Wikipedia:Citrate_synthase chebi_ontology (R)-citrate synthase inhibitor (R)-citrate synthase inhibitors EC 2.3.3.1 (citrate (Si)-synthase) inhibitor EC 2.3.3.1 (citrate (Si)-synthase) inhibitors EC 2.3.3.1 [citrate (Si)-synthase] inhibitors EC 2.3.3.1 inhibitor EC 2.3.3.1 inhibitors acetyl-CoA:oxaloacetate C-acetyltransferase [thioester-hydrolysing, (pro-S)-carboxymethyl forming] inhibitor acetyl-CoA:oxaloacetate C-acetyltransferase [thioester-hydrolysing, (pro-S)-carboxymethyl forming] inhibitors citrate (Si)-synthase (EC 2.3.3.1) inhibitor citrate (Si)-synthase (EC 2.3.3.1) inhibitors citrate condensing enzyme inhibitor citrate condensing enzyme inhibitors citrate oxaloacetate-lyase [(pro-3S)-CH2COO->acetyl-CoA] inhibitor citrate oxaloacetate-lyase [(pro-3S)-CH2COO->acetyl-CoA] inhibitors citrate oxaloacetate-lyase, CoA-acetylating inhibitor citrate oxaloacetate-lyase, CoA-acetylating inhibitors citrate synthase inhibitor citrate synthase inhibitors citrate synthetase inhibitor citrate synthetase inhibitors citric synthase inhibitor citric synthase inhibitors citric-condensing enzyme inhibitor citric-condensing enzyme inhibitors citrogenase inhibitor citrogenase inhibitors condensing enzyme inhibitor condensing enzyme inhibitors oxalacetic transacetase inhibitor oxalacetic transacetase inhibitors oxaloacetate transacetase inhibitor oxaloacetate transacetase inhibitors CHEBI:77023 EC 2.3.3.1 [citrate (Si)-synthase] inhibitor (R)-citrate synthase inhibitor ChEBI (R)-citrate synthase inhibitors ChEBI EC 2.3.3.1 (citrate (Si)-synthase) inhibitor ChEBI EC 2.3.3.1 (citrate (Si)-synthase) inhibitors ChEBI EC 2.3.3.1 [citrate (Si)-synthase] inhibitors ChEBI EC 2.3.3.1 inhibitor ChEBI EC 2.3.3.1 inhibitors ChEBI acetyl-CoA:oxaloacetate C-acetyltransferase [thioester-hydrolysing, (pro-S)-carboxymethyl forming] inhibitor ChEBI acetyl-CoA:oxaloacetate C-acetyltransferase [thioester-hydrolysing, (pro-S)-carboxymethyl forming] inhibitors ChEBI citrate (Si)-synthase (EC 2.3.3.1) inhibitor ChEBI citrate (Si)-synthase (EC 2.3.3.1) inhibitors ChEBI citrate condensing enzyme inhibitor ChEBI citrate condensing enzyme inhibitors ChEBI citrate oxaloacetate-lyase [(pro-3S)-CH2COO->acetyl-CoA] inhibitor ChEBI citrate oxaloacetate-lyase [(pro-3S)-CH2COO->acetyl-CoA] inhibitors ChEBI citrate oxaloacetate-lyase, CoA-acetylating inhibitor ChEBI citrate oxaloacetate-lyase, CoA-acetylating inhibitors ChEBI citrate synthase inhibitor ChEBI citrate synthase inhibitors ChEBI citrate synthetase inhibitor ChEBI citrate synthetase inhibitors ChEBI citric synthase inhibitor ChEBI citric synthase inhibitors ChEBI citric-condensing enzyme inhibitor ChEBI citric-condensing enzyme inhibitors ChEBI citrogenase inhibitor ChEBI citrogenase inhibitors ChEBI condensing enzyme inhibitor ChEBI condensing enzyme inhibitors ChEBI oxalacetic transacetase inhibitor ChEBI oxalacetic transacetase inhibitors ChEBI oxaloacetate transacetase inhibitor ChEBI oxaloacetate transacetase inhibitors ChEBI An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of 4-nitrophenylphosphatase (EC 3.1.3.41). Wikipedia:4-nitrophenylphosphatase chebi_ontology 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitor 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitors 4-nitrophenylphosphate phosphohydrolase inhibitor 4-nitrophenylphosphate phosphohydrolase inhibitors EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitors EC 3.1.3.41 inhibitor EC 3.1.3.41 inhibitors Ecto-p-nitrophenyl phosphatase inhibitor Ecto-p-nitrophenyl phosphatase inhibitors K-pNPPase inhibitor K-pNPPase inhibitors NPPase inhibitor NPPase inhibitors PNPPase inhibitor PNPPase inhibitors nitrophenyl phosphatase inhibitor nitrophenyl phosphatase inhibitors p-nitrophenylphosphatase inhibitor p-nitrophenylphosphatase inhibitors p-nitrophenylphosphate phosphohydrolase inhibitor p-nitrophenylphosphate phosphohydrolase inhibitors para-nitrophenyl phosphatase inhibitor para-nitrophenyl phosphatase inhibitors xK-pNPPase inhibitors CHEBI:77024 EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitor ChEBI 4-nitrophenylphosphatase (EC 3.1.3.41) inhibitors ChEBI 4-nitrophenylphosphate phosphohydrolase inhibitor ChEBI 4-nitrophenylphosphate phosphohydrolase inhibitors ChEBI EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitors ChEBI EC 3.1.3.41 inhibitor ChEBI EC 3.1.3.41 inhibitors ChEBI Ecto-p-nitrophenyl phosphatase inhibitor ChEBI Ecto-p-nitrophenyl phosphatase inhibitors ChEBI K-pNPPase inhibitor ChEBI K-pNPPase inhibitors ChEBI NPPase inhibitor ChEBI NPPase inhibitors ChEBI PNPPase inhibitor ChEBI PNPPase inhibitors ChEBI nitrophenyl phosphatase inhibitor ChEBI nitrophenyl phosphatase inhibitors ChEBI p-nitrophenylphosphatase inhibitor ChEBI p-nitrophenylphosphatase inhibitors ChEBI p-nitrophenylphosphate phosphohydrolase inhibitor ChEBI p-nitrophenylphosphate phosphohydrolase inhibitors ChEBI para-nitrophenyl phosphatase inhibitor ChEBI para-nitrophenyl phosphatase inhibitors ChEBI xK-pNPPase inhibitors ChEBI Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex. PMID:17594730 chebi_ontology expectorants CHEBI:77035 expectorant PMID:17594730 Europe PMC expectorants ChEBI An imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group. 0 C11H12N2S InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 HLFSDGLLUJUHTE-UHFFFAOYSA-N 204.29100 204.07212 C1CN2CC(N=C2S1)c1ccccc1 LINCS:LSM-1579 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole chebi_ontology CHEBI:77278 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole IUPAC A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has R configuration. 0 C11H12N2S InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m0/s1 HLFSDGLLUJUHTE-JTQLQIEISA-N 204.29100 204.07212 C1CN2C[C@H](N=C2S1)c1ccccc1 CAS:14769-74-5 KEGG:D03708 PMID:189006 PMID:22337783 PMID:669135 PMID:7454609 Reaxys:5267119 (6R)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole chebi_ontology (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole (+)-tetramisole (R)-(+)-tetramisole dexamisol dexamisole dexamisolum CHEBI:77282 dexamisole CAS:14769-74-5 ChemIDplus PMID:189006 Europe PMC PMID:22337783 Europe PMC PMID:669135 Europe PMC PMID:7454609 Europe PMC Reaxys:5267119 Reaxys (6R)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole IUPAC (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole ChEBI (+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole ChEBI (+)-tetramisole ChemIDplus (R)-(+)-tetramisole ChemIDplus dexamisol WHO_MedNet dexamisole WHO_MedNet dexamisolum WHO_MedNet Any protective agent that is able to prevent damage to the heart. chebi_ontology cardioprotective agents CHEBI:77307 cardioprotective agent cardioprotective agents ChEBI An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3). Wikipedia:Histidine_ammonia-lyase chebi_ontology EC 4.3.1.3 (histidine ammonia-lyase) inhibitors EC 4.3.1.3 inhibitor EC 4.3.1.3 inhibitors L-histidine ammonia-lyase (urocanate-forming) inhibitor L-histidine ammonia-lyase (urocanate-forming) inhibitors L-histidine ammonia-lyase inhibitor L-histidine ammonia-lyase inhibitors histidase inhibitor histidase inhibitors histidinase inhibitor histidinase inhibitors histidine alpha-deaminase inhibitor histidine alpha-deaminase inhibitors histidine ammonia-lyase (EC 4.3.1.3) inhibitor histidine ammonia-lyase (EC 4.3.1.3) inhibitors histidine ammonia-lyase inhibitor histidine ammonia-lyase inhibitors CHEBI:77703 EC 4.3.1.3 (histidine ammonia-lyase) inhibitor EC 4.3.1.3 (histidine ammonia-lyase) inhibitors ChEBI EC 4.3.1.3 inhibitor ChEBI EC 4.3.1.3 inhibitors ChEBI L-histidine ammonia-lyase (urocanate-forming) inhibitor ChEBI L-histidine ammonia-lyase (urocanate-forming) inhibitors ChEBI L-histidine ammonia-lyase inhibitor ChEBI L-histidine ammonia-lyase inhibitors ChEBI histidase inhibitor ChEBI histidase inhibitors ChEBI histidinase inhibitor ChEBI histidinase inhibitors ChEBI histidine alpha-deaminase inhibitor ChEBI histidine alpha-deaminase inhibitors ChEBI histidine ammonia-lyase (EC 4.3.1.3) inhibitor ChEBI histidine ammonia-lyase (EC 4.3.1.3) inhibitors ChEBI histidine ammonia-lyase inhibitor ChEBI histidine ammonia-lyase inhibitors ChEBI Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). CHEBI:75770 CHEBI:77123 chebi_ontology H. sapiens metabolite H. sapiens metabolites Homo sapiens metabolite Homo sapiens metabolites CHEBI:77746 human metabolite H. sapiens metabolite ChEBI H. sapiens metabolites ChEBI Homo sapiens metabolite ChEBI Homo sapiens metabolites ChEBI An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4). Wikipedia:Amidase chebi_ontology EC 3.5.1.4 (amidase) inhibitors EC 3.5.1.4 inhibitor EC 3.5.1.4 inhibitors N-acetylaminohydrolase inhibitor N-acetylaminohydrolase inhibitors acylamidase inhibitor acylamidase inhibitors acylamide amidohydrolase inhibitor acylamide amidohydrolase inhibitors amidase (EC 3.5.1.4) inhibitor amidase (EC 3.5.1.4) inhibitors amidase inhibitor amidase inhibitors amidohydrolase inhibitor amidohydrolase inhibitors deaminase inhibitor deaminase inhibitors fatty acylamidase inhibitor fatty acylamidase inhibitors CHEBI:77941 EC 3.5.1.4 (amidase) inhibitor EC 3.5.1.4 (amidase) inhibitors ChEBI EC 3.5.1.4 inhibitor ChEBI EC 3.5.1.4 inhibitors ChEBI N-acetylaminohydrolase inhibitor ChEBI N-acetylaminohydrolase inhibitors ChEBI acylamidase inhibitor ChEBI acylamidase inhibitors ChEBI acylamide amidohydrolase inhibitor ChEBI acylamide amidohydrolase inhibitors ChEBI amidase (EC 3.5.1.4) inhibitor ChEBI amidase (EC 3.5.1.4) inhibitors ChEBI amidase inhibitor ChEBI amidase inhibitors ChEBI amidohydrolase inhibitor ChEBI amidohydrolase inhibitors ChEBI deaminase inhibitor ChEBI deaminase inhibitors ChEBI fatty acylamidase inhibitor ChEBI fatty acylamidase inhibitors ChEBI A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container. Wikipedia:Packaging_gas chebi_ontology food packaging gases CHEBI:77974 food packaging gas food packaging gases ChEBI A propellant that is used to expel foods from an aerosol container. chebi_ontology food propellants CHEBI:78017 food propellant food propellants ChEBI Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C4H7O2 87.09718 87.04460 [O-]C([*])=O chebi_ontology fatty acid 4:0 CHEBI:78115 fatty acid anion 4:0 fatty acid 4:0 UniProt Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3. -1 C6H11O2 115.15034 115.07590 [O-]C([*])=O chebi_ontology fatty acid 6:0 CHEBI:78116 fatty acid anion 6:0 fatty acid 6:0 UniProt A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. chebi_ontology dietary component dietary components food components CHEBI:78295 food component dietary component ChEBI dietary components ChEBI food components ChEBI Any minor or unwanted substance introduced into the environment that can have undesired effects. chebi_ontology environmental contaminants CHEBI:78298 environmental contaminant environmental contaminants ChEBI A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure. Wikipedia:Refrigerant chebi_ontology refrigerants CHEBI:78433 refrigerant refrigerants ChEBI An amino acid-zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3. 0 C2H4NO2R 74.059 74.02420 [NH3+]C([*])C([O-])=O CHEBI:83409 MetaCyc:Alpha-Amino-Acids chebi_ontology alpha-amino acid zwitterion alpha-amino acid zwitterions alpha-amino-acid zwitterions an alpha-amino acid CHEBI:78608 alpha-amino-acid zwitterion MetaCyc:Alpha-Amino-Acids SUBMITTER alpha-amino acid zwitterion ChEBI alpha-amino acid zwitterions ChEBI alpha-amino-acid zwitterions ChEBI an alpha-amino acid UniProt Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation. chebi_ontology carbohydrates and derivatives carbohydrates and their derivatives CHEBI:78616 carbohydrates and carbohydrate derivatives carbohydrates and derivatives ChEBI carbohydrates and their derivatives ChEBI Any metabolite produced by all living cells. chebi_ontology essential metabolite essential metabolites fundamental metabolites CHEBI:78675 fundamental metabolite essential metabolite ChEBI essential metabolites ChEBI fundamental metabolites ChEBI Any organic molecular entity that contains at least one C=C bond. chebi_ontology olefinic compounds CHEBI:78840 olefinic compound olefinic compounds ChEBI The conjugate acid of (R)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. +1 C10H15N2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m1/s1 SNICXCGAKADSCV-SNVBAGLBSA-O 163.23900 163.12297 C[NH+]1CCC[C@@H]1c1cccnc1 MetaCyc:R-NICOTINE (2R)-1-methyl-2-(pyridin-3-yl)pyrrolidinium chebi_ontology (R)-nicotine CHEBI:79008 (R)-nicotinium(1+) MetaCyc:R-NICOTINE SUBMITTER (2R)-1-methyl-2-(pyridin-3-yl)pyrrolidinium IUPAC (R)-nicotine UniProt A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond. chebi_ontology 2,3-unsaturated monocarboxylic acid 2,3-unsaturated monocarboxylic acids alpha,beta-unsaturated monocarboxylic acids CHEBI:79020 alpha,beta-unsaturated monocarboxylic acid 2,3-unsaturated monocarboxylic acid ChEBI 2,3-unsaturated monocarboxylic acids ChEBI alpha,beta-unsaturated monocarboxylic acids ChEBI Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire. Wikipedia:Flame_retardant chebi_ontology flame retardants CHEBI:79314 flame retardant flame retardants ChEBI Any inorganic anion with a valency of three. chebi_ontology trivalent inorganic anions CHEBI:79387 trivalent inorganic anion trivalent inorganic anions ChEBI Any inorganic anion with a valency of two. chebi_ontology divalent inorganic anions CHEBI:79388 divalent inorganic anion divalent inorganic anions ChEBI Any inorganic anion with a valency of one. chebi_ontology monovalent inorganic anions CHEBI:79389 monovalent inorganic anion monovalent inorganic anions ChEBI A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. 0 C17H19N3O InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) MRBDMNSDAVCSSF-UHFFFAOYSA-N 281.35230 281.15281 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 CAS:50-60-2 DrugBank:DB00692 Drug_Central:2142 HMDB:HMDB0014830 KEGG:D00509 KEGG:D08362 LINCS:LSM-4022 PMID:23438114 PMID:23522530 PMID:23658874 PMID:23666670 PMID:23887290 PMID:23926134 Patent:US2503059 Reaxys:272944 Wikipedia:Phentolamine 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol chebi_ontology 2-(N-(m-hydroxyphenyl)-p-toluidinomethyl)imidazoline Phentolamine mesylate Regitina Regitine Rogitine fentolamina phentolamine phentolaminum CHEBI:8081 phentolamine CAS:50-60-2 ChemIDplus Drug_Central:2142 DrugCentral PMID:23438114 Europe PMC PMID:23522530 Europe PMC PMID:23658874 Europe PMC PMID:23666670 Europe PMC PMID:23887290 Europe PMC PMID:23926134 Europe PMC Reaxys:272944 Reaxys 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol IUPAC 2-(N-(m-hydroxyphenyl)-p-toluidinomethyl)imidazoline ChemIDplus Phentolamine mesylate KEGG_COMPOUND Regitina ChEBI Regitine ChemIDplus Rogitine ChEBI fentolamina ChemIDplus phentolamine ChemIDplus phentolamine WHO_MedNet phentolaminum ChemIDplus A diterpenoid with the structure of tigliane hydroxylated at C-4, -9, -12(beta), -13 and -20, with an oxo group at C-3 and unsaturation at the 1- and 6-positions. 0 C20H28O6 InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1 QGVLYPPODPLXMB-UBTYZVCOSA-N 364.433 364.18859 C=1[C@@]2([C@@]([C@]3([C@@](C(=O)C(=C3)C)(CC1CO)O)[H])([C@H](C)[C@H]([C@@]4([C@]2(C4(C)C)[H])O)O)O)[H] Beilstein:2341335 CAS:17673-25-5 KEGG:C09155 KNApSAcK:C00003465 LIPID_MAPS_instance:LMPR0104330001 PMID:27007853 (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one Phorbol chebi_ontology 4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on 4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one CHEBI:8116 phorbol Beilstein:2341335 Beilstein CAS:17673-25-5 ChemIDplus CAS:17673-25-5 KEGG COMPOUND LIPID_MAPS_instance:LMPR0104330001 LIPID MAPS PMID:27007853 Europe PMC (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one IUPAC Phorbol KEGG_COMPOUND 4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on ChemIDplus 4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one ChEBI Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain. -1 CO2R 44.010 43.98983 [O-]C([*])=O chebi_ontology monounsaturated fatty acid anions CHEBI:82680 monounsaturated fatty acid anion monounsaturated fatty acid anions ChEBI Any aldoxime derived from an aliphatic aldehyde. 0 CH2NOR 44.03270 44.01364 ON=C[*] MetaCyc:Aliphatic-Aldoximes chebi_ontology an aliphatic aldoxime CHEBI:82744 aliphatic aldoxime MetaCyc:Aliphatic-Aldoximes SUBMITTER an aliphatic aldoxime UniProt An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill. chebi_ontology crustacean metabolites CHEBI:83039 crustacean metabolite crustacean metabolites ChEBI A Daphnia metabolite produced by the species Daphnia magna. chebi_ontology Daphnia magna metabolites CHEBI:83056 Daphnia magna metabolite Daphnia magna metabolites ChEBI A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia Wikipedia:Daphnia chebi_ontology Daphnia metabolites CHEBI:83057 Daphnia metabolite Daphnia metabolites ChEBI An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid. 0 O3SR2 80.06300 79.95681 [*]S(=O)(=O)O[*] chebi_ontology organosulfonate ester organosulfonate esters organosulfonic esters CHEBI:83347 organosulfonic ester organosulfonate ester ChEBI organosulfonate esters ChEBI organosulfonic esters ChEBI Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. chebi_ontology marine xenobiotic metabolites CHEBI:83399 marine xenobiotic metabolite marine xenobiotic metabolites ChEBI An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens. chebi_ontology CHEBI:83565 (trifluoromethyl)benzenes Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom. chebi_ontology canonical amino acid derivative canonical amino acid derivatives canonical amino-acid derivative canonical amino-acid derivatives proteinogenic amino acid derivatives proteinogenic amino-acid derivative proteinogenic amino-acid derivatives CHEBI:83811 proteinogenic amino acid derivative canonical amino acid derivative ChEBI canonical amino acid derivatives ChEBI canonical amino-acid derivative ChEBI canonical amino-acid derivatives ChEBI proteinogenic amino acid derivatives ChEBI proteinogenic amino-acid derivative ChEBI proteinogenic amino-acid derivatives ChEBI Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration. Wikipedia:Proteinogenic_amino_acid chebi_ontology canonical amino acid canonical amino acids proteinogenic amino acids CHEBI:83813 proteinogenic amino acid canonical amino acid ChEBI canonical amino acids ChEBI proteinogenic amino acids ChEBI Any amino-acid that is not naturally encoded in the genetic code of any organism. Wikipedia:Non-proteinogenic_amino_acids chebi_ontology non-canonical amino acid non-canonical amino acids non-canonical amino-acid non-canonical amino-acids non-coded amino acid non-coded amino acids non-coded amino-acid non-coded amino-acids non-proteinogenic amino acids non-proteinogenic amino-acid non-proteinogenic amino-acids CHEBI:83820 non-proteinogenic amino acid non-canonical amino acid ChEBI non-canonical amino acids ChEBI non-canonical amino-acid ChEBI non-canonical amino-acids ChEBI non-coded amino acid ChEBI non-coded amino acids ChEBI non-coded amino-acid ChEBI non-coded amino-acids ChEBI non-proteinogenic amino acids ChEBI non-proteinogenic amino-acid ChEBI non-proteinogenic amino-acids ChEBI Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues. CHEBI:25359 chebi_ontology amino acid derivative amino acid derivatives amino-acid derivatives modified amino acids CHEBI:83821 amino-acid derivative amino acid derivative ChEBI amino acid derivatives ChEBI amino-acid derivatives ChEBI modified amino acids ChEBI A proteinogenic amino acid derivative resulting from the formal reaction of L-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of L-cysteine by a heteroatom. chebi_ontology L-cysteine derivatives CHEBI:83824 L-cysteine derivative L-cysteine derivatives ChEBI Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids. chebi_ontology non-proteinogenic alpha-amino acids non-proteinogenic alpha-amino-acid non-proteinogenic alpha-amino-acids CHEBI:83925 non-proteinogenic alpha-amino acid non-proteinogenic alpha-amino acids ChEBI non-proteinogenic alpha-amino-acid ChEBI non-proteinogenic alpha-amino-acids ChEBI Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles. Wikipedia:Cardiac_glycoside chebi_ontology cardiac glycosides CHEBI:83970 cardiac glycoside cardiac glycosides ChEBI Any phospho sugar that is the phosphate derivative of pentose. chebi_ontology pentose phosphates CHEBI:84055 pentose phosphate pentose phosphates ChEBI Any metabolite (endogenous or exogenous) found in human urine samples. chebi_ontology human urinary metabolites CHEBI:84087 human urinary metabolite human urinary metabolites ChEBI Any member of the class of indoles carrying at least one hydroxy group. chebi_ontology CHEBI:84729 hydroxyindoles Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. chebi_ontology algal metabolites CHEBI:84735 algal metabolite algal metabolites ChEBI Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin. PMID:21265866 PMID:22132817 PMID:22314516 PMID:23891889 PMID:23974587 PMID:25535470 PMID:25574195 PMID:25643794 Wikipedia:Skin_whitening chebi_ontology melanogenesis inhibitor melanogenesis inhibitors skin bleaching agent skin bleaching agents skin depigmenting agent skin depigmenting agents skin lightening agents skin whitening agent skin whitening agents CHEBI:85046 skin lightening agent PMID:21265866 Europe PMC PMID:22132817 Europe PMC PMID:22314516 Europe PMC PMID:23891889 Europe PMC PMID:23974587 Europe PMC PMID:25535470 Europe PMC PMID:25574195 Europe PMC PMID:25643794 Europe PMC melanogenesis inhibitor ChEBI melanogenesis inhibitors ChEBI skin bleaching agent ChEBI skin bleaching agents ChEBI skin depigmenting agent ChEBI skin depigmenting agents ChEBI skin lightening agents ChEBI skin whitening agent ChEBI skin whitening agents ChEBI Any metabolite (endogenous or exogenous) found in human blood serum samples. chebi_ontology human blood serum metabolites CHEBI:85234 human blood serum metabolite human blood serum metabolites ChEBI Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group. 0 CH3SR 47.101 46.99555 CS[*] CHEBI:25260 MetaCyc:Methyl-thioethers chebi_ontology a methyl thioether methyl sulfides methyl thioether methyl thioethers CHEBI:86315 methyl sulfide MetaCyc:Methyl-thioethers SUBMITTER a methyl thioether UniProt methyl sulfides ChEBI methyl thioether ChEBI methyl thioethers ChEBI An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. 0 C17H18F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 RTHCYVBBDHJXIQ-UHFFFAOYSA-N 309.32610 309.13405 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 LINCS:LSM-1449 VSDB:1851 N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology CHEBI:86990 N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]. 0 C17H18F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1 RTHCYVBBDHJXIQ-MRXNPFEDSA-N 309.32610 309.13405 CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 CAS:100568-03-4 PMID:19144769 PMID:19788198 PMID:20663810 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24464553 PMID:24997906 Reaxys:4356432 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (+)-fluoxetine (R)-(+)-fluoxetine (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine (R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine (R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine (R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine (R)-Prozac CHEBI:86991 (R)-fluoxetine CAS:100568-03-4 ChemIDplus PMID:19144769 Europe PMC PMID:19788198 Europe PMC PMID:20663810 Europe PMC PMID:22903652 Europe PMC PMID:22923967 Europe PMC PMID:23885544 Europe PMC PMID:24464553 Europe PMC PMID:24997906 Europe PMC Reaxys:4356432 Reaxys (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC (+)-fluoxetine ChEBI (R)-(+)-fluoxetine ChEBI (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChemIDplus (R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine ChEBI (R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine ChEBI (R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChEBI (R)-Prozac ChEBI An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]. 0 C17H18F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1 RTHCYVBBDHJXIQ-INIZCTEOSA-N 309.32610 309.13405 CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 PMID:19144769 PMID:19788198 PMID:20663810 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24464553 PMID:24997906 Reaxys:4356433 (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (-)-fluoxetine (S)-(-)-fluoxetine (S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine (S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine (S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine (S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine (S)-Prozac CHEBI:86992 (S)-fluoxetine PMID:19144769 Europe PMC PMID:19788198 Europe PMC PMID:20663810 Europe PMC PMID:22903652 Europe PMC PMID:22923967 Europe PMC PMID:23885544 Europe PMC PMID:24464553 Europe PMC PMID:24997906 Europe PMC Reaxys:4356433 Reaxys (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine IUPAC (-)-fluoxetine ChEBI (S)-(-)-fluoxetine ChEBI (S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChEBI (S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine ChEBI (S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine ChEBI (S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine ChEBI (S)-Prozac ChEBI An organic cation resulting from the protonation of the amino group of (R)-fluoxetine. +1 C17H19F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1 RTHCYVBBDHJXIQ-MRXNPFEDSA-O 310.33350 310.14133 C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Reaxys:25263171 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium chebi_ontology (+)-fluoxetine(1+) CHEBI:86993 (R)-fluoxetine(1+) Reaxys:25263171 Reaxys (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium IUPAC (+)-fluoxetine(1+) ChEBI An organic cation resulting from the protonation of the amino group of (S)-fluoxetine. +1 C17H19F3NO InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1 RTHCYVBBDHJXIQ-INIZCTEOSA-O 310.33350 310.14133 C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Reaxys:25263174 (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium chebi_ontology (-)-fluoxetine(1+) CHEBI:86995 (S)-fluoxetine(1+) Reaxys:25263174 Reaxys (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium IUPAC (-)-fluoxetine(1+) ChEBI Any metal which causes the onset of an allergic reaction. chebi_ontology allergenic metal allergenic metals metal allergens CHEBI:88184 metal allergen allergenic metal ChEBI allergenic metals ChEBI metal allergens ChEBI Any drug which causes the onset of an allergic reaction. chebi_ontology allergenic drug CHEBI:88188 drug allergen allergenic drug ChEBI Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). PMID:24830781 PMID:25727221 PMID:25793774 PMID:25896709 Wikipedia:Autophagy chebi_ontology autophagocytosis inhibitor autophagocytosis inhibitors autophagy inhibitors CHEBI:88230 autophagy inhibitor PMID:24830781 Europe PMC PMID:25727221 Europe PMC PMID:25793774 Europe PMC PMID:25896709 Europe PMC autophagocytosis inhibitor ChEBI autophagocytosis inhibitors ChEBI autophagy inhibitors ChEBI A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors. CHEBI:189678 Wikipedia:Receptor_modulator chebi_ontology receptor modulators CHEBI:90710 receptor modulator receptor modulators ChEBI An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent. 0 C6H9NO3 InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3 IRYJRGCIQBGHIV-UHFFFAOYSA-N 143.142 143.05824 CN1C(=O)OC(C)(C)C1=O CHEBI:94526 CAS:127-48-0 DrugBank:DB00347 Drug_Central:2751 HMDB:HMDB0014491 KEGG:D00392 LINCS:LSM-5345 PMID:10634315 PMID:11057156 PMID:11722678 PMID:13590839 PMID:13649111 PMID:15282739 PMID:15653505 PMID:16171802 PMID:18248662 PMID:18862627 PMID:18876072 PMID:21638752 PMID:2210093 PMID:23017458 PMID:23321016 PMID:30605901 PMID:7653500 PMID:8791774 PMID:8865369 PMID:9375358 PMID:9827046 Reaxys:121627 Wikipedia:Trimethadione 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione chebi_ontology 3,5,5-trimethyl-2,4-oxazolidinedione Absentol Absetil Convenixa Edion Epidione Epixal Petidion Petilep Petimalin Ptimal Tridione Tridione Dulcet trimetadiona trimetadione trimethadione trimethadionum CHEBI:9727 trimethadione CAS:127-48-0 ChemIDplus CAS:127-48-0 NIST Chemistry WebBook Drug_Central:2751 DrugCentral PMID:10634315 Europe PMC PMID:11057156 Europe PMC PMID:11722678 Europe PMC PMID:13590839 Europe PMC PMID:13649111 Europe PMC PMID:15282739 Europe PMC PMID:15653505 Europe PMC PMID:16171802 Europe PMC PMID:18248662 Europe PMC PMID:18862627 Europe PMC PMID:18876072 Europe PMC PMID:21638752 Europe PMC PMID:2210093 Europe PMC PMID:23017458 Europe PMC PMID:23321016 Europe PMC PMID:30605901 Europe PMC PMID:7653500 Europe PMC PMID:8791774 Europe PMC PMID:8865369 Europe PMC PMID:9375358 Europe PMC PMID:9827046 Europe PMC Reaxys:121627 Reaxys 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione IUPAC 3,5,5-trimethyl-2,4-oxazolidinedione ChemIDplus Absentol ChemIDplus Absetil ChemIDplus Convenixa ChemIDplus Edion ChemIDplus Epidione ChemIDplus Epixal ChemIDplus Petidion ChemIDplus Petilep ChemIDplus Petimalin ChemIDplus Ptimal ChemIDplus Tridione KEGG_DRUG Tridione Dulcet ChemIDplus trimetadiona WHO_MedNet trimetadione DrugCentral trimethadione WHO_MedNet trimethadionum WHO_MedNet A material entity of anatomical origin (part of or deriving from an organism) that has as its parts a maximally connected cell compartment surrounded by a plasma membrane. CL and GO definitions of cell differ based on inclusive or exclusive of cell wall, etc. We struggled with this definition. We are worried about circularity. We also considered requiring the capability of metabolism. CALOHA:TS-2035 FBbt:00007002 FMA:68646 GO:0005623 KUPO:0000002 MESH:D002477 VHOG:0001533 WBbt:0004017 XAO:0003012 ZFA:0009000 The definition of cell is intended to represent all cells, and thus a cell is defined as a material entity and not an anatomical structure, which implies that it is part of an organism (or the entirety of one). cell A material entity of anatomical origin (part of or deriving from an organism) that has as its parts a maximally connected cell compartment surrounded by a plasma membrane. CARO:mah FBbt:00007002 ZFA:0009000 A cell found in the embryo before the formation of all the gem layers is complete. ZFA:0009002 early embryonic cell (metazoa) A cell found in the embryo before the formation of all the gem layers is complete. GOC:tfm ZFA:0009002 Female germ cell is a germ cell that supports female gamete production. MA:0000388 VHOG:0001530 ncithesaurus:Egg female germ cell true Female germ cell is a germ cell that supports female gamete production. GOC:tfm PMID:11023867 PMID:20454446 A female germ cell that has entered meiosis. BTO:0000964 CALOHA:TS-0711 FBbt:00004886 FMA:18644 MESH:D009865 WBbt:0006797 ZFA:0001109 oogonium oocyte true A female germ cell that has entered meiosis. GOC:tfm ISBN:0721662544 FBbt:00004886 ZFA:0001109 An undifferentiated germ cell that proliferates rapidly and gives rise to oocytes. FMA:83673 ZFA:0005878 oogonial cell true An undifferentiated germ cell that proliferates rapidly and gives rise to oocytes. GOC:tfm ISBN:0721662544 ZFA:0005878 A female gamete where meiosis has progressed to metaphase II and is able to participate in fertilization. BTO:0000369 BTO:0003801 CALOHA:TS-2191 FBbt:00057012 FMA:67343 MESH:D010063 ZFA:0001570 mature oocyte ovum egg cell https://www.swissbiopics.org/api/image/Egg_cell.svg true A female gamete where meiosis has progressed to metaphase II and is able to participate in fertilization. GOC:tfm ISBN:0721662544 FBbt:00057012 ZFA:0001570 A cell that is within the developmental lineage of gametes and is able to pass along its genetic material to offspring. ZFA:0009016 Originally this term had some plant germ line cell children. germ line cell A cell that is within the developmental lineage of gametes and is able to pass along its genetic material to offspring. GOC:tfm ISBN:0721662544 ZFA:0009016 A cell that has a filiform extrusion of the cell surface. VHOG:0001532 XAO:0000031 ZFA:0009032 ciliated cell A cell that has a filiform extrusion of the cell surface. GOC:tfm ZFA:0009032 A cell that is usually found in a two-dimensional sheet with a free surface. The cell has a cytoskeleton that allows for tight cell to cell contact and for cell polarity where apical part is directed towards the lumen and the basal part to the basal lamina. BTO:0000414 CALOHA:TS-2026 CARO:0000077 FBbt:00000124 FMA:66768 WBbt:0003672 ZFA:0009034 epitheliocyte epithelial cell https://www.swissbiopics.org/api/image/Epithelial_cells.svg A cell that is usually found in a two-dimensional sheet with a free surface. The cell has a cytoskeleton that allows for tight cell to cell contact and for cell polarity where apical part is directed towards the lumen and the basal part to the basal lamina. FB:ma GOC:tfm MESH:D004847 FBbt:00000124 ZFA:0009034 An epithelial cell that has a cilia. FMA:70605 ZFA:0009035 ciliated epithelial cell An epithelial cell that has a cilia. GOC:tfm ZFA:0009035 A columnar/cuboidal epithelial cell is a cell usually found in a two dimensional sheet with a free surface. Columnar/cuboidal epithelial cells take on the shape of a column or cube. ZFA:0009038 columnar/cuboidal epithelial cell A columnar/cuboidal epithelial cell is a cell usually found in a two dimensional sheet with a free surface. Columnar/cuboidal epithelial cells take on the shape of a column or cube. GO:0002065 https://orcid.org/0000-0001-5208-3432 ZFA:0009038 Any epithelial cell that is part of some squamous epithelium. CALOHA:TS-1249 ZFA:0009039 squamous epithelial cell Any epithelial cell that is part of some squamous epithelium. FBC:Autogenerated ZFA:0009039 Obsoleted as there is no need for a term specific for nematods and protostomes. obsolete germ line stem cell (sensu Nematoda and Protostomia) true A cell that specializes in controlled release of one or more substances. BTO:0003659 FMA:86916 secretory cell A cell that specializes in controlled release of one or more substances. GOC:tfm ISBN:0721662544 Any secretory cell that is capable of some protein secretion. protein secreting cell Any secretory cell that is capable of some protein secretion. FBC:Autogenerated A cell whose function is determined by the generation or the reception of an electric signal. ZFA:0009128 electrically active cell A cell whose function is determined by the generation or the reception of an electric signal. FB:ma ZFA:0009128 A cell that moves by its own activities. ZFA:0009136 motile cell A cell that moves by its own activities. FB:ma ZFA:0009136 A cell with more than one nucleus. multinucleated cells polynuclear cells multinucleate cell A cell with more than one nucleus. FB:ma Wikipedia:Multinucleate multinucleated cells Wikipedia:Multinucleate polynuclear cells Wikipedia:Multinucleate Any cell that in taxon some Eukaryota. MESH:D005057 eukaryotic cell Any cell that in taxon some Eukaryota. FBC:Autogenerated A mature sexual reproductive cell having a single set of unpaired chromosomes. Gametes are reproductive cells essential for sexual reproduction in eukaryotic organisms, including humans, animals, and many plants. These cells are haploid, containing half the genome or only one set of chromosomes, which is a contrast to the diploid state (two sets of chromosomes) found in most cells in a multicellular organism. This reduction in genetic material is crucial since it allows for the re-establishment of the diploid number of chromosomes when two gametes merge to form a diploid zygote during fertilization. There are two major types of gametes in animals: sperm cells in males and egg (or ova) in females. These gametes contribute equally to the genetic makeup of the offspring but are morphologically and functionally distinct. Sperm cells (or spermatozoa) are characterized by their motility, small size, and large quantities; they are produced continuously in vast numbers through a process called spermatogenesis in the male gonads or testes. Female gametes are much larger, fewer in numbers, and are not motile; they undergo a development process known as oogenesis, which takes place within the ovaries. The egg also contributes most of the cytoplasm and organelles (including mitochondria) to the zygote that are required for initial cell division stages after fertilization. Gametes have a primary role in sexual reproduction and genetic variation, which aids in evolution. The formation of gametes involves a special type of cell division called meiosis that introduces genetic diversity via the process of recombination and independent assortment. Following the fusion of male and female gametes, the combination of paternal and maternal genetic material in the zygote allows for genetic recombination, which is a fundamental source of genetic variation and, thus, evolution. Therefore, gametes not only are critical to the inception of new individuals but also contribute to species survival and evolution. (This extended description was generated by ChatGPT and reviewed by the CellGuide team, who added references, and by the CL editors, who approved it for inclusion in CL. It may contain information that applies only to some subtypes and species, and so should not be considered definitional.) CALOHA:TS-0395 FBbt:00005412 FMA:18649 ZFA:0009156 https://cellxgene.cziscience.com/cellguide/CL_0000300 haploid nucleated cell haploid germ cell gamete true A mature sexual reproductive cell having a single set of unpaired chromosomes. GOC:tfm ISBN:0721662544 Gametes are reproductive cells essential for sexual reproduction in eukaryotic organisms, including humans, animals, and many plants. These cells are haploid, containing half the genome or only one set of chromosomes, which is a contrast to the diploid state (two sets of chromosomes) found in most cells in a multicellular organism. This reduction in genetic material is crucial since it allows for the re-establishment of the diploid number of chromosomes when two gametes merge to form a diploid zygote during fertilization. There are two major types of gametes in animals: sperm cells in males and egg (or ova) in females. These gametes contribute equally to the genetic makeup of the offspring but are morphologically and functionally distinct. Sperm cells (or spermatozoa) are characterized by their motility, small size, and large quantities; they are produced continuously in vast numbers through a process called spermatogenesis in the male gonads or testes. Female gametes are much larger, fewer in numbers, and are not motile; they undergo a development process known as oogenesis, which takes place within the ovaries. The egg also contributes most of the cytoplasm and organelles (including mitochondria) to the zygote that are required for initial cell division stages after fertilization. Gametes have a primary role in sexual reproduction and genetic variation, which aids in evolution. The formation of gametes involves a special type of cell division called meiosis that introduces genetic diversity via the process of recombination and independent assortment. Following the fusion of male and female gametes, the combination of paternal and maternal genetic material in the zygote allows for genetic recombination, which is a fundamental source of genetic variation and, thus, evolution. Therefore, gametes not only are critical to the inception of new individuals but also contribute to species survival and evolution. (This extended description was generated by ChatGPT and reviewed by the CellGuide team, who added references, and by the CL editors, who approved it for inclusion in CL. It may contain information that applies only to some subtypes and species, and so should not be considered definitional.) DOI:10.1038/s41586-020-2347-0 DOI:10.3389/fcell.2022.1040708 https://www.ncbi.nlm.nih.gov/books/NBK10008/ https://www.ncbi.nlm.nih.gov/books/NBK553142/ FBbt:00005412 ZFA:0009156 Diploid cell produced by the fusion of sperm cell nucleus and egg cell. zygote BTO:0000854 EHDAA2:0004546 FMA:72395 animal zygote Diploid cell produced by the fusion of sperm cell nucleus and egg cell. ISBN:0471245208 A cell whose function is determined by its response to an electric signal. ZFA:0009190 electrically responsive cell A cell whose function is determined by its response to an electric signal. FB:ma ZFA:0009190 A cell that initiates an electrical signal and passes that signal to another cell. ZFA:0009193 electrically signaling cell A cell that initiates an electrical signal and passes that signal to another cell. FB:ma ZFA:0009193 An epithelial cell of the hypodermis of Caenorhabditis. roundworm hypodermal cell WBbt:0007846 ZFA:0009196 This term was originally added to CL for parity with the Worm anatomy ontology, which is dedicated to C elegans. It is not clear if it makes sense to try and generalize the concept and include in CL, and this term may be obsoleted in future. Note there is no similarity to the hypodermis in vertebrates. Caenorhabditis hypodermal cell An epithelial cell of the hypodermis of Caenorhabditis. GOC:tfm http://www.wormatlas.org/hermaphrodite/hypodermis/mainframe.htm ZFA:0009196 A cell whose nucleus contains a single haploid genome. haploid cell A cell whose nucleus contains a single haploid genome. FB:ma GOC:tfm true The basic cellular unit of nervous tissue. Each neuron consists of a body, an axon, and dendrites. Their purpose is to receive, conduct, and transmit impulses in the nervous system. BTO:0000938 CALOHA:TS-0683 FBbt:00005106 FMA:54527 VHOG:0001483 WBbt:0003679 ZFA:0009248 nerve cell These cells are also reportedly CD4-negative and CD200-positive. They are also capable of producing CD40L and IFN-gamma. neuron https://www.swissbiopics.org/api/image/Neuron_cells.svg The basic cellular unit of nervous tissue. Each neuron consists of a body, an axon, and dendrites. Their purpose is to receive, conduct, and transmit impulses in the nervous system. MESH:D009474 http://en.wikipedia.org/wiki/Neuron FBbt:00005106 ZFA:0009248 The reproductive cell in multicellular organisms. BTO:0000535 NCIT:C12597 VHOG:0001534 WBbt:0006796 germ cell true The reproductive cell in multicellular organisms. MESH:D005854 sheath cell A primordial germ cell is a diploid germ cell precursors that transiently exist in the embryo before they enter into close association with the somatic cells of the gonad and become irreversibly committed as germ cells. FMA:70567 ZFA:0009288 gonocyte primitive germ cell primordial germ cell true true A primordial germ cell is a diploid germ cell precursors that transiently exist in the embryo before they enter into close association with the somatic cells of the gonad and become irreversibly committed as germ cells. GOC:tfm PMID:1381289 ZFA:0009288 A mature sexual reproductive cell of the female germline. female gamete true A mature sexual reproductive cell of the female germline. GOC:tfm A cell found in an organism or derived from an organism exhibiting a phenotype that deviates from the expected phenotype of any native cell type of that organism. Abnormal cells are typically found in disease states or disease models. 2017-01-30T18:53:32Z https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&code=C12913 https://github.com/obophenotype/cell-ontology/issues/448 abnormal cell A cell found in an organism or derived from an organism exhibiting a phenotype that deviates from the expected phenotype of any native cell type of that organism. Abnormal cells are typically found in disease states or disease models. GOC:add GOC:cg GOC:wdd A cell containing at least one nucleus. 2010-09-07T03:32:33Z FMA:67513 nucleate cell A cell containing at least one nucleus. GOC:tfm A cell that is part of the nervous system. 2010-09-15T01:34:57Z CALOHA:TS-2040 FMA:70333 neural cell A cell that is part of the nervous system. GOC:tfm ISBN:0618947256 A cell of the embryo. Embryonic cells in metazoans, which include all multicellular animals, are biological units in their earliest developmental stages from conception until the organism is fully formed. They are derived from a fertilized egg, which undergoes a series of cell divisions to produce a multicellular organism. During the early phases of embryonic development, these cells exhibit pluripotency, meaning they possess the potential to differentiate into a diverse array of specialized cell types that constitute different body tissues and structures. The balance between cell proliferation and differentiation in embryonic cells is crucial for successful development. When cells continue to divide without differentiating, overgrowth may occur leading to conditions such as teratomas (tumors of embryonic cells). Conversely, if cell differentiation proceeds at the expense of cell proliferation, developmental anomalies could occur regarding size or mass of the organism or its parts. (This extended description was generated by ChatGPT and reviewed by the CellGuide team, who added references, and by the CL editors, who approved it for inclusion in CL. It may contain information that applies only to some subtypes and species, and so should not be considered definitional.) 2010-09-15T03:39:21Z CALOHA:TS-0263 FMA:82840 WBbt:0007028 ZFA:0007089 https://cellxgene.cziscience.com/cellguide/CL_0002321 embryonic cell (metazoa) A cell of the embryo. FMA:0618947256 Embryonic cells in metazoans, which include all multicellular animals, are biological units in their earliest developmental stages from conception until the organism is fully formed. They are derived from a fertilized egg, which undergoes a series of cell divisions to produce a multicellular organism. During the early phases of embryonic development, these cells exhibit pluripotency, meaning they possess the potential to differentiate into a diverse array of specialized cell types that constitute different body tissues and structures. The balance between cell proliferation and differentiation in embryonic cells is crucial for successful development. When cells continue to divide without differentiating, overgrowth may occur leading to conditions such as teratomas (tumors of embryonic cells). Conversely, if cell differentiation proceeds at the expense of cell proliferation, developmental anomalies could occur regarding size or mass of the organism or its parts. (This extended description was generated by ChatGPT and reviewed by the CellGuide team, who added references, and by the CL editors, who approved it for inclusion in CL. It may contain information that applies only to some subtypes and species, and so should not be considered definitional.) DOI:10.1002/iub.1404 DOI:10.1093/molehr/gan048 https://www.ncbi.nlm.nih.gov/books/NBK9906/ ZFA:0007089 OBSOLETE. A cell of an organism that does not pass on its genetic material to the organism's offspring (i.e. a non-germ line cell). Somatic cells represent the majority of the cell types in the human body. They are fundamental building blocks of organs, tissues, and other bodily structures, with every organ being composed of distinct subpopulations of these cells. The primary function of somatic cells is to maintain the function and survival of an organism. They carry significant information in the form of DNA, and through the process of mitosis, contribute to the repair and regeneration of body tissues. Further, some types of somatic cells work in a collaborative manner to form complex functional structures such as the skin and lining of the gut, demonstrating a higher level of organization. However, it's important to note that somatic cells are distinct from germ cells, which are responsible for sexual reproduction by forming sperm or eggs. Any alterations in the DNA of somatic cells, due to mutations, will not affect the offspring as they aren't involved in transmission of genetic information to the next generation. While most somatic cells contain two copies of each chromosome (diploid), a certain subset may possess a single set of chromosomes (haploid), specifically found in male ants, bees, and other hymenopterans. Hence, diversity is a defining characteristic of somatic cells, reflecting in their structures, roles, and genetic makeup. (This extended description was generated by ChatGPT and reviewed by the CellGuide team, who added references, and by the CL editors, who approved it for inclusion in CL. It may contain information that applies only to some subtypes and species, and so should not be considered definitional.) 2010-09-24T09:44:42Z BTO:0001268 FMA:72300 WBbt:0008378 https://cellxgene.cziscience.com/cellguide/CL_0002371 obsolete somatic cell true OBSOLETE. A cell of an organism that does not pass on its genetic material to the organism's offspring (i.e. a non-germ line cell). GOC:tfm ISBN:0721662544 Somatic cells represent the majority of the cell types in the human body. They are fundamental building blocks of organs, tissues, and other bodily structures, with every organ being composed of distinct subpopulations of these cells. The primary function of somatic cells is to maintain the function and survival of an organism. They carry significant information in the form of DNA, and through the process of mitosis, contribute to the repair and regeneration of body tissues. Further, some types of somatic cells work in a collaborative manner to form complex functional structures such as the skin and lining of the gut, demonstrating a higher level of organization. However, it's important to note that somatic cells are distinct from germ cells, which are responsible for sexual reproduction by forming sperm or eggs. Any alterations in the DNA of somatic cells, due to mutations, will not affect the offspring as they aren't involved in transmission of genetic information to the next generation. While most somatic cells contain two copies of each chromosome (diploid), a certain subset may possess a single set of chromosomes (haploid), specifically found in male ants, bees, and other hymenopterans. Hence, diversity is a defining characteristic of somatic cells, reflecting in their structures, roles, and genetic makeup. (This extended description was generated by ChatGPT and reviewed by the CellGuide team, who added references, and by the CL editors, who approved it for inclusion in CL. It may contain information that applies only to some subtypes and species, and so should not be considered definitional.) DOI:10.1038/nrm3980 https://www.genome.gov/genetics-glossary/Somatic-Cells https://www.ncbi.nlm.nih.gov/books/NBK557896/ A zygote in a plant or an animal. MESH:D015053 zygote A cell that, by division or terminal differentiation, can give rise to other cell types. Work is needed on GO 'cell differentiation' before it is clear whether the equivalent class definition 'native cell' that capable_of some 'cell differentiation' works. Also, may want to consider merging this with non-terminally differentiated cell. precursor cell A cell that, by division or terminal differentiation, can give rise to other cell types. GOC:dos Any secretory cell that is part of some lung. lung secretory cell Any secretory cell that is part of some lung. FBC:Autogenerated An epithelial cell that is specialised for the synthesis and secretion of specific biomolecules. 2024-07-21T09:24:44Z secretory epithelial cell An epithelial cell that is specialised for the synthesis and secretion of specific biomolecules. The maintenance of the structure and integrity of the mitochondrial genome; includes replication and segregation of the mitochondrial chromosome. biological_process GO:0000002 mitochondrial genome maintenance The maintenance of the structure and integrity of the mitochondrial genome; includes replication and segregation of the mitochondrial chromosome. GOC:ai GOC:vw Any process that modulates the frequency, rate or extent of DNA recombination, a DNA metabolic process in which a new genotype is formed by reassortment of genes resulting in gene combinations different from those that were present in the parents. biological_process GO:0000018 regulation of DNA recombination Any process that modulates the frequency, rate or extent of DNA recombination, a DNA metabolic process in which a new genotype is formed by reassortment of genes resulting in gene combinations different from those that were present in the parents. GOC:go_curators ISBN:0198506732 The cell cycle process in which the distance is lengthened between poles of the mitotic spindle. Mitotic spindle elongation begins during mitotic prophase and ends during mitotic anaphase B. pr 2016-04-08T15:06:14Z GO:1905121 spindle elongation during mitosis biological_process microtubule sliding involved in mitotic spindle elongation GO:0000022 mitotic spindle elongation The cell cycle process in which the distance is lengthened between poles of the mitotic spindle. Mitotic spindle elongation begins during mitotic prophase and ends during mitotic anaphase B. GOC:mtg_cell_cycle GOC:vw PMID:19686686 The formation of a double membrane-bounded structure, the autophagosome, that occurs when a specialized membrane sac, called the isolation membrane, starts to enclose a portion of the cytoplasm. autophagic vacuole assembly autophagosome biosynthesis autophagosome formation PAS formation biological_process autophagic vacuole formation GO:0000045 autophagosome assembly The formation of a double membrane-bounded structure, the autophagosome, that occurs when a specialized membrane sac, called the isolation membrane, starts to enclose a portion of the cytoplasm. GOC:autophagy PMID:9412464 autophagic vacuole assembly GOC:autophagy autophagic vacuole formation GOC:mah The cell cycle process in which replicated homologous chromosomes are organized and then physically separated and apportioned to two sets during the mitotic cell cycle. Each replicated chromosome, composed of two sister chromatids, aligns at the cell equator, paired with its homologous partner. One homolog of each morphologic type goes into each of the resulting chromosome sets. GO:0016359 Reactome:R-HSA-2500257 mitotic chromosome segregation mitotic sister-chromatid adhesion release biological_process GO:0000070 mitotic sister chromatid segregation The cell cycle process in which replicated homologous chromosomes are organized and then physically separated and apportioned to two sets during the mitotic cell cycle. Each replicated chromosome, composed of two sister chromatids, aligns at the cell equator, paired with its homologous partner. One homolog of each morphologic type goes into each of the resulting chromosome sets. GOC:ai GOC:jl Reactome:R-HSA-2500257 Resolution of Sister Chromatid Cohesion A signaling process that controls cell cycle progression by monitoring the integrity of specific cell cycle events. A cell cycle checkpoint begins with detection of deficiencies or defects and ends with signal transduction. https://github.com/geneontology/go-ontology/issues/20935 GO:0031576 GO:0071779 GO:0072395 GO:0072404 GO:0072407 Reactome:R-HSA-69620 Wikipedia:Cell_cycle_checkpoint cell cycle checkpoint signal transduction involved in G2/M transition checkpoint signal transduction involved in cell cycle checkpoint G1/S checkpoint G1/S transition checkpoint G2/M checkpoint G2/M transition checkpoint biological_process GO:0000075 This term should not be used in direct manual annotation as it should always be possible to minimally designate mitotic or meiotic checkpoint, and usually to additionally specify the checkpoint (i.e mitotic spindle assembly checkpoint, mitotic DNA damage checkpoint etc). Note also that the effector processes are not part of the checkpoint but are positively regulated by the checkpoint signaling and should not be annotated here. cell cycle checkpoint signaling A signaling process that controls cell cycle progression by monitoring the integrity of specific cell cycle events. A cell cycle checkpoint begins with detection of deficiencies or defects and ends with signal transduction. GOC:mtg_cell_cycle Reactome:R-HSA-69620 Cell Cycle Checkpoints A signal transduction process that contributes to a DNA damage checkpoint. mah 2010-12-08T04:18:11Z GO:0072422 Wikipedia:DNA_damage_checkpoint Wikipedia:Postreplication_checkpoint DNA damage checkpoint signal transduction involved in DNA damage checkpoint DNA damage response, signal transduction resulting in cell cycle arrest biological_process GO:0000077 DNA damage checkpoint signaling A signal transduction process that contributes to a DNA damage checkpoint. GOC:mah The mitotic cell cycle transition by which a cell in G1 commits to S phase. The process begins with the build up of G1 cyclin-dependent kinase (G1 CDK), resulting in the activation of transcription of G1 cyclins. The process ends with the positive feedback of the G1 cyclins on the G1 CDK which commits the cell to S phase, in which DNA replication is initiated. Reactome:R-HSA-69206 biological_process GO:0000082 G1/S transition of mitotic cell cycle The mitotic cell cycle transition by which a cell in G1 commits to S phase. The process begins with the build up of G1 cyclin-dependent kinase (G1 CDK), resulting in the activation of transcription of G1 cyclins. The process ends with the positive feedback of the G1 cyclins on the G1 CDK which commits the cell to S phase, in which DNA replication is initiated. GOC:mtg_cell_cycle Reactome:R-HSA-69206 G1/S Transition The cell cycle phase, following G1, during which DNA synthesis takes place as part of a mitotic cell cycle. S phase of mitotic cell cycle S-phase of mitotic cell cycle biological_process GO:0000084 Note that this term should not be used for direct annotation. If you are trying to make an annotation to x phase, it is likely that the correct annotation is 'regulation of x/y phase transition' or to a process which occurs during the reported phase (i.e mitotic DNA replication for mitotic S-phase). To capture the phase when a specific location or process is observed, the phase term can be used in an annotation extension (PMID:24885854) applied to a cellular component term (with the relation exists_during) or a biological process term (with the relation happens_during). mitotic S phase The cell cycle phase, following G1, during which DNA synthesis takes place as part of a mitotic cell cycle. GOC:mtg_cell_cycle The mitotic cell cycle transition by which a cell in G2 commits to M phase. The process begins when the kinase activity of M cyclin/CDK complex reaches a threshold high enough for the cell cycle to proceed. This is accomplished by activating a positive feedback loop that results in the accumulation of unphosphorylated and active M cyclin/CDK complex. Reactome:R-HSA-69275 mitotic G2/M transition biological_process GO:0000086 G2/M transition of mitotic cell cycle The mitotic cell cycle transition by which a cell in G2 commits to M phase. The process begins when the kinase activity of M cyclin/CDK complex reaches a threshold high enough for the cell cycle to proceed. This is accomplished by activating a positive feedback loop that results in the accumulation of unphosphorylated and active M cyclin/CDK complex. GOC:mtg_cell_cycle Reactome:R-HSA-69275 G2/M Transition A cell cycle phase during which nuclear division occurs, and which is comprises the phases: prophase, metaphase, anaphase and telophase and occurs as part of a mitotic cell cycle. Reactome:R-HSA-68886 M phase of mitotic cell cycle M-phase of mitotic cell cycle biological_process GO:0000087 Note that this term should not be used for direct annotation. If you are trying to make an annotation to x phase, it is likely that the correct annotation is 'regulation of x/y phase transition' or to a process which occurs during the reported phase (i.e mitotic DNA replication for mitotic S-phase). To capture the phase when a specific location or process is observed, the phase term can be used in an annotation extension (PMID:24885854) applied to a cellular component term (with the relation exists_during) or a biological process term (with the relation happens_during). mitotic M phase A cell cycle phase during which nuclear division occurs, and which is comprises the phases: prophase, metaphase, anaphase and telophase and occurs as part of a mitotic cell cycle. GOC:mtg_cell_cycle Reactome:R-HSA-68886 M Phase A cell cycle process that sets the alignment of mitotic spindle relative to other cellular structures. GO:0030607 GO:0030609 establishment of spindle orientation involved in mitotic cell cycle mitotic spindle orientation orienting of mitotic spindle biological_process establishment of spindle orientation during mitosis GO:0000132 establishment of mitotic spindle orientation A cell cycle process that sets the alignment of mitotic spindle relative to other cellular structures. GOC:ems establishment of spindle orientation involved in mitotic cell cycle GOC:dph GOC:tb establishment of spindle orientation during mitosis GOC:dph GOC:tb The nonsense-mediated decay pathway for nuclear-transcribed mRNAs degrades mRNAs in which an amino-acid codon has changed to a nonsense codon; this prevents the translation of such mRNAs into truncated, and potentially harmful, proteins. Reactome:R-HSA-927802 Wikipedia:Nonsense-mediated_decay Wikipedia:Nonsense-mediated_mRNA_decay mRNA breakdown, nonsense-mediated decay mRNA catabolic process, nonsense-mediated mRNA catabolism, nonsense-mediated mRNA degradation, nonsense-mediated decay nonsense-mediated mRNA decay nuclear mRNA catabolic process, nonsense-mediated decay biological_process GO:0000184 nuclear-transcribed mRNA catabolic process, nonsense-mediated decay The nonsense-mediated decay pathway for nuclear-transcribed mRNAs degrades mRNAs in which an amino-acid codon has changed to a nonsense codon; this prevents the translation of such mRNAs into truncated, and potentially harmful, proteins. GOC:krc GOC:ma PMID:10025395 Reactome:R-HSA-927802 Nonsense-Mediated Decay (NMD) A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the microtubule spindle during a meiotic cell cycle. GO:0043147 meiotic spindle organisation spindle organization during meiosis biological_process meiotic spindle organization and biogenesis meiotic spindle stabilization GO:0000212 meiotic spindle organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the microtubule spindle during a meiotic cell cycle. GOC:go_curators GOC:mah spindle organization during meiosis GOC:mah meiotic spindle organization and biogenesis GOC:mah A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of cytoskeletal structures comprising microtubules and their associated proteins. https://github.com/geneontology/go-ontology/issues/23114 https://github.com/geneontology/go-ontology/issues/23195 microtubule cytoskeleton organisation biological_process microtubule cytoskeleton organization and biogenesis GO:0000226 microtubule cytoskeleton organization A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of cytoskeletal structures comprising microtubules and their associated proteins. GOC:mah microtubule cytoskeleton organisation GOC:mah microtubule cytoskeleton organization and biogenesis GOC:mah A chromosome that encodes the nuclear genome and is found in the nucleus of a eukaryotic cell during the cell cycle phases when the nucleus is intact. nuclear interphase chromosome cellular_component GO:0000228 nuclear chromosome A chromosome that encodes the nuclear genome and is found in the nucleus of a eukaryotic cell during the cell cycle phases when the nucleus is intact. GOC:dph GOC:mah Any of the spindle microtubules that radiate in all directions from the spindle poles and are thought to contribute to the forces that separate the poles and position them in relation to the rest of the cell. cellular_component GO:0000235 astral microtubule Any of the spindle microtubules that radiate in all directions from the spindle poles and are thought to contribute to the forces that separate the poles and position them in relation to the rest of the cell. ISBN:0815316194 A chromosome found in the mitochondrion of a eukaryotic cell. NIF_Subcellular:sao1186327184 mitochondrial DNA mtDNA cellular_component mitochondrial genome GO:0000262 mitochondrial chromosome A chromosome found in the mitochondrion of a eukaryotic cell. GOC:mah Progression through the phases of the mitotic cell cycle, the most common eukaryotic cell cycle, which canonically comprises four successive phases called G1, S, G2, and M and includes replication of the genome and the subsequent segregation of chromosomes into daughter cells. In some variant cell cycles nuclear replication or nuclear division may not be followed by cell division, or G1 and G2 phases may be absent. GO:0007067 Reactome:R-HSA-69278 Wikipedia:Mitosis biological_process mitosis GO:0000278 Note that this term should not be confused with 'GO:0140014 ; mitotic nuclear division'. 'GO:0000278 ; mitotic cell cycle represents the entire mitotic cell cycle, while 'GO:0140014 ; mitotic nuclear division' specifically represents the actual nuclear division step of the mitotic cell cycle. mitotic cell cycle Progression through the phases of the mitotic cell cycle, the most common eukaryotic cell cycle, which canonically comprises four successive phases called G1, S, G2, and M and includes replication of the genome and the subsequent segregation of chromosomes into daughter cells. In some variant cell cycles nuclear replication or nuclear division may not be followed by cell division, or G1 and G2 phases may be absent. GOC:mah ISBN:0815316194 Reactome:R-HSA-69278 Cell Cycle, Mitotic A cell cycle phase during which nuclear division occurs, and which is comprises the phases: prophase, metaphase, anaphase and telophase. Wikipedia:M_phase M-phase biological_process GO:0000279 Note that this term should not be used for direct annotation. If you are trying to make an annotation to x phase, it is likely that the correct annotation is 'regulation of x/y phase transition' or to a process which occurs during the reported phase (i.e mitotic DNA replication for mitotic S-phase). To capture the phase when a specific location or process is observed, the phase term can be used in an annotation extension (PMID:24885854) applied to a cellular component term (with the relation exists_during) or a biological process term (with the relation happens_during). M phase A cell cycle phase during which nuclear division occurs, and which is comprises the phases: prophase, metaphase, anaphase and telophase. GOC:mtg_cell_cycle The division of a cell nucleus into two nuclei, with DNA and other nuclear contents distributed between the daughter nuclei. biological_process karyokinesis GO:0000280 nuclear division The division of a cell nucleus into two nuclei, with DNA and other nuclear contents distributed between the daughter nuclei. GOC:mah A cell cycle process that results in the division of the cytoplasm of a cell after mitosis, resulting in the separation of the original cell into two daughter cells. Reactome:R-HSA-68884 cytokinesis after mitosis biological_process GO:0000281 mitotic cytokinesis A cell cycle process that results in the division of the cytoplasm of a cell after mitosis, resulting in the separation of the original cell into two daughter cells. GOC:mtg_cell_cycle Reactome:R-HSA-68884 Mitotic Telophase/Cytokinesis Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a reactive oxygen species stimulus. Reactive oxygen species include singlet oxygen, superoxide, and oxygen free radicals. response to AOS response to ROI response to ROS response to active oxygen species response to reactive oxidative species response to reactive oxygen intermediate biological_process GO:0000302 response to reactive oxygen species Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a reactive oxygen species stimulus. Reactive oxygen species include singlet oxygen, superoxide, and oxygen free radicals. GOC:krc A vacuole that is maintained at an acidic pH and which contains degradative enzymes, including a wide variety of acid hydrolases. cellular_component GO:0000323 lytic vacuole A vacuole that is maintained at an acidic pH and which contains degradative enzymes, including a wide variety of acid hydrolases. GOC:krc The splicing of Group III introns. This occurs by a ribozymic mechanism where the intron sequence forms a distinct 3D structure, characteristic of Group III introns, that is involved in catalyzing the splicing reactions, though protein factors are also required in vivo. Splicing occurs by a series of two transesterification reactions begun by a bulged adenosine residue within the intron sequence as the initiating nucleophile. The intron is excised as a lariat. Though very similar in structure and mechanism to Group II introns, Group III introns are smaller and more streamlined and the splice site consensus sequences are not as well conserved. biological_process mRNA splicing GO:0000374 Note that Group III introns are known to be found in mRNA of plastids of euglenoid protists. Group III intron splicing The splicing of Group III introns. This occurs by a ribozymic mechanism where the intron sequence forms a distinct 3D structure, characteristic of Group III introns, that is involved in catalyzing the splicing reactions, though protein factors are also required in vivo. Splicing occurs by a series of two transesterification reactions begun by a bulged adenosine residue within the intron sequence as the initiating nucleophile. The intron is excised as a lariat. Though very similar in structure and mechanism to Group II introns, Group III introns are smaller and more streamlined and the splice site consensus sequences are not as well conserved. GOC:krc PMID:11377794 Splicing of RNA via a series of two transesterification reactions. GO:0000385 GO:0031202 biological_process RNA splicing factor activity, transesterification mechanism pre-mRNA splicing factor activity spliceosomal catalysis GO:0000375 Note that nuclear mRNA, Group I, Group II, and Group III introns are all spliced by a series of two transesterification reactions that occur within the RNA itself, or between two RNAs in trans splicing. Some of these require one or more proteins to stabilize the catalytic conformation, while others are autocatalytic. Note that tRNA introns are spliced by a different catalytic mechanism. RNA splicing, via transesterification reactions Splicing of RNA via a series of two transesterification reactions. GOC:krc RNA splicing factor activity, transesterification mechanism GOC:krc GOC:mah pre-mRNA splicing factor activity GOC:krc GOC:mah Splicing of RNA via a series of two transesterification reactions with a bulged adenosine residue from the intron branch point as the initiating nucleophile. When the initial RNA for the splicing reaction is a single molecule (cis splicing), the excised intron is released in a lariat structure. biological_process lariat RNA biosynthesis lariat RNA formation GO:0000377 RNA splicing, via transesterification reactions with bulged adenosine as nucleophile Splicing of RNA via a series of two transesterification reactions with a bulged adenosine residue from the intron branch point as the initiating nucleophile. When the initial RNA for the splicing reaction is a single molecule (cis splicing), the excised intron is released in a lariat structure. GOC:krc PMID:11377794 The joining together of exons from one or more primary transcripts of messenger RNA (mRNA) and the excision of intron sequences, via a spliceosomal mechanism, so that mRNA consisting only of the joined exons is produced. GO:0006374 GO:0006375 mRNA splicing pre-mRNA splicing Reactome:R-HSA-72163 Reactome:R-HSA-72165 nuclear mRNA splicing, via spliceosome nuclear mRNA splicing via U12-type spliceosome nuclear mRNA splicing via U2-type spliceosome biological_process splicing AT-AC intron splicing GT-AG intron GO:0000398 Note that although the many U12-type introns have the sequence AT-AC at the intron termini, some introns with these terminal sequences are spliced by the U2-type spliceosome. The distinguishing characteristics are sequences near the 5' splice site and the branch point sequences of the intron. Note that although the majority of U2-type introns have the sequence GU-AG at the intron termini, some introns with these terminal sequences are spliced by the U12-type spliceosome. The distinguishing characteristics are sequences near the 5' splice site and the branch point sequences of the intron. mRNA splicing, via spliceosome The joining together of exons from one or more primary transcripts of messenger RNA (mRNA) and the excision of intron sequences, via a spliceosomal mechanism, so that mRNA consisting only of the joined exons is produced. GOC:krc ISBN:0198506732 ISBN:0879695897 Reactome:R-HSA-72163 mRNA Splicing - Major Pathway Reactome:R-HSA-72165 mRNA Splicing - Minor Pathway nuclear mRNA splicing, via spliceosome GOC:krc GOC:vw The autophagic process in which mitochondria are delivered to a type of vacuole and degraded in response to changing cellular conditions. https://github.com/geneontology/go-ontology/issues/25541 mitochondrion degradation mitochondrion disassembly mitophagy biological_process GO:0000422 autophagy of mitochondrion The autophagic process in which mitochondria are delivered to a type of vacuole and degraded in response to changing cellular conditions. GOC:autophagy PMID:15798367 PMID:19289147 PMID:23065344 The selective autophagy process in which a mitochondrion is degraded by macroautophagy. Reactome:R-HSA-5205647 Wikipedia:Mitophagy macromitophagy biological_process GO:0000423 Note that this terms refers to the macroautophagy process and is named by common usage. Be aware that there are a separate micromitophagy and mitophagy by induced vacuole formation processes. mitophagy The selective autophagy process in which a mitochondrion is degraded by macroautophagy. PMID:15798367 Reactome:R-HSA-5205647 Mitophagy Any process that contributes to the maintenance of proper telomeric length and structure by affecting and monitoring the activity of telomeric proteins, the length of telomeric DNA and the replication and repair of the DNA. These processes includes those that shorten, lengthen, replicate and repair the telomeric DNA sequences. Reactome:R-HSA-157579 biological_process regulation of telomere length GO:0000723 telomere maintenance Any process that contributes to the maintenance of proper telomeric length and structure by affecting and monitoring the activity of telomeric proteins, the length of telomeric DNA and the replication and repair of the DNA. These processes includes those that shorten, lengthen, replicate and repair the telomeric DNA sequences. GOC:BHF GOC:BHF_telomere GOC:elh GOC:rl PMID:11092831 Reactome:R-HSA-157579 Telomere Maintenance regulation of telomere length GOC:dph GOC:tb The formation of a syncytium, a mass of cytoplasm containing several nuclei enclosed within a single plasma membrane, by the fusion of the plasma membranes of two or more individual cells. cell fusion biological_process GO:0000768 syncytium formation by plasma membrane fusion The formation of a syncytium, a mass of cytoplasm containing several nuclei enclosed within a single plasma membrane, by the fusion of the plasma membranes of two or more individual cells. GOC:mtg_muscle GOC:tb The end of a linear chromosome, required for the integrity and maintenance of the end. A chromosome telomere usually includes a region of telomerase-encoded repeats the length of which rarely exceeds 20 bp each and that permits the formation of a telomeric loop (T-loop). The telomeric repeat region is usually preceded by a sub-telomeric region that is gene-poor but rich in repetitive elements. Some telomeres only consist of the latter part (for eg. D. melanogaster telomeres). GO:0000784 SO:0000624 nuclear chromosome, telomere nuclear chromosome, telomeric region cellular_component telomere GO:0000781 Note that this term can be used in place of the obsolete cellular component term 'telomere ; GO:0005696'. Use with caution because this term refers to a specific region of the chromosome and not a protein complex. chromosome, telomeric region The end of a linear chromosome, required for the integrity and maintenance of the end. A chromosome telomere usually includes a region of telomerase-encoded repeats the length of which rarely exceeds 20 bp each and that permits the formation of a telomeric loop (T-loop). The telomeric repeat region is usually preceded by a sub-telomeric region that is gene-poor but rich in repetitive elements. Some telomeres only consist of the latter part (for eg. D. melanogaster telomeres). GOC:elh A highly compacted molecule of DNA and associated proteins resulting in a cytologically distinct structure. cellular_component cytoplasmic mitotic chromosome metaphase chromosome mitotic chromosome GO:0000793 Note that this term can be used to annotate gene products that localize to a mitotic chromosome in an organism that undergoes an 'open mitosis' in which the nuclear envelope breaks down during mitosis. condensed chromosome A highly compacted molecule of DNA and associated proteins resulting in a cytologically distinct structure. GOC:elh A highly compacted molecule of DNA and associated proteins resulting in a cytologically distinct nuclear chromosome. cellular_component meiotic chromosome nuclear mitotic chromosome GO:0000794 Note that this term and its children can be used to annotate gene products that localize to a mitotic chromosome in an organism that undergoes a 'closed mitosis' in which the nuclear envelope does not break down during mitosis and for gene products that localize to a meiotic chromosome. condensed nuclear chromosome A highly compacted molecule of DNA and associated proteins resulting in a cytologically distinct nuclear chromosome. GOC:elh The cell cycle process in which sister chromatids are organized and then physically separated and apportioned to two or more sets. biological_process GO:0000819 sister chromatid segregation The cell cycle process in which sister chromatids are organized and then physically separated and apportioned to two or more sets. GOC:ai GOC:elh The developmental process in which the size or shape of a cell is generated and organized. GO:0007148 GO:0045790 GO:0045791 cellular morphogenesis biological_process GO:0000902 cell morphogenesis The developmental process in which the size or shape of a cell is generated and organized. GOC:clt GOC:dph GOC:go_curators GOC:tb The division of the cytoplasm and the plasma membrane of a cell and its partitioning into two daughter cells. GO:0007104 GO:0016288 GO:0033205 Wikipedia:Cytokinesis cell cycle cytokinesis cytokinesis involved in cell cycle biological_process GO:0000910 Note that this term should not be used for direct annotation. When annotating eukaryotic species, mitotic or meiotic cytokinesis should always be specified for manual annotation and for prokaryotic species use 'FtsZ-dependent cytokinesis ; GO:0043093' or Cdv-dependent cytokinesis ; GO:0061639. Also, note that cytokinesis does not necessarily result in physical separation and detachment of the two daughter cells from each other. cytokinesis The division of the cytoplasm and the plasma membrane of a cell and its partitioning into two daughter cells. GOC:mtg_cell_cycle cytokinesis involved in cell cycle GOC:dph GOC:tb A focus in the cytoplasm where mRNAs may become inactivated by decapping or some other mechanism. Protein and RNA localized to these foci are involved in mRNA degradation, nonsense-mediated mRNA decay (NMD), translational repression, and RNA-mediated gene silencing. Wikipedia:P_body P body cytoplasmic mRNA processing body cellular_component cytoplasmic foci GO:0000932 P-body A focus in the cytoplasm where mRNAs may become inactivated by decapping or some other mechanism. Protein and RNA localized to these foci are involved in mRNA degradation, nonsense-mediated mRNA decay (NMD), translational repression, and RNA-mediated gene silencing. GOC:clt PMID:12730603 The chemical reactions and pathways resulting in the breakdown of nuclear-transcribed mRNAs in eukaryotic cells. nuclear mRNA breakdown nuclear mRNA catabolism nuclear mRNA degradation biological_process GO:0000956 nuclear-transcribed mRNA catabolic process The chemical reactions and pathways resulting in the breakdown of nuclear-transcribed mRNAs in eukaryotic cells. GOC:krc The chemical reactions and pathways resulting in the breakdown of RNA transcribed from the mitochondrial genome and occurring in the mitochondrion. Reactome:R-HSA-9836573 biological_process GO:0000957 mitochondrial RNA catabolic process The chemical reactions and pathways resulting in the breakdown of RNA transcribed from the mitochondrial genome and occurring in the mitochondrion. GOC:krc GOC:mah Reactome:R-HSA-9836573 Mitochondrial RNA degradation The chemical reactions and pathways resulting in the breakdown of mRNA transcribed from the mitochondrial genome and occurring in the mitochondrion. biological_process GO:0000958 mitochondrial mRNA catabolic process The chemical reactions and pathways resulting in the breakdown of mRNA transcribed from the mitochondrial genome and occurring in the mitochondrion. GOC:krc GOC:mah The chemical reactions and pathways involving RNA transcribed from the mitochondrial genome and occurring in the mitochondrion. biological_process GO:0000959 mitochondrial RNA metabolic process The chemical reactions and pathways involving RNA transcribed from the mitochondrial genome and occurring in the mitochondrion. GOC:krc GOC:mah Any process that modulates the frequency, rate or extent of the chemical reactions and pathways involving catabolism in the mitochondrion of RNA transcribed from the mitochondrial genome. biological_process GO:0000960 regulation of mitochondrial RNA catabolic process Any process that modulates the frequency, rate or extent of the chemical reactions and pathways involving catabolism in the mitochondrion of RNA transcribed from the mitochondrial genome. GOC:krc GOC:mah Any process that stops, prevents, or reduces the frequency, rate or extent of the chemical reactions and pathways involving catabolism in the mitochondrion of RNA transcribed from the mitochondrial genome. biological_process GO:0000961 negative regulation of mitochondrial RNA catabolic process Any process that stops, prevents, or reduces the frequency, rate or extent of the chemical reactions and pathways involving catabolism in the mitochondrion of RNA transcribed from the mitochondrial genome. GOC:krc GOC:mah Any process that activates or increases the frequency, rate or extent of the chemical reactions and pathways involving catabolism in the mitochondrion of RNA transcribed from the mitochondrial genome. biological_process GO:0000962 positive regulation of mitochondrial RNA catabolic process Any process that activates or increases the frequency, rate or extent of the chemical reactions and pathways involving catabolism in the mitochondrion of RNA transcribed from the mitochondrial genome. GOC:krc GOC:mah The conversion of a primary RNA molecule transcribed from a mitochondrial genome into one or more mature RNA molecules; occurs in the mitochondrion. biological_process GO:0000963 mitochondrial RNA processing The conversion of a primary RNA molecule transcribed from a mitochondrial genome into one or more mature RNA molecules; occurs in the mitochondrion. GOC:krc GOC:mah Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus by the chemical structure of the anion portion of a dissociated acid (rather than the acid acting as a proton donor). The acid chemical may be in gaseous, liquid or solid form. response to acid biological_process response to acid anion response to oxoanion GO:0001101 This term should be used to describe a response to a specific acid as a chemical. E.g., if an organism were responding to glutamate, then the response would be glutamate-specific; the organism is actually responding to the chemical structure of the anion portion of the dissociated acid. Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation QC. If annotating experiments where an acid is playing a role as a proton donor, please annotate to GO:0010447 'response to acidic pH' instead. response to acid chemical Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus by the chemical structure of the anion portion of a dissociated acid (rather than the acid acting as a proton donor). The acid chemical may be in gaseous, liquid or solid form. GOC:go_curators GOC:rn A developmental process, independent of morphogenetic (shape) change, that is required for an oocyte to attain its fully functional state. Oocyte maturation commences after reinitiation of meiosis commonly starting with germinal vesicle breakdown, and continues up to the second meiotic arrest prior to fertilization. Wikipedia:Oocyte_maturation biological_process GO:0001556 oocyte maturation A developmental process, independent of morphogenetic (shape) change, that is required for an oocyte to attain its fully functional state. Oocyte maturation commences after reinitiation of meiosis commonly starting with germinal vesicle breakdown, and continues up to the second meiotic arrest prior to fertilization. GOC:devbiol https://www.ncbi.nlm.nih.gov/books/NBK279054/ Any process that modulates the frequency, rate, extent or direction of cell growth. biological_process GO:0001558 regulation of cell growth Any process that modulates the frequency, rate, extent or direction of cell growth. GOC:go_curators Any process in which external signals modulate the frequency, rate or extent of cell growth, the irreversible increase in size of a cell over time. interpretation of external signals that regulate cell growth regulation of cell growth by detection of exogenous stimulus regulation of cell growth by sensing of exogenous stimulus regulation of growth by exogenous signal regulation of growth by exogenous stimuli regulation of growth by exogenous stimulus regulation of growth by external signal regulation of growth by external stimuli regulation of growth by external stimulus biological_process GO:0001560 regulation of cell growth by extracellular stimulus Any process in which external signals modulate the frequency, rate or extent of cell growth, the irreversible increase in size of a cell over time. GOC:dph Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus indicating lowered oxygen tension. Hypoxia, defined as a decline in O2 levels below normoxic levels of 20.8 - 20.95%, results in metabolic adaptation at both the cellular and organismal level. response to hypoxic stress response to lowered oxygen tension response to intermittent hypoxia response to sustained hypoxia biological_process GO:0001666 Note that this term should not be confused with 'response to anoxia ; GO:0034059'. Note that in laboratory studies, hypoxia is typically studied at O2 concentrations ranging from 0.1 - 5%. response to hypoxia Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus indicating lowered oxygen tension. Hypoxia, defined as a decline in O2 levels below normoxic levels of 20.8 - 20.95%, results in metabolic adaptation at both the cellular and organismal level. GOC:hjd Cell migration that is accomplished by extension and retraction of a pseudopodium. ameboid cell migration amoeboid cell migration amoeboidal cell migration biological_process GO:0001667 Note that this term refers to a mode of migration rather than to any particular cell type. ameboidal-type cell migration Cell migration that is accomplished by extension and retraction of a pseudopodium. GOC:dph Formation of a complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator). translation initiation ternary complex assembly biological_process GO:0001677 formation of translation initiation ternary complex Formation of a complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator). GOC:hjd The formation of the ectoderm, mesoderm and endoderm during gastrulation. biological_process GO:0001704 formation of primary germ layer The formation of the ectoderm, mesoderm and endoderm during gastrulation. GOC:go_curators The formation of ectoderm during gastrulation. biological_process GO:0001705 ectoderm formation The formation of ectoderm during gastrulation. GOC:go_curators The formation of the endoderm during gastrulation. Reactome:R-HSA-9823730 endoblast formation biological_process GO:0001706 endoderm formation The formation of the endoderm during gastrulation. GOC:go_curators Reactome:R-HSA-9823730 Formation of definitive endoderm endoblast formation GOC:dph GOC:sdb_2009 GOC:tb The process that gives rise to the mesoderm. This process pertains to the initial formation of the structure from unspecified parts. biological_process GO:0001707 mesoderm formation The process that gives rise to the mesoderm. This process pertains to the initial formation of the structure from unspecified parts. GOC:go_curators The cellular developmental process involved in cell fate commitment in which the cell is designated to follow a developmental path, unless they receive extrinsic cues that direct an alternative fate. https://github.com/geneontology/go-ontology/issues/24390 biological_process GO:0001708 cell fate specification The cellular developmental process involved in cell fate commitment in which the cell is designated to follow a developmental path, unless they receive extrinsic cues that direct an alternative fate. GOC:go_curators The characteristic movement of an immature neuron from germinal zones to specific positions where they will reside as they mature. Wikipedia:Neural_development#Neuron_migration Wikipedia:Neuron_migration neuron chemotaxis neuronal migration biological_process neuron guidance GO:0001764 neuron migration The characteristic movement of an immature neuron from germinal zones to specific positions where they will reside as they mature. CL:0000540 GOC:go_curators Any process that modulates the frequency, rate or extent of addition of phosphate groups into an amino acid in a protein. https://github.com/geneontology/go-ontology/issues/28278 regulation of protein amino acid phosphorylation biological_process GO:0001932 regulation of protein phosphorylation Any process that modulates the frequency, rate or extent of addition of phosphate groups into an amino acid in a protein. GOC:hjd regulation of protein amino acid phosphorylation GOC:bf Any process that stops, prevents or reduces the rate of addition of phosphate groups to amino acids within a protein. https://github.com/geneontology/go-ontology/issues/28278 down regulation of protein amino acid phosphorylation down-regulation of protein amino acid phosphorylation downregulation of protein amino acid phosphorylation negative regulation of protein amino acid phosphorylation inhibition of protein amino acid phosphorylation biological_process GO:0001933 negative regulation of protein phosphorylation Any process that stops, prevents or reduces the rate of addition of phosphate groups to amino acids within a protein. GOC:hjd negative regulation of protein amino acid phosphorylation GOC:bf Any process that activates or increases the frequency, rate or extent of addition of phosphate groups to amino acids within a protein. https://github.com/geneontology/go-ontology/issues/27189 https://github.com/geneontology/go-ontology/issues/28278 positive regulation of protein amino acid phosphorylation up regulation of protein amino acid phosphorylation up-regulation of protein amino acid phosphorylation upregulation of protein amino acid phosphorylation activation of protein amino acid phosphorylation stimulation of protein amino acid phosphorylation biological_process GO:0001934 positive regulation of protein phosphorylation Any process that activates or increases the frequency, rate or extent of addition of phosphate groups to amino acids within a protein. GOC:hjd positive regulation of protein amino acid phosphorylation GOC:bf The pronucleus originating from the ovum that is being fertilized. cellular_component GO:0001939 female pronucleus The pronucleus originating from the ovum that is being fertilized. GOC:hjd ISBN:0198506732 The pronucleus originating from the spermatozoa that was involved in fertilization. cellular_component GO:0001940 male pronucleus The pronucleus originating from the spermatozoa that was involved in fertilization. GOC:hjd ISBN:0198506732 Any process that activates or increases the frequency, rate or extent of the regulated release of a neurotransmitter. up regulation of neurotransmitter secretion up-regulation of neurotransmitter secretion upregulation of neurotransmitter secretion activation of neurotransmitter secretion stimulation of neurotransmitter secretion biological_process GO:0001956 positive regulation of neurotransmitter secretion Any process that activates or increases the frequency, rate or extent of the regulated release of a neurotransmitter. GOC:hjd The directed movement of an animal in response to touch. taxis in response to mechanical stimulus stereotaxis taxis in response to touch stimulus biological_process GO:0001966 thigmotaxis The directed movement of an animal in response to touch. GOC:dph The process whose specific outcome is the progression of an epithelial cell over time, from its formation to the mature structure. An epithelial cell is a cell usually found in a two-dimensional sheet with a free surface. biological_process GO:0002064 epithelial cell development The process whose specific outcome is the progression of an epithelial cell over time, from its formation to the mature structure. An epithelial cell is a cell usually found in a two-dimensional sheet with a free surface. GOC:dph The process whose specific outcome is the progression of the nematode larva over time, from its formation to the mature structure. Nematode larval development begins with the newly hatched first-stage larva (L1) and ends with the end of the last larval stage (for example the fourth larval stage (L4) in C. elegans). Each stage of nematode larval development is characterized by proliferation of specific cell lineages and an increase in body size without alteration of the basic body plan. Nematode larval stages are separated by molts in which each stage-specific exoskeleton, or cuticle, is shed and replaced anew. biological_process GO:0002119 nematode larval development The process whose specific outcome is the progression of the nematode larva over time, from its formation to the mature structure. Nematode larval development begins with the newly hatched first-stage larva (L1) and ends with the end of the last larval stage (for example the fourth larval stage (L4) in C. elegans). Each stage of nematode larval development is characterized by proliferation of specific cell lineages and an increase in body size without alteration of the basic body plan. Nematode larval stages are separated by molts in which each stage-specific exoskeleton, or cuticle, is shed and replaced anew. GOC:ems GOC:kmv The process whose specific outcome is the progression of the larva over time, from its formation to the mature structure. The larva is the early, immature form of an that at birth or hatching is fundamentally unlike its parent and must metamorphose before assuming the adult characters. biological_process GO:0002164 larval development The process whose specific outcome is the progression of the larva over time, from its formation to the mature structure. The larva is the early, immature form of an that at birth or hatching is fundamentally unlike its parent and must metamorphose before assuming the adult characters. GOC:jid ISBN:0877795088 The chemical reactions and pathways resulting in the formation of a protein in the cytoplasm. This is a ribosome-mediated process in which the information in messenger RNA (mRNA) is used to specify the sequence of amino acids in the protein. hjd 2011-06-09T03:11:53Z biological_process GO:0002181 Note that this term applies to translation performed by cytoplasmic ribosomes, which is distinct from translation performed by organellar ribosomes. For mitochondrial translation, consider GO:0032543 'mitochondrial translation' or its child terms. cytoplasmic translation The chemical reactions and pathways resulting in the formation of a protein in the cytoplasm. This is a ribosome-mediated process in which the information in messenger RNA (mRNA) is used to specify the sequence of amino acids in the protein. GOC:hjd The successive addition of amino acid residues to a nascent polypeptide chain during protein biosynthesis in the cytoplasm. hjd 2011-06-09T03:14:42Z biological_process GO:0002182 cytoplasmic translational elongation The successive addition of amino acid residues to a nascent polypeptide chain during protein biosynthesis in the cytoplasm. GOC:hjd The process preceding formation of the peptide bond between the first two amino acids of a protein in the cytoplasm. This includes the formation of a complex of the ribosome, mRNA or circRNA, and an initiation complex that contains the first aminoacyl-tRNA. hjd 2011-06-09T03:15:48Z biological_process GO:0002183 cytoplasmic translational initiation The process preceding formation of the peptide bond between the first two amino acids of a protein in the cytoplasm. This includes the formation of a complex of the ribosome, mRNA or circRNA, and an initiation complex that contains the first aminoacyl-tRNA. GOC:hjd The process resulting in the release of a polypeptide chain from the ribosome in the cytoplasm, usually in response to a termination codon. hjd 2011-06-09T03:17:13Z biological_process GO:0002184 cytoplasmic translational termination The process resulting in the release of a polypeptide chain from the ribosome in the cytoplasm, usually in response to a termination codon. GOC:hjd Any process involved in the development or functioning of the immune system, an organismal system for calibrated responses to potential internal or invasive threats. Wikipedia:Immune_system biological_process GO:0002376 Note that this term is a direct child of 'biological_process ; GO:0008150' because some immune system processes are types of cellular process (GO:0009987), whereas others are types of multicellular organism process (GO:0032501). immune system process Any process involved in the development or functioning of the immune system, an organismal system for calibrated responses to potential internal or invasive threats. GOC:add GO_REF:0000022 The process whose specific outcome is the progression of an organismal system whose objective is to provide calibrated responses by an organism to a potential internal or invasive threat, over time, from its formation to the mature structure. A system is a regularly interacting or interdependent group of organs or tissues that work together to carry out a given biological process. biological_process GO:0002520 immune system development The process whose specific outcome is the progression of an organismal system whose objective is to provide calibrated responses by an organism to a potential internal or invasive threat, over time, from its formation to the mature structure. A system is a regularly interacting or interdependent group of organs or tissues that work together to carry out a given biological process. GOC:add GOC:dph Any process that modulates the frequency, rate, or extent of an immune system process. biological_process GO:0002682 regulation of immune system process Any process that modulates the frequency, rate, or extent of an immune system process. GOC:add Any process that stops, prevents, or reduces the frequency, rate, or extent of an immune system process. down regulation of immune system process down-regulation of immune system process downregulation of immune system process inhibition of immune system process biological_process GO:0002683 negative regulation of immune system process Any process that stops, prevents, or reduces the frequency, rate, or extent of an immune system process. GOC:add Any process that activates or increases the frequency, rate, or extent of an immune system process. up regulation of immune system process up-regulation of immune system process upregulation of immune system process activation of immune system process stimulation of immune system process biological_process GO:0002684 positive regulation of immune system process Any process that activates or increases the frequency, rate, or extent of an immune system process. GOC:add Any process that modulates the frequency, rate, or extent of a response to biotic stimulus. biological_process GO:0002831 Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation QC. regulation of response to biotic stimulus Any process that modulates the frequency, rate, or extent of a response to biotic stimulus. GOC:add Any process that stops, prevents, or reduces the frequency, rate, or extent of a response to biotic stimulus. down regulation of response to biotic stimulus down-regulation of response to biotic stimulus downregulation of response to biotic stimulus inhibition of response to biotic stimulus biological_process GO:0002832 Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation QC. negative regulation of response to biotic stimulus Any process that stops, prevents, or reduces the frequency, rate, or extent of a response to biotic stimulus. GOC:add Any process that activates or increases the frequency, rate, or extent of a response to biotic stimulus. up regulation of response to biotic stimulus up-regulation of response to biotic stimulus upregulation of response to biotic stimulus activation of response to biotic stimulus stimulation of response to biotic stimulus biological_process GO:0002833 Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation QC. positive regulation of response to biotic stimulus Any process that activates or increases the frequency, rate, or extent of a response to biotic stimulus. GOC:add A developmental process in which a progressive change in the state of some part of an organism, germline or somatic, specifically contributes to its ability to form offspring. puberty biological_process reproductive developmental process GO:0003006 developmental process involved in reproduction A developmental process in which a progressive change in the state of some part of an organism, germline or somatic, specifically contributes to its ability to form offspring. GOC:dph GOC:isa_complete puberty GOC:dph reproductive developmental process GOC:dph GOC:tb A multicellular organismal process carried out by any of the organs or tissues in an organ system. An organ system is a regularly interacting or interdependent group of organs or tissues that work together to carry out a biological objective. organ system process biological_process GO:0003008 system process A multicellular organismal process carried out by any of the organs or tissues in an organ system. An organ system is a regularly interacting or interdependent group of organs or tissues that work together to carry out a biological objective. GOC:mtg_cardio An organ system process carried out at the level of a muscle. Muscle tissue is composed of contractile cells or fibers. biological_process muscle physiological process GO:0003012 muscle system process An organ system process carried out at the level of a muscle. Muscle tissue is composed of contractile cells or fibers. GOC:mtg_cardio The specification and formation of anisotropic intracellular organization that contributes to the self-propelled directed movement of an ameboid cell. dph 2009-12-08T04:50:41Z biological_process GO:0003365 establishment of cell polarity involved in ameboidal cell migration The specification and formation of anisotropic intracellular organization that contributes to the self-propelled directed movement of an ameboid cell. GOC:ascb_2009 GOC:dph GOC:tb The specification and formation of anisotropic intracellular organization that contributes to the self-propelled directed movement of an ameboid cell taking part in gastrulation. dph 2009-12-09T06:54:44Z biological_process GO:0003379 establishment of cell polarity involved in gastrulation cell migration The specification and formation of anisotropic intracellular organization that contributes to the self-propelled directed movement of an ameboid cell taking part in gastrulation. GOC:ascb_2009 GOC:dph GOC:tb A molecular process that can be carried out by the action of a single macromolecular machine, usually via direct physical interactions with other molecular entities. Function in this sense denotes an action, or activity, that a gene product (or a complex) performs. This is the same as GO molecular function GO:0005554 molecular function molecular_function GO:0003674 Note that, in addition to forming the root of the molecular function ontology, this term is recommended for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. Note that, in addition to forming the root of the molecular function ontology, this term is recommended for use for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. This is the same as GO molecular function gene product or complex activity molecular_function A molecular process that can be carried out by the action of a single macromolecular machine, usually via direct physical interactions with other molecular entities. Function in this sense denotes an action, or activity, that a gene product (or a complex) performs. GOC:pdt Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. Wikipedia:Enzyme enzyme activity molecular_function GO:0003824 catalytic activity Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. GOC:vw ISBN:0198506732 enzyme activity GOC:dph GOC:tb Catalysis of the reaction: acetylcholine + H2O = choline + acetate. EC:3.1.1.7 MetaCyc:ACETYLCHOLINESTERASE-RXN RHEA:17561 Reactome:R-HSA-372519 molecular_function AcCholE acetyl.beta-methylcholinesterase activity acetylcholine acetylhydrolase activity acetylcholine hydrolase activity acetylthiocholinesterase activity choline esterase I activity true cholinesterase activity GO:0003990 acetylcholinesterase activity Catalysis of the reaction: acetylcholine + H2O = choline + acetate. EC:3.1.1.7 Reactome:R-HSA-372519 AcCho is hydrolyzed to Cho and acetate by ACHE AcCholE EC:3.1.1.7 acetyl.beta-methylcholinesterase activity EC:3.1.1.7 acetylcholine acetylhydrolase activity EC:3.1.1.7 acetylcholine hydrolase activity EC:3.1.1.7 acetylthiocholinesterase activity EC:3.1.1.7 choline esterase I activity EC:3.1.1.7 true cholinesterase activity EC:3.1.1.7 Catalysis of the reaction: an acylcholine + H2O = choline + a carboxylic acid anion. EC:3.1.1.8 MetaCyc:CHOLINESTERASE-RXN RHEA:21964 molecular_function BtChoEase activity acylcholine acylhydrolase activity anticholineesterase activity benzoylcholinesterase activity butyrylcholine esterase activity butyrylcholinesterase activity choline esterase II (unspecific) activity choline esterase activity non-specific cholinesterase activity propionylcholinesterase activity pseudocholinesterase activity GO:0004104 cholinesterase activity Catalysis of the reaction: an acylcholine + H2O = choline + a carboxylic acid anion. EC:3.1.1.8 BtChoEase activity EC:3.1.1.8 acylcholine acylhydrolase activity EC:3.1.1.8 anticholineesterase activity EC:3.1.1.8 benzoylcholinesterase activity EC:3.1.1.8 butyrylcholine esterase activity EC:3.1.1.8 butyrylcholinesterase activity EC:3.1.1.8 choline esterase II (unspecific) activity EC:3.1.1.8 choline esterase activity EC:3.1.1.8 non-specific cholinesterase activity EC:3.1.1.8 propionylcholinesterase activity EC:3.1.1.8 pseudocholinesterase activity EC:3.1.1.8 Binding to one or more specific sites on a receptor molecule, a macromolecule that undergoes combination with a hormone, neurotransmitter, drug or intracellular messenger to initiate a change in cell function. receptor binding Wikipedia:Ligand_(biochemistry) receptor ligand molecular_function receptor-associated protein activity GO:0005102 Where appropriate, also consider annotating to 'receptor agonist activity ; GO:0048018'. signaling receptor binding Binding to one or more specific sites on a receptor molecule, a macromolecule that undergoes combination with a hormone, neurotransmitter, drug or intracellular messenger to initiate a change in cell function. GOC:bf GOC:ceb ISBN:0198506732 The selective, non-covalent, often stoichiometric, interaction of a molecule with one or more specific sites on another molecule. Wikipedia:Binding_(molecular) ligand molecular_function GO:0005488 binding The selective, non-covalent, often stoichiometric, interaction of a molecule with one or more specific sites on another molecule. GOC:ceb GOC:mah ISBN:0198506732 Binding to a protein. GO:0001948 GO:0045308 Reactome:R-HSA-9866132 protein amino acid binding glycoprotein binding molecular_function GO:0005515 protein binding Binding to a protein. GOC:go_curators Reactome:R-HSA-9866132 Intermediate II binds CYC1, UQCRC1, UQCRC2, UQCRH A location, relative to cellular compartments and structures, occupied by a macromolecular machine. There are three types of cellular components described in the gene ontology: (1) the cellular anatomical entity where a gene product carries out a molecular function (e.g., plasma membrane, cytoskeleton) or membrane-enclosed compartments (e.g., mitochondrion); (2) virion components, where viral proteins act, and (3) the stable macromolecular complexes of which gene product are parts (e.g., the clathrin complex). https://github.com/geneontology/go-ontology/issues/17729 GO:0008372 NIF_Subcellular:sao1337158144 cell or subcellular entity cellular component cellular_component subcellular entity GO:0005575 Note that, in addition to forming the root of the cellular component ontology, this term is recommended for the annotation of gene products whose cellular component is unknown. When this term is used for annotation, it indicates that no information was available about the cellular component of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. cellular_component A location, relative to cellular compartments and structures, occupied by a macromolecular machine. There are three types of cellular components described in the gene ontology: (1) the cellular anatomical entity where a gene product carries out a molecular function (e.g., plasma membrane, cytoskeleton) or membrane-enclosed compartments (e.g., mitochondrion); (2) virion components, where viral proteins act, and (3) the stable macromolecular complexes of which gene product are parts (e.g., the clathrin complex). GOC:pdt subcellular entity NIF_Subcellular:nlx_subcell_100315 A collagen-containing extracellular matrix consisting of a thin layer of dense material found in various animal tissues interposed between the cells and the adjacent connective tissue. It consists of the basal lamina plus an associated layer of reticulin fibers. https://github.com/geneontology/go-ontology/issues/29267 GO:0005605 GO:0008003 Wikipedia:Basement_membrane cellular_component basal lamina basement lamina lamina densa GO:0005604 Note that this term has no relationship to 'membrane ; GO:0016020' because the basement membrane is not a lipid bilayer. basement membrane A collagen-containing extracellular matrix consisting of a thin layer of dense material found in various animal tissues interposed between the cells and the adjacent connective tissue. It consists of the basal lamina plus an associated layer of reticulin fibers. PMID:22505934 PMID:33605520 PMID:39223427 A component of a cell contained within (but not including) the plasma membrane. In eukaryotes it includes the nucleus and cytoplasm. https://github.com/geneontology/go-ontology/issues/17776 Wikipedia:Intracellular internal to cell intracellular protoplasm cellular_component nucleocytoplasm protoplast GO:0005622 intracellular anatomical structure A component of a cell contained within (but not including) the plasma membrane. In eukaryotes it includes the nucleus and cytoplasm. ISBN:0198506732 nucleocytoplasm GOC:mah protoplast GOC:mah OBSOLETE. The basic structural and functional unit of all organisms. Includes the plasma membrane and any external encapsulating structures such as the cell wall and cell envelope. https://github.com/geneontology/go-ontology/issues/19036 cell and encapsulating structures NIF_Subcellular:sao1813327414 Wikipedia:Cell_(biology) cellular_component GO:0005623 This term was obsoleted because it was redundant with the root class of the cell ontology, CL:0000000. obsolete cell true OBSOLETE. The basic structural and functional unit of all organisms. Includes the plasma membrane and any external encapsulating structures such as the cell wall and cell envelope. GOC:go_curators A membrane-bounded organelle of eukaryotic cells in which chromosomes are housed and replicated. In most cells, the nucleus contains all of the cell's chromosomes except the organellar chromosomes, and is the site of RNA synthesis and processing. In some species, or in specialized cell types, RNA metabolism or DNA replication may be absent. NIF_Subcellular:sao1702920020 Wikipedia:Cell_nucleus cell nucleus horsetail nucleus cellular_component GO:0005634 nucleus A membrane-bounded organelle of eukaryotic cells in which chromosomes are housed and replicated. In most cells, the nucleus contains all of the cell's chromosomes except the organellar chromosomes, and is the site of RNA synthesis and processing. In some species, or in specialized cell types, RNA metabolism or DNA replication may be absent. GOC:go_curators horsetail nucleus GOC:al GOC:mah GOC:vw PMID:15030757 The double lipid bilayer that encloses the nucleus, separating its contents from the cytoplasm. It consists of an inner and outer nuclear membrane, with an intermembrane space (20-40 nm wide, also called the perinuclear space) between them. The envelope is supported by the nuclear lamina and contains nuclear pore complexes, which regulate molecular transport. https://github.com/geneontology/go-ontology/issues/29832 GO:0005636 Wikipedia:Nuclear_envelope cellular_component GO:0005635 nuclear envelope The double lipid bilayer that encloses the nucleus, separating its contents from the cytoplasm. It consists of an inner and outer nuclear membrane, with an intermembrane space (20-40 nm wide, also called the perinuclear space) between them. The envelope is supported by the nuclear lamina and contains nuclear pore complexes, which regulate molecular transport. ISBN:0198547684 PMID:16164970 A protein complex providing a discrete opening in the nuclear envelope of a eukaryotic cell, where the inner and outer nuclear membranes are joined. GO:0005644 NIF_Subcellular:sao220861693 Wikipedia:Nuclear_pore NPC nuclear pore complex nucleopore nuclear pore membrane protein cellular_component GO:0005643 nuclear pore A protein complex providing a discrete opening in the nuclear envelope of a eukaryotic cell, where the inner and outer nuclear membranes are joined. ISBN:0198547684 nucleopore GOC:al PMID:7603572 A structure composed of a very long molecule of DNA and associated proteins (e.g. histones) that carries hereditary information. Wikipedia:Chromosome interphase chromosome prophase chromosome cellular_component chromatid GO:0005694 Chromosomes include parts that are not part of the chromatin. Examples include the kinetochore. chromosome A structure composed of a very long molecule of DNA and associated proteins (e.g. histones) that carries hereditary information. ISBN:0198547684 A connection formed between chromatids, visible during meiosis, thought to be the point of the interchange involved in crossing-over. Wikipedia:Chiasma_(genetics) cellular_component GO:0005712 chiasma A connection formed between chromatids, visible during meiosis, thought to be the point of the interchange involved in crossing-over. ISBN:0198506732 A small, dense body one or more of which are present in the nucleus of eukaryotic cells. It is rich in RNA and protein, is not bounded by a limiting membrane, and is not seen during mitosis. Its prime function is the transcription of the nucleolar DNA into 45S ribosomal-precursor RNA, the processing of this RNA into 5.8S, 18S, and 28S components of ribosomal RNA, and the association of these components with 5S RNA and proteins synthesized outside the nucleolus. This association results in the formation of ribonucleoprotein precursors; these pass into the cytoplasm and mature into the 40S and 60S subunits of the ribosome. NIF_Subcellular:sao1820400233 Wikipedia:Nucleolus cellular_component GO:0005730 nucleolus A small, dense body one or more of which are present in the nucleus of eukaryotic cells. It is rich in RNA and protein, is not bounded by a limiting membrane, and is not seen during mitosis. Its prime function is the transcription of the nucleolar DNA into 45S ribosomal-precursor RNA, the processing of this RNA into 5.8S, 18S, and 28S components of ribosomal RNA, and the association of these components with 5S RNA and proteins synthesized outside the nucleolus. This association results in the formation of ribonucleoprotein precursors; these pass into the cytoplasm and mature into the 40S and 60S subunits of the ribosome. ISBN:0198506732 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. https://github.com/geneontology/go-ontology/issues/23023 Wikipedia:Cytoplasm cellular_component GO:0005737 cytoplasm The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. ISBN:0198547684 A semiautonomous, self replicating organelle that occurs in varying numbers, shapes, and sizes in the cytoplasm of virtually all eukaryotic cells. It is notably the site of tissue respiration. NIF_Subcellular:sao1860313010 Wikipedia:Mitochondrion mitochondria cellular_component GO:0005739 Some anaerobic or microaerophilic organisms (e.g. Entamoeba histolytica, Giardia intestinalis and several Microsporidia species) do not have mitochondria, and contain mitochondrion-related organelles (MROs) instead, called mitosomes or hydrogenosomes, very likely derived from mitochondria. To annotate gene products located in these mitochondrial relics in species such as Entamoeba histolytica, Giardia intestinalis or others, please use GO:0032047 'mitosome' or GO:0042566 'hydrogenosome'. (See PMID:24316280 for a list of species currently known to contain mitochondrion-related organelles.) mitochondrion A semiautonomous, self replicating organelle that occurs in varying numbers, shapes, and sizes in the cytoplasm of virtually all eukaryotic cells. It is notably the site of tissue respiration. GOC:giardia ISBN:0198506732 The double lipid bilayer enclosing the mitochondrion and separating its contents from the cell cytoplasm; includes the intermembrane space. cellular_component GO:0005740 mitochondrial envelope The double lipid bilayer enclosing the mitochondrion and separating its contents from the cell cytoplasm; includes the intermembrane space. GOC:ai GOC:pz The gel-like material, with considerable fine structure, that lies in the matrix space, or lumen, of a mitochondrion. It contains the enzymes of the tricarboxylic acid cycle and, in some organisms, the enzymes concerned with fatty acid oxidation. GO:0031980 NIF_Subcellular:sao1804523077 Wikipedia:Mitochondrial_matrix mitochondrial lumen mitochondrial stroma cellular_component GO:0005759 mitochondrial matrix The gel-like material, with considerable fine structure, that lies in the matrix space, or lumen, of a mitochondrion. It contains the enzymes of the tricarboxylic acid cycle and, in some organisms, the enzymes concerned with fatty acid oxidation. GOC:as ISBN:0198506732 A small lytic vacuole that has cell cycle-independent morphology found in most animal cells and that contains a variety of hydrolases, most of which have their maximal activities in the pH range 5-6. The contained enzymes display latency if properly isolated. About 40 different lysosomal hydrolases are known and lysosomes have a great variety of morphologies and functions. NIF_Subcellular:sao585356902 Wikipedia:Lysosome cellular_component GO:0005764 lysosome A small lytic vacuole that has cell cycle-independent morphology found in most animal cells and that contains a variety of hydrolases, most of which have their maximal activities in the pH range 5-6. The contained enzymes display latency if properly isolated. About 40 different lysosomal hydrolases are known and lysosomes have a great variety of morphologies and functions. GOC:mah ISBN:0198506732 A vacuole to which materials ingested by endocytosis are delivered. NIF_Subcellular:sao1720343330 Wikipedia:Endosome cellular_component GO:0005768 endosome A vacuole to which materials ingested by endocytosis are delivered. ISBN:0198506732 PMID:19696797 A membrane-bounded organelle that receives incoming material from primary endocytic vesicles that have been generated by clathrin-dependent and clathrin-independent endocytosis; vesicles fuse with the early endosome to deliver cargo for sorting into recycling or degradation pathways. NIF_Subcellular:nlx_subcell_20090701 cellular_component GO:0005769 early endosome A membrane-bounded organelle that receives incoming material from primary endocytic vesicles that have been generated by clathrin-dependent and clathrin-independent endocytosis; vesicles fuse with the early endosome to deliver cargo for sorting into recycling or degradation pathways. GOC:mah NIF_Subcellular:nlx_subcell_20090701 PMID:19696797 A prelysosomal endocytic organelle differentiated from early endosomes by lower lumenal pH and different protein composition. Late endosomes are more spherical than early endosomes and are mostly juxtanuclear, being concentrated near the microtubule organizing center. PVC NIF_Subcellular:nlx_subcell_20090702 prevacuolar compartment cellular_component GO:0005770 late endosome A prelysosomal endocytic organelle differentiated from early endosomes by lower lumenal pH and different protein composition. Late endosomes are more spherical than early endosomes and are mostly juxtanuclear, being concentrated near the microtubule organizing center. NIF_Subcellular:nlx_subcell_20090702 PMID:11964142 PMID:2557062 A closed structure, found only in eukaryotic cells, that is completely surrounded by unit membrane and contains liquid material. Cells contain one or several vacuoles, that may have different functions from each other. Vacuoles have a diverse array of functions. They can act as a storage organelle for nutrients or waste products, as a degradative compartment, as a cost-effective way of increasing cell size, and as a homeostatic regulator controlling both turgor pressure and pH of the cytosol. Wikipedia:Vacuole cellular_component vacuolar carboxypeptidase Y GO:0005773