alaynecuzick 2018-07-09T13:43:00Z Ontology of species-neutral phenotypes observed in pathogen-host interactions. Pathogen Host Interactions Phenotype Ontology https://creativecommons.org/licenses/by/3.0/ 2024-08-29 definition The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. 2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition definition textual definition If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL is a defining property chain axiom If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. is a defining property chain axiom where second argument is reflexive created by creation date has_alternative_id An alternative label for a class or property which has a more general meaning than the preferred name/primary label. https://github.com/information-artifact-ontology/ontology-metadata/issues/18 has broad synonym has_broad_synonym https://github.com/information-artifact-ontology/ontology-metadata/issues/18 database_cross_reference An alternative label for a class or property which has the exact same meaning than the preferred name/primary label. https://github.com/information-artifact-ontology/ontology-metadata/issues/20 has exact synonym has_exact_synonym https://github.com/information-artifact-ontology/ontology-metadata/issues/20 An alternative label for a class or property which has a more specific meaning than the preferred name/primary label. https://github.com/information-artifact-ontology/ontology-metadata/issues/19 has narrow synonym has_narrow_synonym https://github.com/information-artifact-ontology/ontology-metadata/issues/19 has_obo_namespace An alternative label for a class or property that has been used synonymously with the primary term name, but the usage is not strictly correct. https://github.com/information-artifact-ontology/ontology-metadata/issues/21 has related synonym has_related_synonym https://github.com/information-artifact-ontology/ontology-metadata/issues/21 id in_subset is part of my brain is part of my body (continuant parthood, two material entities) my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity) this day is part of this year (occurrent parthood) a core relation that holds between a part and its whole Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'. part_of BFO:0000050 external quality part_of part_of part of part of part_of http://www.obofoundry.org/ro/#OBO_REL:part_of https://wiki.geneontology.org/Part_of has part my body has part my brain (continuant parthood, two material entities) my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity) this year has part this day (occurrent parthood) a core relation that holds between a whole and its part Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part BFO:0000051 external quality has_part has_part has part has part has_part realized in this disease is realized in this disease course this fragility is realized in this shattering this investigator role is realized in this investigation is realized by realized_in [copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process realized in realizes this disease course realizes this disease this investigation realizes this investigator role this shattering realizes this fragility to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process realizes preceded by x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. is preceded by preceded_by http://www.obofoundry.org/ro/#OBO_REL:preceded_by BFO:0000062 external preceded_by preceded_by preceded by preceded by precedes x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. BFO:0000063 external precedes precedes precedes precedes occurs in b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t occurs_in unfolds in unfolds_in BFO:0000066 external occurs_in occurs_in Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant occurs in occurs in https://wiki.geneontology.org/Occurs_in site of [copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant contains process GOREL:0002004 external results_in_fission_of results_in_fission_of results in fission of results_in_fission_of results_in alaynecuzick 2018-10-12T13:24:02Z Used in FYPO as described in PATO best practices; placeholder relation to indicate normality/abnormality. which namespace? do we need all 3 triplicated again? qualifier inheres in this fragility inheres in this vase this fragility is a characteristic of this vase this red color inheres in this apple this red color is a characteristic of this apple a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence. a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence A dependent inheres in its bearer at all times for which the dependent exists. inheres_in Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. characteristic of inheres in bearer of this apple is bearer of this red color this vase is bearer of this fragility Inverse of characteristic_of a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist. bearer_of is bearer of RO:0000053 external bearer_of bearer_of bearer of bearer of has characteristic participates in this blood clot participates in this blood coagulation this input material (or this output material) participates in this process this investigator participates in this investigation a relation between a continuant and a process, in which the continuant is somehow involved in the process participates_in RO:0000056 external participates_in participates_in participates in participates in has participant this blood coagulation has participant this blood clot this investigation has participant this investigator this process has participant this input material (or this output material) a relation between a process and a continuant, in which the continuant is somehow involved in the process Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time. has_participant http://www.obofoundry.org/ro/#OBO_REL:has_participant RO:0000057 external has_participant has_participant has participant has participant this catalysis function is a function of this enzyme a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists. function_of is function of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. function of this red color is a quality of this apple a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence A quality inheres in its bearer at all times for which the quality exists. is quality of quality_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. quality of this investigator role is a role of this person a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists. is role of role_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. role of this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function) a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists. has_function has function this apple has quality this red color a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. has_quality has quality this person has role this investigator role (more colloquially: this person has this role of investigator) a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has_role has role a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence has disposition inverse of has disposition This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. disposition of A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B. 2017-05-24T09:30:46Z RO:0002013 external has_regulatory_component_activity has_regulatory_component_activity has regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B. 2017-05-24T09:31:01Z RO:0002014 external has_negative_regulatory_component_activity has_negative_regulatory_component_activity By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. has negative regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B. 2017-05-24T09:31:17Z By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. has positive regulatory component activity 2017-05-24T09:44:33Z A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. has component activity w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. 2017-05-24T09:49:21Z has component process 2017-09-17T13:52:24Z Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. directly regulated by Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. 2017-09-17T13:52:38Z directly negatively regulated by Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. 2017-09-17T13:52:47Z directly positively regulated by Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. 2017-09-22T14:14:36Z This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. has effector activity A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. David Osumi-Sutherland <= Primitive instance level timing relation between events before or simultaneous with x simultaneous with y iff ω(x) = ω(y) and ω(α ) = ω(α), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point and '=' indicates the same instance in time. David Osumi-Sutherland t1 simultaneous_with t2 iff:= t1 before_or_simultaneous_with t2 and not (t1 before t2) simultaneous with David Osumi-Sutherland X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) ends after David Osumi-Sutherland starts_at_end_of RO:0002087 external immediately_preceded_by immediately_preceded_by X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) immediately preceded by immediately preceded by David Osumi-Sutherland ends_at_start_of meets RO:0002090 external immediately_precedes immediately_precedes X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) immediately precedes immediately precedes RO:0002092 external happens_during happens_during happens during RO:0002093 external ends_during ends_during ends during x overlaps y if and only if there exists some z such that x has part z and z part of y http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y) RO:0002131 external overlaps overlaps overlaps overlaps true lactation SubClassOf 'only in taxon' some 'Mammalia' x only in taxon y if and only if x is in taxon y, and there is no other organism z such that y!=z a and x is in taxon z. The original intent was to treat this as a macro that expands to 'in taxon' only ?Y - however, this is not necessary if we instead have supplemental axioms that state that each pair of sibling tax have a disjointness axiom using the 'in taxon' property - e.g. 'in taxon' some Eukaryota DisjointWith 'in taxon' some Eubacteria only in taxon x is in taxon y if an only if y is an organism, and the relationship between x and y is one of: part of (reflexive), developmentally preceded by, derives from, secreted by, expressed. Connects a biological entity to its taxon of origin. in taxon w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity. For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit. RO:0002180 external has_component has_component has component has component p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q. GO Regulation precludes parthood; the regulatory process may not be within the regulated process. regulates (processual) false RO:0002211 external regulates regulates regulates regulates p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q. negatively regulates (process to process) RO:0002212 external negatively_regulates negatively_regulates negatively regulates negatively regulates p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q. positively regulates (process to process) RO:0002213 external positively_regulates positively_regulates positively regulates positively regulates mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974) osteoclast SubClassOf 'capable of' some 'bone resorption' A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. has function realized in For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)". RO:0002215 external capable_of capable_of capable of capable of c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p. has function in RO:0002216 external capable_of_part_of capable_of_part_of capable of part of capable of part of true Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends. https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. temporally related to inverse of starts with Chris Mungall Allen starts Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. Chris Mungall started by RO:0002224 external starts_with starts_with starts with starts with inverse of ends with Chris Mungall ends x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. Chris Mungall finished by RO:0002230 external ends_with ends_with ends with ends with x 'has starts location' y if and only if there exists some process z such that x 'starts with' z and z 'occurs in' y starts with process that occurs in RO:0002231 external has_start_location has_start_location has start location has start location x 'has end location' y if and only if there exists some process z such that x 'ends with' z and z 'occurs in' y ends with process that occurs in RO:0002232 external has_end_location has_end_location has end location has end location p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p. consumes RO:0002233 external has_input has_input has input has input https://wiki.geneontology.org/Has_input p has output c iff c is a participant in p, c is present at the end of p, and c is not present in the same state at the beginning of p. produces RO:0002234 external has_output has_output has output has output https://wiki.geneontology.org/Has_output A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision. c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes. acts upstream of A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway. c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process. affects acts upstream of or within https://wiki.geneontology.org/Acts_upstream_of_or_within p results in the developmental progression of s iff p is a developmental process and s is an anatomical entity and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss). This property and its subproperties are being used primarily for the definition of GO developmental processes. The property hierarchy mirrors the core GO hierarchy. In future we may be able to make do with a more minimal set of properties, but due to the way GO is currently structured we require highly specific relations to avoid incorrect entailments. To avoid this, the corresponding genus terms in GO should be declared mutually disjoint. RO:0002295 external results_in_developmental_progression_of results_in_developmental_progression_of results in developmental progression of results in developmental progression of every flower development (GO:0009908) results in development of some flower (PO:0009046) p 'results in development of' c if and only if p is a developmental process and p results in the state of c changing from its initial state as a primordium or anlage through its mature state and to its final state. http://www.geneontology.org/GO.doc.development.shtml RO:0002296 external results_in_development_of results_in_development_of results in development of results in development of an annotation of gene X to anatomical structure formation with results_in_formation_of UBERON:0000007 (pituitary gland) means that at the beginning of the process a pituitary gland does not exist and at the end of the process a pituitary gland exists. every "endocardial cushion formation" (GO:0003272) results_in_formation_of some "endocardial cushion" (UBERON:0002062) Chris Mungall GOC:mtg_berkeley_2013 RO:0002297 external results_in_formation_of results_in_formation_of results in formation of results in formation of results in formation of anatomical entity p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q. RO:0002304 external causally_upstream_of,_positive_effect causally_upstream_of,_positive_effect holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y causally upstream of, positive effect p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q. RO:0002305 external causally_upstream_of,_negative_effect causally_upstream_of,_negative_effect causally upstream of, negative effect q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w. Because part_of is transitive, inheres in is a sub-relation of characteristic of part of inheres in part of characteristic of part of true an annotation of gene X to cell differentiation with results_in_maturation_of CL:0000057 (fibroblast) means that at the end of the process the input cell that did not have features of a fibroblast, now has the features of a fibroblast. The relationship that links a specified entity with the process that results in an unspecified entity acquiring the features and characteristics of the specified entity GOC:mtg_berkeley_2013 RO:0002315 external results_in_acquisition_of_features_of results_in_acquisition_of_features_of results in acquisition of features of results in acquisition of features of A relationship that holds via some environmental process Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving the process of evolution. evolutionarily related to A mereological relationship or a topological relationship Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships mereotopologically related to A relationship that holds between entities participating in some developmental process (GO:0032502) Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development developmentally related to a particular instances of akt-2 enables some instance of protein kinase activity c enables p iff c is capable of p and c acts to execute p. catalyzes executes has is catalyzing is executing This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized. enables https://wiki.geneontology.org/Enables A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities. This is a grouping relation that collects relations used for the purpose of connecting structure and function functionally related to this relation holds between c and p when c is part of some c', and c' is capable of p. false part of structure that is capable of true c involved_in p if and only if c enables some process p', and p' is part of p actively involved in enables part of involved in https://wiki.geneontology.org/Involved_in inverse of enables enabled by https://wiki.geneontology.org/Enabled_by inverse of regulates regulated by (processual) RO:0002334 external regulated_by regulated_by regulated by regulated by inverse of negatively regulates RO:0002335 external negatively_regulated_by negatively_regulated_by negatively regulated by negatively regulated by inverse of positively regulates RO:0002336 external positively_regulated_by positively_regulated_by positively regulated by positively regulated by A relationship that holds via some process of localization Do not use this relation directly. It is a grouping relation. related via localization to This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from some initial location l to some destination. RO:0002338 external has_target_start_location has_target_start_location has target start location has target start location This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from a an initial location to some destination l. RO:0002339 external has_target_end_location has_target_end_location has target end location has target end location 'mitochondrial transport' results_in_transport_to_from_or_in some mitochondrion (GO:0005739) RO:0002344 external results_in_transport_to_from_or_in results_in_transport_to_from_or_in results in transport to from or in results in transport to from or in inverse of has input input of inverse of has output RO:0002353 external output_of output_of output of output of formed as result of inverse of upstream of RO:0002404 external causally_downstream_of causally_downstream_of causally downstream of causally downstream of RO:0002405 external immediately_causally_downstream_of immediately_causally_downstream_of immediately causally downstream of immediately causally downstream of p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q. indirectly activates indirectly positively regulates https://wiki.geneontology.org/Indirectly_positively_regulates p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q. indirectly inhibits indirectly negatively regulates https://wiki.geneontology.org/Indirectly_negatively_regulates relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. To define causal relations in an activity-flow type network, we make use of 3 primitives: * Temporal: how do the intervals of the two occurrents relate? * Is the causal relation regulatory? * Is the influence positive or negative? The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. Each of these 3 primitives can be composed to yield a cross-product of different relation types. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causally related to relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. https://en.wikipedia.org/wiki/Causality p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q. RO:0002411 external causally_upstream_of causally_upstream_of causally upstream of causally upstream of p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q. RO:0002412 external immediately_causally_upstream_of immediately_causally_upstream_of immediately causally upstream of immediately causally upstream of p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q. We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2 influences (processual) RO:0002418 external affects causally_upstream_of_or_within causally_upstream_of_or_within causally upstream of or within inverse of causally upstream of or within RO:0002427 external causally_downstream_of_or_within causally_downstream_of_or_within causally downstream of or within c involved in regulation of p if c is involved in some p' and p' regulates some p involved in regulation of c involved in regulation of p if c is involved in some p' and p' positively regulates some p involved in positive regulation of c involved in regulation of p if c is involved in some p' and p' negatively regulates some p involved in negative regulation of c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p OWL does not allow defining object properties via a Union involved in or reguates involved in or involved in regulation of A protein that enables activity in a cytosol. c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure. executes activity in enables activity in is active in https://wiki.geneontology.org/Is_active_in true c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure. A relationship that holds between two entities in which the processes executed by the two entities are causally connected. This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact. Considering relabeling as 'pairwise interacts with' Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules. in pairwise interaction with interacts with http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ http://purl.obolibrary.org/obo/MI_0914 An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other. binds molecularly binds with molecularly interacts with http://purl.obolibrary.org/obo/MI_0915 Axiomatization to GO to be added later An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y. phosphorylates The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B. molecularly controls directly regulates activity of The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B. directly inhibits molecularly decreases activity of directly negatively regulates activity of The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B. directly activates molecularly increases activity of directly positively regulates activity of This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning. helper property (not for use in curation) p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c. has part that occurs in true is kinase activity Do not use this relation directly. It is ended as a grouping for a diverse set of relations, typically connecting an anatomical entity to a biological process or developmental stage. relation between physical entity and a process or stage x existence starts during y if and only if the time point at which x starts is after or equivalent to the time point at which y starts and before or equivalent to the time point at which y ends. Formally: x existence starts during y iff α(x) >= α(y) & α(x) <= ω(y). existence starts during x starts ends with y if and only if the time point at which x starts is equivalent to the time point at which y starts. Formally: x existence starts with y iff α(x) = α(y). existence starts with x existence overlaps y if and only if either (a) the start of x is part of y or (b) the end of x is part of y. Formally: x existence starts and ends during y iff (α(x) >= α(y) & α(x) <= ω(y)) OR (ω(x) <= ω(y) & ω(x) >= α(y)) The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription. existence overlaps x existence ends during y if and only if the time point at which x ends is before or equivalent to the time point at which y ends and after or equivalent to the point at which y starts. Formally: x existence ends during y iff ω(x) <= ω(y) and ω(x) >= α(y). The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription. existence ends during x existence ends with y if and only if the time point at which x ends is equivalent to the time point at which y ends. Formally: x existence ends with y iff ω(x) = ω(y). The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription. existence ends with x existence starts during or after y if and only if the time point at which x starts is after or equivalent to the time point at which y starts. Formally: x existence starts during or after y iff α (x) >= α (y). The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription. existence starts during or after x existence ends during or before y if and only if the time point at which x ends is before or equivalent to the time point at which y ends. The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription. existence ends during or before A relationship between a material entity and a process where the material entity has some causal role that influences the process causal agent in process p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causal relation between processes depends on q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2 This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C. towards The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causal relation between entities causally influenced by (entity-centric) causally influenced by interaction relation helper property http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ molecular interaction relation helper property The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size). causally influences (entity-centric) causally influences A relation that holds between an attribute or a qualifier and another attribute. This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the "modifiers" are. has modifier p directly regulates q iff p is immediately causally upstream of q and p regulates q. directly regulates (processual) RO:0002578 external directly_regulates directly_regulates directly regulates gland SubClassOf 'has part structure that is capable of' some 'secretion by cell' s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p has part structure that is capable of p results in breakdown of c if and only if the execution of p leads to c no longer being present at the end of p results in breakdown of RO:0002588 external results_in_assembly_of results_in_assembly_of results in assembly of RO:0002590 external results_in_disassembly_of results_in_disassembly_of results in disassembly of p results in organization of c iff p results in the assembly, arrangement of constituent parts, or disassembly of c RO:0002592 external results_in_organization_of results_in_organization_of results in organization of A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causal relation between material entity and a process pyrethroid -> growth Holds between c and p if and only if c is capable of some activity a, and a regulates p. capable of regulating Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p. capable of negatively regulating renin -> arteriolar smooth muscle contraction Holds between c and p if and only if c is capable of some activity a, and a positively regulates p. capable of positively regulating Inverse of 'causal agent in process' RO:0002608 external process_has_causal_agent process_has_causal_agent process has causal agent p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q. directly positively regulates (process to process) RO:0002629 external directly_positively_regulates directly_positively_regulates directly positively regulates https://wiki.geneontology.org/Directly_positively_regulates p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q. directly negatively regulates (process to process) RO:0002630 external directly_negatively_regulates directly_negatively_regulates directly negatively regulates https://wiki.geneontology.org/Directly_negatively_regulates a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix. RO:0003000 external produces produces Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue. produces produces a produced_by b iff some process that occurs_in b has_output a. RO:0003001 external produced_by produced_by produced by produced by p 'has primary input ot output' c iff either (a) p 'has primary input' c or (b) p 'has primary output' c. 2018-12-13T11:26:17Z RO:0004007 external has_primary_input_or_output has_primary_input_or_output has primary input or output p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c. 2018-12-13T11:26:32Z RO:0004008 external has_primary_output has_primary_output has primary output p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c. GOC:dph GOC:kva GOC:pt PMID:27812932 p has primary input c if (a) p has input c and (b) the goal of process is to modify, consume, or transform c. 2018-12-13T11:26:56Z RO:0004009 external has_primary_input has_primary_input has primary input p has primary input c if (a) p has input c and (b) the goal of process is to modify, consume, or transform c. GOC:dph GOC:kva GOC:pt PMID:27812932 Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P. 2018-01-25T23:20:13Z enables subfunction 2018-01-26T23:49:30Z acts upstream of or within, positive effect https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect 2018-01-26T23:49:51Z acts upstream of or within, negative effect https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive 2018-01-26T23:53:14Z acts upstream of, positive effect https://wiki.geneontology.org/Acts_upstream_of,_positive_effect c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative 2018-01-26T23:53:22Z acts upstream of, negative effect https://wiki.geneontology.org/Acts_upstream_of,_negative_effect 2018-03-13T23:55:05Z causally upstream of or within, negative effect https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect 2018-03-13T23:55:19Z causally upstream of or within, positive effect The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B. regulates activity of p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q. 2022-09-26T06:07:17Z indirectly causally upstream of p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q. 2022-09-26T06:08:01Z indirectly regulates q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. different in magnitude relative to q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. https://orcid.org/0000-0002-6601-2165 q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'. increased in magnitude relative to q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. https://orcid.org/0000-0002-6601-2165 q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'. decreased in magnitude relative to q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. https://orcid.org/0000-0002-6601-2165 has relative magnitude q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality. reciprocal of q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. https://orcid.org/0000-0002-6601-2165 A diagnostic testing device utilizes a specimen. X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y. A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input. See github ticket https://github.com/oborel/obo-relations/issues/497 2021-11-08T12:00:00Z utilizes device utilizes material A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C. RO:0019000 gene_ontology regulates_characteristic regulates_characteristic regulates characteristic A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C. RO:0019001 gene_ontology positively_regulates_characteristic positively_regulates_characteristic positively regulates characteristic A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C. RO:0019002 gene_ontology negatively_regulates_characteristic negatively_regulates_characteristic negatively regulates characteristic p has anatomical participant c iff p has participant c, and c is an anatomical entity 2018-09-26T01:08:58Z RO:0040036 external results_in_changes_to_anatomical_or_cellular_structure results_in_changes_to_anatomical_or_cellular_structure results in changes to anatomical or cellular structure OBSOLETE. q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. RO:0015008 quality decreased_in_magnitude_relative_to Refer to https://github.com/pato-ontology/pato/issues/454 for obsoletion reason. This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'. obsolete decreased_in_magnitude_relative_to true OBSOLETE. q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. PATOC:CJM RO:0015010 quality has_relative_magnitude Refer to https://github.com/pato-ontology/pato/issues/454. obsolete has_relative_magnitude true OBSOLETE. q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. RO:0015007 quality increased_in_magnitude_relative_to Refer to https://github.com/pato-ontology/pato/issues/454. This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'. obsolete increased_in_magnitude_relative_to true OBSOLETE. q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale. PATOC:CJM RO:0002503 quality towards Consider using RO:0002503 instead. See https://github.com/pato-ontology/pato/issues/454 obsolete towards true Inverse of part_of. sequence has_part Example: operon has_part gene. has_part Inverse of part_of. http://precedings.nature.com/documents/3495/version/1 entity Entity Julius Caesar Verdi’s Requiem the Second World War your body mass index BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) entity Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf per discussion with Barry Smith An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) continuant Continuant An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] continuant Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] occurrent Occurrent An entity that has temporal parts and that happens, unfolds or develops through time. BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] occurrent Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. per discussion with Barry Smith Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] ic IndependentContinuant a chair a heart a leg a molecule a spatial region an atom an orchestra. an organism the bottom right portion of a human torso the interior of your mouth A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. independent continuant b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] process Process a process of cell-division, \ a beating of the heart a process of meiosis a process of sleeping the course of a disease the flight of a bird the life of an organism your process of aging. An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. process p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] disposition Disposition an atom of element X has the disposition to decay to an atom of element Y certain people have a predisposition to colon cancer children are innately disposed to categorize objects in certain ways. the cell wall is disposed to filter chemicals in endocytosis and exocytosis BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] disposition b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] realizable RealizableEntity the disposition of this piece of metal to conduct electricity. the disposition of your blood to coagulate the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] realizable realizable entity To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] quality sdc SpecificallyDependentContinuant Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key of one-sided specifically dependent continuants: the mass of this tomato of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. the disposition of this fish to decay the function of this heart: to pump blood the mutual dependence of proton donors and acceptors in chemical reactions [79 the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction the pink color of a medium rare piece of grilled filet mignon at its center the role of being a doctor the shape of this hole. the smell of this portion of mozzarella A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. characteristic specifically dependent continuant https://github.com/OBOFoundry/COB/issues/65 https://github.com/oborel/obo-relations/pull/284 b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. per discussion with Barry Smith (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. role gdc GenericallyDependentContinuant The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. the pdf file on your laptop, the pdf file that is a copy thereof on my laptop the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] generically dependent continuant b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] function material MaterialEntity a flame a forest fire a human being a hurricane a photon a puff of smoke a sea wave a tornado an aggregate of human beings. an energy wave an epidemic the undetached arm of a human being An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] material entity A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] A part of a multicellular organism that is either an immaterial entity or a material entity with granularity above the level of a protein complex. Or, a substance produced by a multicellular organism with granularity above the level of a protein complex. anatomical entity A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species. 0 C12H12N2O3 InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N 232.23530 232.08479 CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 CHEBI:7456 CAS:389-08-2 DrugBank:DB00779 Drug_Central:1875 KEGG:C05079 KEGG:D00183 LINCS:LSM-5590 PDBeChem:NIX PMID:11321869 PMID:12002106 PMID:12399485 PMID:12702698 PMID:14107587 PMID:16107187 PMID:16423473 PMID:16667857 PMID:16803589 PMID:17132068 PMID:17631104 PMID:18788798 PMID:19071706 PMID:28166217 Patent:BE612258 Patent:US3590036 Reaxys:750515 VSDB:1880 Wikipedia:Nalidixic_Acid 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid NALIDIXIC ACID Nalidixic acid chebi_ontology 1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid 1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid 3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one acide nalidixique acido nalidixico acidum nalidixicum nalidixic acid CHEBI:100147 nalidixic acid CAS:389-08-2 ChemIDplus CAS:389-08-2 KEGG COMPOUND Drug_Central:1875 DrugCentral PMID:11321869 Europe PMC PMID:12002106 Europe PMC PMID:12399485 Europe PMC PMID:12702698 Europe PMC PMID:14107587 Europe PMC PMID:16107187 Europe PMC PMID:16423473 Europe PMC PMID:16667857 Europe PMC PMID:16803589 Europe PMC PMID:17132068 Europe PMC PMID:17631104 Europe PMC PMID:18788798 Europe PMC PMID:19071706 Europe PMC PMID:28166217 Europe PMC Reaxys:750515 Reaxys 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid IUPAC NALIDIXIC ACID ChEMBL Nalidixic acid KEGG_COMPOUND 1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid ChemIDplus 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure ChemIDplus 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ChEMBL 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid ChemIDplus 1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid ChemIDplus 3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one ChemIDplus acide nalidixique ChemIDplus acido nalidixico ChemIDplus acidum nalidixicum ChemIDplus nalidixic acid ChemIDplus A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. 0 C15H20O6 InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 LINOMUASTDIRTM-QGRHZQQGSA-N 296.319 296.12599 [H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1 CAS:51481-10-8 Chemspider:36584 KEGG:C09747 KNApSAcK:C00003201 LIPID_MAPS_instance:LMPR0103180002 PMID:28780485 PMID:30284112 PMID:30714884 PMID:30760085 PMID:30802751 PMID:30806951 PMID:30841652 PMID:31394401 PMID:31817218 PMID:31867960 PMID:31960350 PMID:32218143 PMID:32260237 PMID:32560237 PMID:32745571 PMID:32805342 PMID:32851525 PMID:32880717 PMID:32930227 Wikipedia:Vomitoxin 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one chebi_ontology 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one 4-Deoxynivalenol 4-Desoxynivalenol DON Dehydronivalenol Desoxynivalenol Vomitoxin CHEBI:10022 deoxynivalenol CAS:51481-10-8 ChemIDplus CAS:51481-10-8 KEGG COMPOUND LIPID_MAPS_instance:LMPR0103180002 LIPID MAPS PMID:28780485 Europe PMC PMID:30284112 Europe PMC PMID:30714884 Europe PMC PMID:30760085 Europe PMC PMID:30802751 Europe PMC PMID:30806951 Europe PMC PMID:30841652 Europe PMC PMID:31394401 Europe PMC PMID:31817218 Europe PMC PMID:31867960 Europe PMC PMID:31960350 Europe PMC PMID:32218143 Europe PMC PMID:32260237 Europe PMC PMID:32560237 Europe PMC PMID:32745571 Europe PMC PMID:32805342 Europe PMC PMID:32851525 Europe PMC PMID:32880717 Europe PMC PMID:32930227 Europe PMC 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one IUPAC 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one ChemIDplus 4-Deoxynivalenol ChemIDplus 4-Desoxynivalenol ChemIDplus DON KEGG_COMPOUND Dehydronivalenol ChemIDplus Desoxynivalenol ChemIDplus Vomitoxin KEGG_COMPOUND A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. 0 C16H14F3N5O InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1 BCEHBSKCWLPMDN-MGPLVRAMSA-N 349.31050 349.11504 C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F CHEBI:127308 Beilstein:7694998 CAS:137234-62-9 DrugBank:DB00582 Drug_Central:2846 KEGG:C07622 KEGG:D00578 LINCS:LSM-5244 PMID:12940129 PMID:22718362 PMID:23392902 PMID:23527908 PMID:23766489 PMID:24102553 Patent:EP440372 Patent:US5278175 Wikipedia:Voriconazole (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol voriconazole chebi_ontology (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol VCZ Vfend voriconazol voriconazole voriconazolum CHEBI:10023 voriconazole Beilstein:7694998 Beilstein CAS:137234-62-9 ChemIDplus CAS:137234-62-9 DrugBank CAS:137234-62-9 KEGG COMPOUND CAS:137234-62-9 KEGG DRUG Drug_Central:2846 DrugCentral PMID:12940129 Europe PMC PMID:22718362 Europe PMC PMID:23392902 Europe PMC PMID:23527908 Europe PMC PMID:23766489 Europe PMC PMID:24102553 Europe PMC (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol IUPAC voriconazole UniProt (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol ChEBI (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol ChemIDplus VCZ DrugBank Vfend ChEBI voriconazol WHO_MedNet voriconazole ChemIDplus voriconazole WHO_MedNet voriconazolum WHO_MedNet A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. 0 C17H18FN3O3 InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) MYSWGUAQZAJSOK-UHFFFAOYSA-N 331.34150 331.13322 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O CHEBI:102718 CHEBI:3717 CHEBI:41638 Beilstein:3568352 CAS:85721-33-1 DrugBank:DB00537 Drug_Central:659 HMDB:HMDB0014677 KEGG:C05349 KEGG:D00186 LINCS:LSM-5226 PDBeChem:CPF PMID:10397494 PMID:10737746 Patent:DE3142854 Patent:US4670444 Reaxys:3568352 VSDB:1763 Wikipedia:Ciprofloxacin 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Ciprofloxacin ciprofloxacin chebi_ontology 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ciprofloxacin ciprofloxacine ciprofloxacino ciprofloxacinum CHEBI:100241 ciprofloxacin Beilstein:3568352 Beilstein CAS:85721-33-1 ChemIDplus CAS:85721-33-1 KEGG COMPOUND Drug_Central:659 DrugCentral PMID:10397494 ChEMBL PMID:10737746 ChEMBL Reaxys:3568352 Reaxys 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid IUPAC Ciprofloxacin KEGG_COMPOUND ciprofloxacin ChEMBL 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID PDBeChem 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid ChEMBL 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ChEMBL 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ChemIDplus 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid ChEMBL 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid ChEMBL 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ChEMBL ciprofloxacin ChemIDplus ciprofloxacine ChemIDplus ciprofloxacino ChemIDplus ciprofloxacinum ChemIDplus A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. 0 C16H18FN3O3 InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23) OGJPXUAPXNRGGI-UHFFFAOYSA-N 319.33080 319.13322 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 CHEBI:7629 Beilstein:567897 CAS:70458-96-7 DrugBank:DB01059 Drug_Central:1967 Gmelin:1576626 HMDB:HMDB0015192 KEGG:C06687 KEGG:D00210 LINCS:LSM-5286 PMID:3317294 PMID:3908074 PMID:6211142 PMID:6224685 PMID:6234465 PMID:6454381 PMID:6461606 Patent:BE863429 Patent:DE2840910 Patent:US4146719 Patent:US4292317 Reaxys:567897 VSDB:1831 Wikipedia:Norfloxacin 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid chebi_ontology 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid NFLX norfloxacin norfloxacine norfloxacino norfloxacinum CHEBI:100246 norfloxacin Beilstein:567897 Beilstein CAS:70458-96-7 ChemIDplus CAS:70458-96-7 KEGG COMPOUND Drug_Central:1967 DrugCentral Gmelin:1576626 Gmelin PMID:3317294 Europe PMC PMID:3908074 Europe PMC PMID:6211142 Europe PMC PMID:6224685 Europe PMC PMID:6234465 Europe PMC PMID:6454381 Europe PMC PMID:6461606 Europe PMC Reaxys:567897 Reaxys 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid IUPAC 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ChemIDplus 1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure ChemIDplus 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ChemIDplus NFLX KEGG_DRUG norfloxacin KEGG_DRUG norfloxacine ChemIDplus norfloxacino ChemIDplus norfloxacinum ChemIDplus A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. 0 C11H13N3O3S InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N 267.30400 267.06776 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C CHEBI:9343 Beilstein:263871 CAS:127-69-5 DrugBank:DB00263 Drug_Central:2529 Gmelin:864477 KEGG:C07318 KEGG:D00450 LINCS:LSM-3120 PMID:1861917 PMID:4960234 PMID:7356572 Patent:US2430094 Wikipedia:Sulfisoxazole 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide chebi_ontology 3,4-Dimethyl-5-sulfanilamidoisoxazole 3,4-Dimethyl-5-sulfonamidoisoxazole 3,4-Dimethyl-5-sulphanilamidoisoxazole 3,4-Dimethyl-5-sulphonamidoisoxazole 3,4-Dimethylisoxazole-5-sulfanilamide 3,4-Dimethylisoxazole-5-sulphanilamide 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide 5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole 5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole 5-Sulfanilamido-3,4-dimethylisoxazole 5-Sulphanilamido-3,4-dimethyl-isoxazole N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide Sulfadimethylisoxazole Sulfafurazol Sulfaisoxazole Sulfasoxazole Sulfisonazole Sulfisoxasole Sulfisoxazol Sulfofurazole Sulphadimethylisoxazole Sulphafurazol Sulphafurazole Sulphaisoxazole Sulphisoxazol Sulphofurazole sulfafurazole sulfafurazolum CHEBI:102484 sulfisoxazole Beilstein:263871 Beilstein CAS:127-69-5 ChemIDplus CAS:127-69-5 NIST Chemistry WebBook Drug_Central:2529 DrugCentral Gmelin:864477 Gmelin PMID:1861917 Europe PMC PMID:4960234 Europe PMC PMID:7356572 Europe PMC 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide IUPAC 3,4-Dimethyl-5-sulfanilamidoisoxazole ChemIDplus 3,4-Dimethyl-5-sulfonamidoisoxazole ChemIDplus 3,4-Dimethyl-5-sulphanilamidoisoxazole ChemIDplus 3,4-Dimethyl-5-sulphonamidoisoxazole ChemIDplus 3,4-Dimethylisoxazole-5-sulfanilamide ChemIDplus 3,4-Dimethylisoxazole-5-sulphanilamide ChemIDplus 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide NIST_Chemistry_WebBook 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide ChemIDplus 5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole ChemIDplus 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole ChemIDplus 5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole ChemIDplus 5-Sulfanilamido-3,4-dimethylisoxazole ChemIDplus 5-Sulphanilamido-3,4-dimethyl-isoxazole ChemIDplus N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide ChemIDplus N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide ChemIDplus N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide ChemIDplus Sulfadimethylisoxazole DrugBank Sulfafurazol DrugBank Sulfaisoxazole DrugBank Sulfasoxazole DrugBank Sulfisonazole DrugBank Sulfisoxasole DrugBank Sulfisoxazol DrugBank Sulfofurazole DrugBank Sulphadimethylisoxazole NIST_Chemistry_WebBook Sulphafurazol DrugBank Sulphafurazole DrugBank Sulphaisoxazole DrugBank Sulphisoxazol DrugBank Sulphofurazole DrugBank sulfafurazole KEGG_DRUG sulfafurazolum ChemIDplus Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV. -1 0.000548579903 0.0 KEGG:C05359 PMID:21614077 Wikipedia:Electron electron chebi_ontology Elektron beta beta(-) beta-particle e e(-) e- negatron CHEBI:10545 electron PMID:21614077 Europe PMC electron ChEBI electron IUPAC electron KEGG_COMPOUND Elektron ChEBI beta IUPAC beta(-) ChEBI beta-particle IUPAC e IUPAC e(-) UniProt e- KEGG_COMPOUND negatron IUPAC 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6- CDAISMWEOUEBRE-CDRYSYESSA-N 180.15588 180.06339 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:26614 Beilstein:2206312 CAS:488-59-5 Gmelin:561300 KEGG:C06153 PMID:24352657 Reaxys:2206312 scyllo-Inositol scyllo-inositol chebi_ontology (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol 1,3,5/2,4,6-cyclohexanehexol Cocositol Quercinitol Scyllitol CHEBI:10642 scyllo-inositol Beilstein:2206312 Beilstein CAS:488-59-5 ChemIDplus CAS:488-59-5 KEGG COMPOUND CAS:488-59-5 NIST Chemistry WebBook Gmelin:561300 Gmelin PMID:24352657 Europe PMC Reaxys:2206312 Reaxys scyllo-Inositol KEGG_COMPOUND scyllo-inositol IUPAC scyllo-inositol UniProt (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol IUPAC 1,3,5/2,4,6-cyclohexanehexol IUPAC Cocositol NIST_Chemistry_WebBook Quercinitol ChemIDplus Scyllitol ChemIDplus An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin. PMID:26717596 chebi_ontology CHEBI:130181 calmodulin antagonist PMID:26717596 Europe PMC Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. chebi_ontology Mycoplasma genitalium metabolites CHEBI:131604 Mycoplasma genitalium metabolite Mycoplasma genitalium metabolites ChEBI A carboxylic acid anion resulting from the deprotonation of the carboxy group of a dicarboxylic acid monoester. chebi_ontology CHEBI:131605 dicarboxylic acid monoester(1-) An echinocandin initially isolated as a very minor bioactive fermentation product of Glarea lozoyensis (originally known as Zalerion arboricola). Subsequent random mutagenesis work and optimisation of the fermentation medium permitted the industrial production of pneumocandin B0, which is used as the starting point for the synthesis of the antifungal drug caspofungin. 0 C50H80N8O17 InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25-,26+,27+,30+,31-,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1 DQXPFAADCTZLNL-FXDJFZINSA-N 1065.216 1064.56414 [C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](O)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CC(N)=O)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H] CAS:135575-42-7 PMID:24086376 PMID:24270605 PMID:25527531 Reaxys:9316734 Wikipedia:Pneumocandin_Bo (10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide chebi_ontology L 688,786 L-688,786 L-688786 pneumocandin B(0) pneumocardin B(0) CHEBI:131609 pneumocandin B0 CAS:135575-42-7 ChemIDplus PMID:24086376 Europe PMC PMID:24270605 Europe PMC PMID:25527531 Europe PMC Reaxys:9316734 Reaxys (10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide IUPAC L 688,786 ChemIDplus L-688,786 ChemIDplus L-688786 ChemIDplus pneumocandin B(0) ChemIDplus pneumocardin B(0) ChemIDplus Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents. -1 CHO3R 61.017 60.99257 O*C([O-])=O chebi_ontology a hydroxy polyunsaturated fatty acid hydroxy PUFA hydroxy polyunsaturated fatty acid anions CHEBI:131871 hydroxy polyunsaturated fatty acid anion a hydroxy polyunsaturated fatty acid UniProt hydroxy PUFA SUBMITTER hydroxy polyunsaturated fatty acid anions ChEBI A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens. chebi_ontology dicarboxylic acids and derivatives CHEBI:131927 dicarboxylic acids and O-substituted derivatives dicarboxylic acids and derivatives ChEBI Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group. chebi_ontology hydroxyquinones CHEBI:132130 hydroxyquinone hydroxyquinones ChEBI A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring. chebi_ontology CHEBI:132142 1,4-naphthoquinones Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group. Wikipedia:Hydroxynaphthoquinone chebi_ontology hydroxynaphthoquinones CHEBI:132155 hydroxynaphthoquinone hydroxynaphthoquinones ChEBI Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group. chebi_ontology hydroxy-1,4-naphthoquinones CHEBI:132157 hydroxy-1,4-naphthoquinone hydroxy-1,4-naphthoquinones ChEBI Any aromatic amide obtained by acylation of aniline. 0 C7H6NOR 120.12860 120.04494 [*]C(=O)Nc1ccccc1 KEGG:C01402 PMID:23535982 PMID:23968552 PMID:24273122 PMID:6205897 chebi_ontology N-phenyl amide N-phenyl amides an anilide CHEBI:13248 anilide PMID:23535982 Europe PMC PMID:23968552 Europe PMC PMID:24273122 Europe PMC PMID:6205897 Europe PMC N-phenyl amide ChEBI N-phenyl amides ChEBI an anilide UniProt A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties. Wikipedia:Bleach chebi_ontology CHEBI:132717 bleaching agent A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of oxytetracycline; major species at pH 7.3. 0 C22H24N2O9 InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 IWVCMVBTMGNXQD-PXOLEDIWSA-N 460.435 460.14818 [C@@]12([C@](C(=C3C(C=4C(=CC=CC4[C@@]([C@]3([C@@H]1O)[H])(C)O)O)=O)O)(C(C(C(N)=O)=C([C@H]2[NH+](C)C)[O-])=O)O)[H] MetaCyc:CPD-19255 (1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate chebi_ontology oxytetracycline CHEBI:133011 oxytetracycline zwitterion (1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate IUPAC oxytetracycline UniProt Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives. chebi_ontology chromenochromenes CHEBI:133135 chromenochromene chromenochromenes ChEBI An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.). -1 C22H22ClN2O8 InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p-1/t7-,8-,15-,21-,22-/m0/s1 CYDMQBQPVICBEU-XRNKAMNCSA-M 477.872 477.10702 C1=CC(=C2C(=C1Cl)[C@@]([C@@]3(C(C2=O)=C([C@]4([C@@](C3)([C@@H](C(=C(C4=O)C(N)=O)[O-])[NH+](C)C)[H])O)O)[H])(C)O)[O-] MetaCyc:CPD-19258 (5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate) chebi_ontology 7-chlorotetracycline CHEBI:133598 chlortetracycline(1-) (5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate) IUPAC 7-chlorotetracycline UniProt A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. 0 C12H12N4O3 InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17) CULUWZNBISUWAS-UHFFFAOYSA-N 260.249 260.09094 C1=C(C=CC=C1)CNC(CN2C(=NC=C2)[N+]([O-])=O)=O Beilstein:551486 CAS:22994-85-0 Drug_Central:322 KEGG:D02489 PMID:26760092 PMID:26760093 PMID:26760094 PMID:26760095 PMID:26974551 PMID:26982179 PMID:27001816 PMID:27067322 PMID:27158908 PMID:27161638 PMID:27223650 PMID:27246447 PMID:27376278 PMID:27487264 PMID:27488437 PMID:27550362 PMID:27619190 PMID:27688600 Reaxys:551486 Wikipedia:Benznidazole N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide chebi_ontology 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide N-Benzyl-2-nitroimidazol-1-yl-acetamide N-Benzyl-2-nitroimidazole-1-acetamide benznidazol benznidazole benznidazolum CHEBI:133833 benznidazole Beilstein:551486 ChemIDplus CAS:22994-85-0 ChemIDplus CAS:22994-85-0 KEGG DRUG Drug_Central:322 DrugCentral PMID:26760092 Europe PMC PMID:26760093 Europe PMC PMID:26760094 Europe PMC PMID:26760095 Europe PMC PMID:26974551 Europe PMC PMID:26982179 Europe PMC PMID:27001816 Europe PMC PMID:27067322 Europe PMC PMID:27158908 Europe PMC PMID:27161638 Europe PMC PMID:27223650 Europe PMC PMID:27246447 Europe PMC PMID:27376278 Europe PMC PMID:27487264 Europe PMC PMID:27488437 Europe PMC PMID:27550362 Europe PMC PMID:27619190 Europe PMC PMID:27688600 Europe PMC Reaxys:551486 Reaxys N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide IUPAC 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide ChemIDplus N-Benzyl-2-nitroimidazol-1-yl-acetamide ChemIDplus N-Benzyl-2-nitroimidazole-1-acetamide ChemIDplus benznidazol ChemIDplus benznidazole ChemIDplus benznidazole KEGG_DRUG benznidazolum ChemIDplus Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. Wikipedia:Volatile_organic_compound chebi_ontology VOC VOCs volatile organic compounds CHEBI:134179 volatile organic compound VOC ChEBI VOCs ChEBI volatile organic compounds ChEBI 0 C15H24N4O6S2 InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 AVAACINZEOAHHE-VFZPANTDSA-N 420.507 420.11373 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)CNS(N)(=O)=O)=C(N2C1=O)C(O)=O CAS:148016-81-3 Drug_Central:4149 HMDB:HMDB0041883 chebi_ontology doribax doripenem hydrate CHEBI:135928 doripenem CAS:148016-81-3 DrugCentral Drug_Central:4149 DrugCentral doribax DrugCentral doripenem hydrate DrugCentral A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent. glycols chebi_ontology Glykol CHEBI:13643 glycol glycols IUPAC Glykol ChEBI Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds. 0 CHNO2R2 59.024 59.00073 C(*)(=[N+](O)[O-])* chebi_ontology aci-nitro compounds oxime N-oxide oxime N-oxides CHEBI:136622 aci-nitro compound aci-nitro compounds ChEBI oxime N-oxide ChEBI oxime N-oxides ChEBI Any inhibitor of S100 calcium-binding protein B. Wikipedia:S100B chebi_ontology S100 calcium-binding protein B inhibitors S100B inhibitor S100B inhibitors CHEBI:136651 S100 calcium-binding protein B inhibitor S100 calcium-binding protein B inhibitors ChEBI S100B inhibitor ChEBI S100B inhibitors ChEBI A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent. PMID:26449612 chebi_ontology pro-agents proagent proagents CHEBI:136859 pro-agent PMID:26449612 Europe PMC pro-agents ChEBI proagent ChEBI proagents ChEBI An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3. +1 H2NR2 16.023 16.01872 *[NH+](*)[H] MetaCyc:Secondary-Amines chebi_ontology a secondary amine secondary amine(1+) CHEBI:137419 secondary ammonium ion a secondary amine UniProt secondary amine(1+) ChEBI An aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3. -1 C7H6NO3 InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)/p-1 WUBBRNOQWQTFEX-UHFFFAOYSA-M 152.128 152.03532 C1=C(N)C=C(O)C(C([O-])=O)=C1 MetaCyc:CPD-8817 PMID:23118010 Reaxys:3906055 chebi_ontology 4-aminosalicylate CHEBI:137598 4-aminosalicylate(1-) PMID:23118010 SUBMITTER Reaxys:3906055 Reaxys 4-aminosalicylate UniProt An organic cation obtained by protonation of the amino group of any tertiary amino compound. +1 HNR3 15.015 15.01090 [NH+](*)(*)* chebi_ontology a tertiary amine tertiary amine(1+) tertiary ammonium ions CHEBI:137982 tertiary ammonium ion a tertiary amine UniProt tertiary amine(1+) ChEBI tertiary ammonium ions ChEBI Any compound that can disrupt the functions of the endocrine (hormone) system PMID:27929035 PMID:28356401 PMID:28526231 Wikipedia:Endocrine_disruptor chebi_ontology endocrine disrupting chemical endocrine disrupting chemicals endocrine disrupting compound endocrine disrupting compounds endocrine disruptors endocrine-disrupting chemical endocrine-disrupting chemicals hormonally active agent hormonally active agents CHEBI:138015 endocrine disruptor PMID:27929035 Europe PMC PMID:28356401 Europe PMC PMID:28526231 Europe PMC endocrine disrupting chemical ChEBI endocrine disrupting chemicals ChEBI endocrine disrupting compound ChEBI endocrine disrupting compounds ChEBI endocrine disruptors ChEBI endocrine-disrupting chemical ChEBI endocrine-disrupting chemicals ChEBI hormonally active agent ChEBI hormonally active agents ChEBI A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water. Wikipedia:Mineral_acid chebi_ontology inorganic acids mineral acid mineral acids CHEBI:138103 inorganic acid inorganic acids ChEBI mineral acid ChEBI mineral acids ChEBI Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa). Wikipedia:https://en.wikipedia.org/wiki/Gas chebi_ontology gas molecular entities gaseous molecular entities gaseous molecular entity CHEBI:138675 gas molecular entity gas molecular entities ChEBI gaseous molecular entities ChEBI gaseous molecular entity ChEBI A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry. 0 C13H11NO5 InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N 261.23010 261.06372 CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 CHEBI:44731 CHEBI:7848 Beilstein:620635 CAS:14698-29-4 Drug_Central:2024 Gmelin:2609419 KEGG:C11342 KEGG:D02301 LINCS:LSM-5811 PDBeChem:OXI PMID:1245092 PMID:1650428 PMID:19596082 PMID:20151406 PMID:22670590 PMID:23353085 PMID:23773949 PMID:23816421 PMID:26678217 PMID:26920300 PMID:29438107 PMID:4616804 Patent:US3287458 Reaxys:620635 VSDB:1879 Wikipedia:Oxolinic_acid 5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid chebi_ontology 1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid 1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid 5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid OA acide oxolinique acido oxolinico acidum oxolinicum oxolinic acid CHEBI:138856 oxolinic acid Beilstein:620635 Beilstein CAS:14698-29-4 ChemIDplus CAS:14698-29-4 KEGG COMPOUND Drug_Central:2024 DrugCentral Gmelin:2609419 Gmelin PMID:1245092 Europe PMC PMID:1650428 Europe PMC PMID:19596082 Europe PMC PMID:20151406 Europe PMC PMID:22670590 Europe PMC PMID:23353085 Europe PMC PMID:23773949 Europe PMC PMID:23816421 Europe PMC PMID:26678217 Europe PMC PMID:26920300 Europe PMC PMID:29438107 Europe PMC PMID:4616804 Europe PMC Reaxys:620635 Reaxys 5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid IUPAC 1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid ChemIDplus 1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid ChemIDplus 5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid ChemIDplus OA KEGG_DRUG acide oxolinique ChemIDplus acido oxolinico WHO_MedNet acidum oxolinicum ChemIDplus oxolinic acid KEGG_DRUG oxolinic acid WHO_MedNet -1 CH2NO2 InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1 KXDHJXZQYSOELW-UHFFFAOYSA-M 60.03212 60.00910 NC([O-])=O Beilstein:3903503 CAS:302-11-4 Gmelin:239604 carbamate chebi_ontology Carbamat Karbamat carbamate ion carbamic acid, ion(1-) CHEBI:13941 carbamate Beilstein:3903503 Beilstein CAS:302-11-4 ChemIDplus Gmelin:239604 Gmelin carbamate IUPAC carbamate UniProt Carbamat ChEBI Karbamat ChEBI carbamate ion ChemIDplus carbamic acid, ion(1-) ChemIDplus A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. chebi_ontology sensitisers sensitizer sensitizers CHEBI:139492 sensitiser sensitisers ChEBI sensitizer ChEBI sensitizers ChEBI An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9. Wikipedia:Enoyl-acyl_carrier_protein_reductase chebi_ontology EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors EC 1.3.1.9 inhibitor EC 1.3.1.9 inhibitors ENR inhibitor ENR inhibitors NADH-enoyl acyl carrier protein reductase inhibitor NADH-enoyl acyl carrier protein reductase inhibitors NADH-specific enoyl-ACP reductase inhibitor NADH-specific enoyl-ACP reductase inhibitors acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors enoyl-ACP reductase inhibitor enoyl-ACP reductase inhibitors enoyl-[acyl carrier protein] reductase inhibitor enoyl-[acyl carrier protein] reductase inhibitors CHEBI:139512 EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors ChEBI EC 1.3.1.9 inhibitor ChEBI EC 1.3.1.9 inhibitors ChEBI ENR inhibitor ChEBI ENR inhibitors ChEBI NADH-enoyl acyl carrier protein reductase inhibitor ChEBI NADH-enoyl acyl carrier protein reductase inhibitors ChEBI NADH-specific enoyl-ACP reductase inhibitor ChEBI NADH-specific enoyl-ACP reductase inhibitors ChEBI acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor ChEBI acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors ChEBI enoyl-ACP reductase inhibitor ChEBI enoyl-ACP reductase inhibitors ChEBI enoyl-[acyl carrier protein] reductase inhibitor ChEBI enoyl-[acyl carrier protein] reductase inhibitors ChEBI An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety. PMID:15326516 PMID:19908854 PMID:20382022 PMID:23295224 chebi_ontology alpha-hydroxy ketones alpha-hydroxy-ketone alpha-hydroxy-ketones alpha-hydroxyketone alpha-hydroxyketones CHEBI:139588 alpha-hydroxy ketone PMID:15326516 Europe PMC PMID:19908854 Europe PMC PMID:20382022 Europe PMC PMID:23295224 Europe PMC alpha-hydroxy ketones ChEBI alpha-hydroxy-ketone ChEBI alpha-hydroxy-ketones ChEBI alpha-hydroxyketone ChEBI alpha-hydroxyketones ChEBI An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups. 0 C2HO2R3 57.028 56.99765 C(C(=O)*)(O)(*)* chebi_ontology tertiary alpha-hydroxy ketones tertiary alpha-hydroxy-ketone tertiary alpha-hydroxy-ketones tertiary alpha-hydroxyketone tertiary alpha-hydroxyketones CHEBI:139592 tertiary alpha-hydroxy ketone tertiary alpha-hydroxy ketones ChEBI tertiary alpha-hydroxy-ketone ChEBI tertiary alpha-hydroxy-ketones ChEBI tertiary alpha-hydroxyketone ChEBI tertiary alpha-hydroxyketones ChEBI Any antimicrobial agent whose activity is dependent on the presence of calcium ions. PMID:18489906 PMID:22711659 PMID:29108098 PMID:29434326 chebi_ontology Ca(2+)-dependent antibiotic Ca(2+)-dependent antibiotics Ca-dependent antibiotic Ca-dependent antibiotics calcium-dependent antibiotic CHEBI:140190 calcium-dependent antibiotics PMID:18489906 Europe PMC PMID:22711659 Europe PMC PMID:29108098 Europe PMC PMID:29434326 Europe PMC Ca(2+)-dependent antibiotic ChEBI Ca(2+)-dependent antibiotics ChEBI Ca-dependent antibiotic ChEBI Ca-dependent antibiotics ChEBI calcium-dependent antibiotic ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1). 0 CHNOR2 43.025 43.00581 N(C(*)=O)(*)[H] chebi_ontology secondary carboxamides CHEBI:140325 secondary carboxamide secondary carboxamides ChEBI A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2). 0 CNOR3 42.017 41.99799 N(C(*)=O)(*)* chebi_ontology tertiary carboxamides CHEBI:140326 tertiary carboxamide tertiary carboxamides ChEBI Any polyunsaturated fatty acid carrying one or more hydroxy substituents. chebi_ontology CHEBI:140345 hydroxy polyunsaturated fatty acid Any pathway inhibitor that inhibits the Hedgehog signalling pathway. Wikipedia:Hedgehog_pathway_inhibitors chebi_ontology Hedgehog pathway inhibitor Hedgehog pathway inhibitors Hedgehog signaling pathway inhibitors CHEBI:140921 Hedgehog signaling pathway inhibitor Hedgehog pathway inhibitor ChEBI Hedgehog pathway inhibitors ChEBI Hedgehog signaling pathway inhibitors ChEBI An inhibitor of any of the glioma-associated oncogene (GLI) proteins. chebi_ontology GLI inhibitor GLI inhibitors glioma-associated oncogene inhibitors CHEBI:140922 glioma-associated oncogene inhibitor GLI inhibitor ChEBI GLI inhibitors ChEBI glioma-associated oncogene inhibitors ChEBI A mitochondrial cytochrome-bc1 complex inhibitor that acts at the Quinone 'outer' (Qo) binding site of the cytochrome-bc1 complex. Wikipedia:QoI chebi_ontology QOI QOIs Qo inhibitor Qo inhibitors quinone outside inhibitors CHEBI:141153 quinone outside inhibitor QOI ChEBI QOIs ChEBI Qo inhibitor ChEBI Qo inhibitors ChEBI quinone outside inhibitors ChEBI An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers. 0 CNOR5 42.017 41.99799 N(C(O*)(*)*)(*)* chebi_ontology alpha-amino ether alpha-amino ethers hemiaminal ethers CHEBI:141498 hemiaminal ether alpha-amino ether ChEBI alpha-amino ethers ChEBI hemiaminal ethers ChEBI A organic ion resulting from the deprotonation of the hydroxy group of any oxime. -1 CNO 42.017 41.99799 C(*)(=N[O-])* oxime anion chebi_ontology oximate oximates oxime anions CHEBI:142513 oxime anion oxime anion ChEBI oximate ChEBI oximates ChEBI oxime anions ChEBI An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3. +1 C29H40N5O8 InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+1/t12-,14-,21-,29-/m0/s1 FPZLLRFZJZRHSY-HJYUBDRYSA-O 586.658 586.28714 C1(C(=C([C@H]([C@@]2(C[C@@]3(CC4=C(C=C(C(=C4C(C3=C([C@]12O)O)=O)O)NC(C[NH2+]C(C)(C)C)=O)N(C)C)[H])[H])[NH+](C)C)[O-])C(=O)N)=O MetaCyc:CPD-19260 PMID:16128584 (1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate chebi_ontology tigecycline CHEBI:142708 tigecycline(1+) PMID:16128584 SUBMITTER (1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate IUPAC tigecycline UniProt 0 C21H17N2O7R5 409.370 409.10358 C12=C(C=C(C(=C1C(C=3[C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3O)=O)C(N)=O)[NH+](C)C)[H])*)(C2(*)*)[H])=O)O)*)* chebi_ontology a tetracycline CHEBI:144644 a tetracycline zwitterion a tetracycline UniProt Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature. chebi_ontology macropolylides CHEBI:145555 macropolylide macropolylides ChEBI A macropolylide which contains two ester linkages in one macrocyclic ring. PMID:17446696 PMID:29624065 PMID:29671776 PMID:31247219 chebi_ontology macrodiolides CHEBI:145556 macrodiolide PMID:17446696 Europe PMC PMID:29624065 Europe PMC PMID:29671776 Europe PMC PMID:31247219 Europe PMC macrodiolides ChEBI A macrolide in which the macrocyclic lactone ring includes an amide group. PMID:11678663 PMID:12227772 PMID:15248618 PMID:17378533 PMID:31226284 chebi_ontology macrolide lactams CHEBI:145565 macrolide lactam PMID:11678663 Europe PMC PMID:12227772 Europe PMC PMID:15248618 Europe PMC PMID:17378533 Europe PMC PMID:31226284 Europe PMC macrolide lactams ChEBI A monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3. -1 C26H43O9 InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1 MINDHVHHQZYEEK-HBBNESRFSA-M 499.622 499.29126 [C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate chebi_ontology CHEBI:145790 mupirocin(1-) 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate IUPAC A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups. +1 C14H25N2O7 InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+1/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1 UNFWWIHTNXNPBV-WXKVUWSESA-O 333.360 333.16563 [C@@H]12[C@H](O[C@@]3(O[C@H](C)CC([C@@]3(O1)O)=O)[H])[C@H]([C@H]([NH2+]C)[C@@H]([C@@H]2NC)O)O chebi_ontology spectinomycin CHEBI:146260 spectinomycin(1+) spectinomycin UniProt Any organic heterotricyclic compound whose core skeleton consists of a benzodioxin ring that is ortho-fused to a pyran ring. chebi_ontology pyranobenzodioxins CHEBI:146295 pyranobenzodioxin pyranobenzodioxins ChEBI Any agent that induces nausea and vomiting. chebi_ontology emetics CHEBI:149552 emetic emetics ChEBI Any antiviral agent which inhibits the activity of coronaviruses. Wikipedia:Coronavirus anticoronaviral agent chebi_ontology anti-coronaviral agent anti-coronaviral agents anti-coronavirus agent anti-coronavirus agents anticoronaviral agents anticoronaviral drug anticoronaviral drugs anticoronavirus agent anticoronavirus agents anticoronviral agent anticoronviral agents CHEBI:149553 anticoronaviral agent anticoronaviral agent ChEBI anti-coronaviral agent ChEBI anti-coronaviral agents ChEBI anti-coronavirus agent ChEBI anti-coronavirus agents ChEBI anticoronaviral agents ChEBI anticoronaviral drug ChEBI anticoronaviral drugs ChEBI anticoronavirus agent ChEBI anticoronavirus agents ChEBI anticoronviral agent ChEBI anticoronviral agents ChEBI Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms. 0 C29H39N5O8 InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1 FPZLLRFZJZRHSY-HJYUBDRYSA-N 585.64870 585.27986 [H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C CHEBI:29696 CHEBI:473970 CAS:220620-09-7 DrugBank:DB00560 Drug_Central:2661 KEGG:C12012 KEGG:D01079 PMID:17194827 PMID:17210772 PMID:17220399 PMID:17307973 PMID:17353238 PMID:17353249 Reaxys:8379453 (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide chebi_ontology (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide CHEBI:149836 tigecycline CAS:220620-09-7 ChemIDplus CAS:220620-09-7 KEGG COMPOUND Drug_Central:2661 DrugCentral PMID:17194827 ChEMBL PMID:17210772 ChEMBL PMID:17220399 ChEMBL PMID:17307973 ChEMBL PMID:17353238 ChEMBL PMID:17353249 ChEMBL Reaxys:8379453 Reaxys (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide IUPAC (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide ChemIDplus A molecular entity that can transfer an electron to another molecular entity. electron donor chebi_ontology Elektronendonator donneur d'electron CHEBI:15022 electron donor electron donor IUPAC Elektronendonator ChEBI donneur d'electron IUPAC A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide. -2 S InChI=1S/S/q-2 UCKMPCXJQFINFW-UHFFFAOYSA-N 32.06600 31.97317 [S--] CAS:18496-25-8 UM-BBD_compID:c0569 sulfanediide sulfide(2-) chebi_ontology S(2-) Sulfide sulphide CHEBI:15138 sulfide(2-) CAS:18496-25-8 ChemIDplus UM-BBD_compID:c0569 UM-BBD sulfanediide IUPAC sulfide(2-) IUPAC S(2-) IUPAC Sulfide ChemIDplus sulphide ChEBI A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity. CHEBI:13699 CHEBI:2377 KEGG:C00028 KEGG:C16722 Acceptor chebi_ontology A Akzeptor Hydrogen-acceptor Oxidized donor accepteur CHEBI:15339 acceptor Acceptor KEGG_COMPOUND A KEGG_COMPOUND Akzeptor ChEBI Hydrogen-acceptor KEGG_COMPOUND Oxidized donor KEGG_COMPOUND accepteur ChEBI A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. +1 C5H14NO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N 104.17080 104.10699 C[N+](C)(C)CCO CHEBI:13985 CHEBI:23212 CHEBI:3665 CHEBI:41524 Beilstein:1736748 CAS:62-49-7 DrugBank:DB00122 Drug_Central:3097 ECMDB:ECMDB00097 Gmelin:324597 HMDB:HMDB0000097 KEGG:C00114 KEGG:D07690 KNApSAcK:C00007298 MetaCyc:CHOLINE PDBeChem:CHT PMID:10930630 PMID:12826235 PMID:12946691 PMID:14972364 PMID:16210714 PMID:17087106 PMID:17283071 PMID:17344490 PMID:18204095 PMID:18230680 PMID:18786517 PMID:18786520 PMID:19246089 PMID:20038853 PMID:20446114 PMID:22770225 PMID:22961562 PMID:23095202 PMID:23616508 PMID:23637565 PMID:23733158 PMID:6420466 PMID:7590654 PMID:9517478 Reaxys:1736748 Wikipedia:Choline YMDB:YMDB00227 2-hydroxy-N,N,N-trimethylethanaminium Choline choline chebi_ontology Bilineurine CHOLINE ION N,N,N-trimethylethanol-ammonium N-trimethylethanolamine trimethylethanolamine CHEBI:15354 choline Beilstein:1736748 Beilstein CAS:62-49-7 ChemIDplus CAS:62-49-7 KEGG COMPOUND Drug_Central:3097 DrugCentral Gmelin:324597 Gmelin PMID:10930630 Europe PMC PMID:12826235 Europe PMC PMID:12946691 Europe PMC PMID:14972364 Europe PMC PMID:16210714 Europe PMC PMID:17087106 Europe PMC PMID:17283071 Europe PMC PMID:17344490 Europe PMC PMID:18204095 Europe PMC PMID:18230680 Europe PMC PMID:18786517 Europe PMC PMID:18786520 Europe PMC PMID:19246089 Europe PMC PMID:20038853 Europe PMC PMID:20446114 Europe PMC PMID:22770225 Europe PMC PMID:22961562 Europe PMC PMID:23095202 Europe PMC PMID:23616508 Europe PMC PMID:23637565 Europe PMC PMID:23733158 Europe PMC PMID:6420466 Europe PMC PMID:7590654 Europe PMC PMID:9517478 Europe PMC Reaxys:1736748 Reaxys 2-hydroxy-N,N,N-trimethylethanaminium IUPAC Choline KEGG_COMPOUND choline UniProt Bilineurine KEGG_COMPOUND CHOLINE ION PDBeChem N,N,N-trimethylethanol-ammonium ChEBI N-trimethylethanolamine ChEBI trimethylethanolamine ChEBI A simple monocarboxylic acid containing two carbons. 0 C2H4O2 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) QTBSBXVTEAMEQO-UHFFFAOYSA-N 60.05200 60.02113 CC(O)=O CHEBI:22169 CHEBI:2387 CHEBI:40486 Beilstein:506007 CAS:64-19-7 Drug_Central:4211 Gmelin:1380 HMDB:HMDB0000042 KEGG:C00033 KEGG:D00010 KNApSAcK:C00001176 LIPID_MAPS_instance:LMFA01010002 MetaCyc:ACET PDBeChem:ACT PDBeChem:ACY PMID:12005138 PMID:15107950 PMID:16630552 PMID:16774200 PMID:17190852 PMID:19416101 PMID:19469536 PMID:22153255 PMID:22173419 PPDB:1333 Reaxys:506007 Wikipedia:Acetic_acid ACETIC ACID Acetic acid acetic acid chebi_ontology AcOH CH3-COOH CH3CO2H E 260 E-260 E260 Essigsaeure Ethanoic acid Ethylic acid HOAc INS No. 260 MeCO2H MeCOOH Methanecarboxylic acid acide acetique ethoic acid CHEBI:15366 acetic acid Beilstein:506007 Beilstein CAS:64-19-7 ChemIDplus CAS:64-19-7 KEGG COMPOUND CAS:64-19-7 NIST Chemistry WebBook Drug_Central:4211 DrugCentral Gmelin:1380 Gmelin LIPID_MAPS_instance:LMFA01010002 LIPID MAPS PMID:12005138 Europe PMC PMID:15107950 Europe PMC PMID:16630552 Europe PMC PMID:16774200 Europe PMC PMID:17190852 Europe PMC PMID:19416101 Europe PMC PMID:19469536 Europe PMC PMID:22153255 Europe PMC PMID:22173419 Europe PMC Reaxys:506007 Reaxys ACETIC ACID PDBeChem Acetic acid KEGG_COMPOUND acetic acid IUPAC AcOH ChEBI CH3-COOH IUPAC CH3CO2H ChEBI E 260 ChEBI E-260 ChEBI E260 ChEBI Essigsaeure ChEBI Ethanoic acid KEGG_COMPOUND Ethylic acid ChemIDplus HOAc ChEBI INS No. 260 ChEBI MeCO2H ChEBI MeCOOH ChEBI Methanecarboxylic acid ChemIDplus acide acetique ChemIDplus ethoic acid ChEBI A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides. CHEBI:13723 CHEBI:22220 CHEBI:2445 CAS:1402-38-6 KEGG:C01775 Actinomycin chebi_ontology actinomycins CHEBI:15369 actinomycin CAS:1402-38-6 ChemIDplus CAS:1402-38-6 KEGG COMPOUND Actinomycin KEGG_COMPOUND actinomycins ChEBI Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. 0 C2H4O2(CH2O)n CHEBI:13755 CHEBI:22305 CHEBI:2561 KEGG:C01370 Wikipedia:Aldose Aldose chebi_ontology aldoses an aldose CHEBI:15693 aldose Aldose KEGG_COMPOUND aldoses ChEBI an aldose UniProt Any alpha-amino acid having L-configuration at the alpha-carbon. 0 C2H4NO2R 74.05870 74.02420 N[C@@H]([*])C(O)=O CHEBI:13072 CHEBI:13243 CHEBI:13797 CHEBI:21224 CHEBI:6175 KEGG:C00151 L-alpha-amino acid L-alpha-amino acids chebi_ontology L-2-Amino acid L-Amino acid L-alpha-amino acids CHEBI:15705 L-alpha-amino acid L-alpha-amino acid IUPAC L-alpha-amino acids IUPAC L-2-Amino acid KEGG_COMPOUND L-Amino acid KEGG_COMPOUND L-alpha-amino acids ChEBI A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. 0 CH3OR 31.034 31.01839 *C(O)([H])[H] CHEBI:13676 CHEBI:14887 CHEBI:26262 CHEBI:57489 CHEBI:8406 KEGG:C00226 Primary alcohol chebi_ontology 1-Alcohol a primary alcohol primary alcohols CHEBI:15734 primary alcohol Primary alcohol KEGG_COMPOUND 1-Alcohol KEGG_COMPOUND a primary alcohol UniProt primary alcohols ChEBI A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. -1 CHO2 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 BDAGIHXWWSANSR-UHFFFAOYSA-M 45.01744 44.99820 [H]C([O-])=O CHEBI:14276 CHEBI:24081 Beilstein:1901205 CAS:71-47-6 Gmelin:1006 HMDB:HMDB0000142 KEGG:C00058 MetaCyc:FORMATE PMID:17190852 PMID:3946945 Reaxys:1901205 UM-BBD_compID:c0106 Wikipedia:Formate formate chebi_ontology HCO2 anion aminate formiate formic acid, ion(1-) formylate hydrogen carboxylate methanoate CHEBI:15740 formate Beilstein:1901205 Beilstein CAS:71-47-6 ChemIDplus CAS:71-47-6 NIST Chemistry WebBook Gmelin:1006 Gmelin PMID:17190852 Europe PMC PMID:3946945 Europe PMC Reaxys:1901205 Reaxys UM-BBD_compID:c0106 UM-BBD formate IUPAC formate UniProt HCO2 anion NIST_Chemistry_WebBook aminate ChEBI formiate ChEBI formic acid, ion(1-) ChemIDplus formylate ChEBI hydrogen carboxylate ChEBI methanoate ChEBI A peptide containing ten or more amino acid residues. C4H6N2O3R2(C2H2NOR)n CHEBI:14860 CHEBI:8314 KEGG:C00403 Polypeptide polypeptides chebi_ontology Polypeptid polipeptido CHEBI:15841 polypeptide Polypeptide KEGG_COMPOUND polypeptides IUPAC Polypeptid ChEBI polipeptido ChEBI A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. 0 C6H5NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N 123.10944 123.03203 OC(=O)c1cccnc1 CHEBI:25538 CHEBI:44319 CHEBI:7559 AGR:IND607088605 Beilstein:109591 CAS:59-67-6 Chemspider:913 DrugBank:DB00627 Drug_Central:2835 FooDB:FDB001014 Gmelin:3340 HMDB:HMDB0001488 KEGG:C00253 KEGG:D00049 KNApSAcK:C00000208 LINCS:LSM-4676 MetaCyc:NIACINE PDBeChem:NIO PMID:10540864 PMID:113218 PMID:12563315 PMID:12789870 PMID:135660 PMID:14550884 PMID:15037193 PMID:15183629 PMID:15205990 PMID:15311728 PMID:15627518 PMID:15651982 PMID:16018787 PMID:16172771 PMID:16322787 PMID:16400392 PMID:16449845 PMID:16767301 PMID:16877271 PMID:16945375 PMID:18037924 PMID:182198 PMID:186078 PMID:18993152 PMID:18996527 PMID:19369827 PMID:19592242 PMID:19678716 PMID:19779335 PMID:20979384 PMID:21632263 PMID:22116693 PMID:22155410 PMID:22229411 PMID:22366213 PMID:22458880 PMID:22770225 PMID:24029555 PMID:24568240 PMID:24675661 PMID:24848081 PMID:24975217 PMID:25040591 PMID:25241762 PMID:25429652 PMID:32954525 PMID:33273654 PMID:33932650 PMID:34066686 PMID:34085526 PMID:34117670 PMID:4033386 PMID:4259917 PMID:582105 PMID:699281 PMID:7217784 PMID:7581845 PMID:8306147 PMID:8423912 PMID:8679452 PMID:9107536 Reaxys:109591 Wikipedia:Niacin NICOTINIC ACID Nicotinic acid nicotinic acid pyridine-3-carboxylic acid chebi_ontology 3-Pyridylcarboxylic acid 3-carboxylpyridine 3-carboxypyridine 3-pyridinecarboxylic acid Niacin Niacor Niaspan Nicotinsaure Nikotinsaeure P.P. factor PP factor acide nicotinique acido nicotinico acidum nicotinicum anti-pellagra vitamin beta-pyridinecarboxylic acid m-pyridinecarboxylic acid nicotinic acid pellagra preventive factor pyridine-beta-carboxylic acid pyridine-carboxylique-3 vitamin B3 CHEBI:15940 nicotinic acid AGR:IND607088605 Europe PMC Beilstein:109591 Beilstein CAS:59-67-6 ChemIDplus CAS:59-67-6 KEGG COMPOUND CAS:59-67-6 NIST Chemistry WebBook Drug_Central:2835 DrugCentral Gmelin:3340 Gmelin PMID:10540864 Europe PMC PMID:113218 Europe PMC PMID:12563315 Europe PMC PMID:12789870 Europe PMC PMID:135660 Europe PMC PMID:14550884 Europe PMC PMID:15037193 Europe PMC PMID:15183629 Europe PMC PMID:15205990 Europe PMC PMID:15311728 Europe PMC PMID:15627518 Europe PMC PMID:15651982 Europe PMC PMID:16018787 Europe PMC PMID:16172771 Europe PMC PMID:16322787 Europe PMC PMID:16400392 Europe PMC PMID:16449845 Europe PMC PMID:16767301 Europe PMC PMID:16877271 Europe PMC PMID:16945375 Europe PMC PMID:18037924 Europe PMC PMID:182198 Europe PMC PMID:186078 Europe PMC PMID:18993152 Europe PMC PMID:18996527 Europe PMC PMID:19369827 Europe PMC PMID:19592242 Europe PMC PMID:19678716 Europe PMC PMID:19779335 Europe PMC PMID:20979384 Europe PMC PMID:21632263 Europe PMC PMID:22116693 Europe PMC PMID:22155410 Europe PMC PMID:22229411 Europe PMC PMID:22366213 Europe PMC PMID:22458880 Europe PMC PMID:22770225 Europe PMC PMID:24029555 Europe PMC PMID:24568240 Europe PMC PMID:24675661 Europe PMC PMID:24848081 Europe PMC PMID:24975217 Europe PMC PMID:25040591 Europe PMC PMID:25241762 Europe PMC PMID:25429652 Europe PMC PMID:32954525 Europe PMC PMID:33273654 Europe PMC PMID:33932650 Europe PMC PMID:34066686 Europe PMC PMID:34085526 Europe PMC PMID:34117670 Europe PMC PMID:4033386 Europe PMC PMID:4259917 Europe PMC PMID:582105 Europe PMC PMID:699281 Europe PMC PMID:7217784 Europe PMC PMID:7581845 Europe PMC PMID:8306147 Europe PMC PMID:8423912 Europe PMC PMID:8679452 Europe PMC PMID:9107536 Europe PMC Reaxys:109591 Reaxys NICOTINIC ACID PDBeChem Nicotinic acid KEGG_COMPOUND nicotinic acid IUPAC pyridine-3-carboxylic acid IUPAC 3-Pyridylcarboxylic acid HMDB 3-carboxylpyridine ChemIDplus 3-carboxypyridine NIST_Chemistry_WebBook 3-pyridinecarboxylic acid KEGG_COMPOUND Niacin KEGG_COMPOUND Niacor KEGG_DRUG Niaspan KEGG_DRUG Nicotinsaure ChemIDplus Nikotinsaeure ChEBI P.P. factor NIST_Chemistry_WebBook PP factor NIST_Chemistry_WebBook acide nicotinique WHO_MedNet acido nicotinico WHO_MedNet acidum nicotinicum WHO_MedNet anti-pellagra vitamin NIST_Chemistry_WebBook beta-pyridinecarboxylic acid ChEBI m-pyridinecarboxylic acid NIST_Chemistry_WebBook nicotinic acid WHO_MedNet pellagra preventive factor NIST_Chemistry_WebBook pyridine-beta-carboxylic acid NIST_Chemistry_WebBook pyridine-carboxylique-3 ChemIDplus vitamin B3 ChEBI A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues. 0 (C5H8O6PR)n.C10H17O10PR2 CHEBI:13672 CHEBI:14859 CHEBI:8312 KEGG:C00419 Polynucleotide chebi_ontology polynucleotides CHEBI:15986 polynucleotide Polynucleotide KEGG_COMPOUND polynucleotides ChEBI An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. 0 C4H5N3O InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N 111.10212 111.04326 Nc1cc[nH]c(=O)n1 CHEBI:14066 CHEBI:23531 CHEBI:4072 CHEBI:41732 Beilstein:2637 CAS:71-30-7 Gmelin:82472 HMDB:HMDB0000630 KEGG:C00380 KNApSAcK:C00001498 MetaCyc:CYTOSINE PDBeChem:CYT PMID:14253484 PMID:22770225 PMID:7877593 Reaxys:2637 Wikipedia:Cytosine 4-aminopyrimidin-2(1H)-one Cytosine cytosine chebi_ontology 4-amino-2(1H)-pyrimidinone 4-amino-2-hydroxypyrimidine C Cyt Cytosin Zytosin CHEBI:16040 cytosine Gmelin:82472 Gmelin PMID:14253484 Europe PMC PMID:22770225 Europe PMC PMID:7877593 Europe PMC Reaxys:2637 Reaxys 4-aminopyrimidin-2(1H)-one IUPAC Cytosine KEGG_COMPOUND cytosine UniProt 4-amino-2(1H)-pyrimidinone NIST_Chemistry_WebBook 4-amino-2-hydroxypyrimidine NIST_Chemistry_WebBook C ChEBI Cyt CBN Cytosin ChEBI Zytosin ChEBI Beilstein:2637 Beilstein CAS:71-30-7 ChemIDplus CAS:71-30-7 KEGG COMPOUND CAS:71-30-7 NIST Chemistry WebBook A monoatomic monoanion resulting from the addition of an electron to any halogen atom. -1 X 0.0 0.0 [*-] CHEBI:14384 CHEBI:5605 KEGG:C00462 halide ions chebi_ontology HX Halide a halide anion halide anions halide(1-) halides halogen anion CHEBI:16042 halide anion halide ions IUPAC HX KEGG_COMPOUND Halide KEGG_COMPOUND a halide anion UniProt halide anions ChEBI halide(1-) ChEBI halides ChEBI halogen anion ChEBI An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. 0 H3N InChI=1S/H3N/h1H3 QGZKDVFQNNGYKY-UHFFFAOYSA-N 17.03056 17.02655 [H]N([H])[H] CHEBI:13405 CHEBI:13406 CHEBI:13407 CHEBI:13771 CHEBI:22533 CHEBI:44269 CHEBI:44284 CHEBI:44404 CHEBI:7434 Beilstein:3587154 CAS:7664-41-7 Drug_Central:4625 Gmelin:79 HMDB:HMDB0000051 KEGG:C00014 KEGG:D02916 KNApSAcK:C00007267 MetaCyc:AMMONIA MolBase:930 PDBeChem:NH3 PMID:110589 PMID:11139349 PMID:11540049 PMID:11746427 PMID:11783653 PMID:13753780 PMID:14663195 PMID:15092448 PMID:15094021 PMID:15554424 PMID:15969015 PMID:16008360 PMID:16050680 PMID:16348008 PMID:16349403 PMID:16614889 PMID:16664306 PMID:16842901 PMID:17025297 PMID:17439666 PMID:17569513 PMID:17737668 PMID:18670398 PMID:22002069 PMID:22081570 PMID:22088435 PMID:22100291 PMID:22130175 PMID:22150211 PMID:22240068 PMID:22290316 PMID:22342082 PMID:22385337 PMID:22443779 PMID:22560242 Reaxys:3587154 Wikipedia:Ammonia AMMONIA Ammonia ammonia azane chebi_ontology Ammoniak NH3 R-717 [NH3] ammoniac amoniaco spirit of hartshorn CHEBI:16134 ammonia Beilstein:3587154 Beilstein CAS:7664-41-7 ChemIDplus CAS:7664-41-7 KEGG COMPOUND CAS:7664-41-7 NIST Chemistry WebBook Drug_Central:4625 DrugCentral Gmelin:79 Gmelin PMID:110589 Europe PMC PMID:11139349 Europe PMC PMID:11540049 Europe PMC PMID:11746427 Europe PMC PMID:11783653 Europe PMC PMID:13753780 Europe PMC PMID:14663195 Europe PMC PMID:15092448 Europe PMC PMID:15094021 Europe PMC PMID:15554424 Europe PMC PMID:15969015 Europe PMC PMID:16008360 Europe PMC PMID:16050680 Europe PMC PMID:16348008 Europe PMC PMID:16349403 Europe PMC PMID:16614889 Europe PMC PMID:16664306 Europe PMC PMID:16842901 Europe PMC PMID:17025297 Europe PMC PMID:17439666 Europe PMC PMID:17569513 Europe PMC PMID:17737668 Europe PMC PMID:18670398 Europe PMC PMID:22002069 Europe PMC PMID:22081570 Europe PMC PMID:22088435 Europe PMC PMID:22100291 Europe PMC PMID:22130175 Europe PMC PMID:22150211 Europe PMC PMID:22240068 Europe PMC PMID:22290316 Europe PMC PMID:22342082 Europe PMC PMID:22385337 Europe PMC PMID:22443779 Europe PMC PMID:22560242 Europe PMC Reaxys:3587154 Reaxys AMMONIA PDBeChem Ammonia KEGG_COMPOUND ammonia IUPAC azane IUPAC Ammoniak ChemIDplus NH3 IUPAC NH3 KEGG_COMPOUND NH3 UniProt R-717 ChEBI [NH3] MolBase ammoniac ChEBI amoniaco ChEBI spirit of hartshorn ChemIDplus A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen. 0 H2S InChI=1S/H2S/h1H2 RWSOTUBLDIXVET-UHFFFAOYSA-N 34.08188 33.98772 [H]S[H] CHEBI:13356 CHEBI:14414 CHEBI:24639 CHEBI:43058 CHEBI:45489 CHEBI:5787 Beilstein:3535004 CAS:7783-06-4 Drug_Central:4260 Gmelin:303 KEGG:C00283 KNApSAcK:C00007266 MolBase:1709 PDBeChem:H2S PMID:11788560 PMID:14654297 PMID:15003943 PMID:15607739 PMID:16446402 PMID:18098324 PMID:18524810 PMID:18948540 PMID:19695225 PMID:22004989 PMID:22378060 PMID:22448627 PMID:22473176 PMID:22486842 PMID:22520971 PMID:22787557 UM-BBD_compID:c0239 Wikipedia:Hydrogen_sulfide Hydrogen sulfide dihydridosulfur dihydrogen(sulfide) hydrogen sulfide sulfane chebi_ontology H2S HYDROSULFURIC ACID Hydrogen-sulfide Schwefelwasserstoff Sulfide [SH2] acide sulfhydrique dihydrogen monosulfide dihydrogen sulfide hydrogen monosulfide hydrogen sulphide hydrogene sulfure sulfure d'hydrogene CHEBI:16136 hydrogen sulfide Beilstein:3535004 Beilstein CAS:7783-06-4 ChemIDplus CAS:7783-06-4 KEGG COMPOUND CAS:7783-06-4 NIST Chemistry WebBook Drug_Central:4260 DrugCentral Gmelin:303 Gmelin PMID:11788560 Europe PMC PMID:14654297 Europe PMC PMID:15003943 Europe PMC PMID:15607739 Europe PMC PMID:16446402 Europe PMC PMID:18098324 Europe PMC PMID:18524810 Europe PMC PMID:18948540 Europe PMC PMID:19695225 Europe PMC PMID:22004989 Europe PMC PMID:22378060 Europe PMC PMID:22448627 Europe PMC PMID:22473176 Europe PMC PMID:22486842 Europe PMC PMID:22520971 Europe PMC PMID:22787557 Europe PMC UM-BBD_compID:c0239 UM-BBD Hydrogen sulfide KEGG_COMPOUND dihydridosulfur IUPAC dihydrogen(sulfide) IUPAC hydrogen sulfide IUPAC sulfane IUPAC H2S IUPAC H2S KEGG_COMPOUND HYDROSULFURIC ACID PDBeChem Hydrogen-sulfide KEGG_COMPOUND Schwefelwasserstoff ChemIDplus Sulfide KEGG_COMPOUND [SH2] MolBase acide sulfhydrique ChemIDplus dihydrogen monosulfide NIST_Chemistry_WebBook dihydrogen sulfide NIST_Chemistry_WebBook hydrogen monosulfide NIST_Chemistry_WebBook hydrogen sulphide ChemIDplus hydrogene sulfure ChemIDplus sulfure d'hydrogene ChEBI The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. -1 C7H5O2 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 WPYMKLBDIGXBTP-UHFFFAOYSA-M 121.11340 121.02950 [O-]C(=O)c1ccccc1 CHEBI:13879 CHEBI:22717 Beilstein:1862486 CAS:766-76-7 Gmelin:2945 HMDB:HMDB0001870 KEGG:C00180 MetaCyc:BENZOATE Reaxys:1862486 UM-BBD_compID:c0121 benzoate chebi_ontology Benzenecarboxylate Benzeneformate Benzenemethanoate Phenylcarboxylate Phenylformate benzoate anion benzoic acid, ion(1-) CHEBI:16150 benzoate Beilstein:1862486 Beilstein CAS:766-76-7 ChemIDplus CAS:766-76-7 NIST Chemistry WebBook Gmelin:2945 Gmelin Reaxys:1862486 Reaxys UM-BBD_compID:c0121 UM-BBD benzoate IUPAC benzoate UniProt Benzenecarboxylate HMDB Benzeneformate HMDB Benzenemethanoate HMDB Phenylcarboxylate HMDB Phenylformate HMDB benzoate anion NIST_Chemistry_WebBook benzoic acid, ion(1-) ChemIDplus A synthetic monocyclic beta-lactam antibiotic (monobactam), used primarily to treat infections caused by Gram-negative bacteria. It inhibits mucopeptide synthesis in the bacterial cell wall, thereby blocking peptidoglycan crosslinking. 0 C13H17N5O8S2 InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1 WZPBZJONDBGPKJ-VEHQQRBSSA-N 435.43300 435.05185 C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc([NH3+])n2)C(=O)N1S([O-])(=O)=O CHEBI:2960 CHEBI:41008 Beilstein:3577211 CAS:78110-38-0 DrugBank:DB00355 Drug_Central:279 KEGG:C06840 KEGG:D00240 PDBeChem:AZR PMID:1384868 PMID:15123864 PMID:24119095 PMID:24176390 PMID:24369293 PMID:25049240 PMID:25091537 PMID:25295210 PMID:28543395 PMID:29017833 Patent:NL8100571 Reaxys:3577211 Wikipedia:Aztreonam (2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate chebi_ontology (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid AZT Azactam Primbactam aztreonam aztreonamum CHEBI:161680 aztreonam Beilstein:3577211 Beilstein CAS:78110-38-0 ChemIDplus Drug_Central:279 DrugCentral PMID:1384868 Europe PMC PMID:15123864 Europe PMC PMID:24119095 Europe PMC PMID:24176390 Europe PMC PMID:24369293 Europe PMC PMID:25049240 Europe PMC PMID:25091537 Europe PMC PMID:25295210 Europe PMC PMID:28543395 Europe PMC PMID:29017833 Europe PMC Reaxys:3577211 Reaxys (2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate IUPAC (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid ChemIDplus AZT ChEBI Azactam DrugBank Primbactam DrugBank aztreonam ChEBI aztreonamum ChemIDplus A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid. -2 O4S InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 QAOWNCQODCNURD-UHFFFAOYSA-L 96.06360 95.95283 [O-]S([O-])(=O)=O CHEBI:15135 CHEBI:45687 CHEBI:9335 Beilstein:3648446 CAS:14808-79-8 Gmelin:2120 HMDB:HMDB0001448 KEGG:C00059 KEGG:D05963 MetaCyc:SULFATE PDBeChem:SO4 PMID:11200094 PMID:11452993 PMID:11581495 PMID:11798107 PMID:12166931 PMID:12668033 PMID:14597181 PMID:15093386 PMID:15984785 PMID:16186560 PMID:16345535 PMID:16347366 PMID:16348007 PMID:16483812 PMID:16534979 PMID:16656509 PMID:16742508 PMID:16742518 PMID:17120760 PMID:17420092 PMID:17439666 PMID:17709180 PMID:18398178 PMID:18815700 PMID:18846414 PMID:19047345 PMID:19244483 PMID:19544990 PMID:19628332 PMID:19812358 PMID:30398859 Reaxys:3648446 Wikipedia:Sulfate Sulfate sulfate tetraoxidosulfate(2-) tetraoxosulfate(2-) tetraoxosulfate(VI) chebi_ontology SO4(2-) SULFATE ION Sulfate anion(2-) Sulfate dianion Sulfate(2-) Sulfuric acid ion(2-) [SO4](2-) sulphate sulphate ion CHEBI:16189 sulfate Beilstein:3648446 Beilstein CAS:14808-79-8 ChemIDplus CAS:14808-79-8 NIST Chemistry WebBook Gmelin:2120 Gmelin PMID:11200094 Europe PMC PMID:11452993 Europe PMC PMID:11581495 Europe PMC PMID:11798107 Europe PMC PMID:12166931 Europe PMC PMID:12668033 Europe PMC PMID:14597181 Europe PMC PMID:15093386 Europe PMC PMID:15984785 Europe PMC PMID:16186560 Europe PMC PMID:16345535 Europe PMC PMID:16347366 Europe PMC PMID:16348007 Europe PMC PMID:16483812 Europe PMC PMID:16534979 Europe PMC PMID:16656509 Europe PMC PMID:16742508 Europe PMC PMID:16742518 Europe PMC PMID:17120760 Europe PMC PMID:17420092 Europe PMC PMID:17439666 Europe PMC PMID:17709180 Europe PMC PMID:18398178 Europe PMC PMID:18815700 Europe PMC PMID:18846414 Europe PMC PMID:19047345 Europe PMC PMID:19244483 Europe PMC PMID:19544990 Europe PMC PMID:19628332 Europe PMC PMID:19812358 Europe PMC PMID:30398859 Europe PMC Reaxys:3648446 Reaxys Sulfate KEGG_COMPOUND sulfate IUPAC sulfate UniProt tetraoxidosulfate(2-) IUPAC tetraoxosulfate(2-) IUPAC tetraoxosulfate(VI) IUPAC SO4(2-) IUPAC SULFATE ION PDBeChem Sulfate anion(2-) HMDB Sulfate dianion HMDB Sulfate(2-) HMDB Sulfuric acid ion(2-) HMDB [SO4](2-) IUPAC sulphate ChEBI sulphate ion ChEBI A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O). 0 CH4N2O InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) XSQUKJJJFZCRTK-UHFFFAOYSA-N 60.05534 60.03236 NC(N)=O CHEBI:15292 CHEBI:27218 CHEBI:46379 CHEBI:9888 Beilstein:635724 CAS:57-13-6 DrugBank:DB03904 Drug_Central:4264 ECMDB:ECMDB04172 Gmelin:1378 HMDB:HMDB0000294 KEGG:C00086 KEGG:D00023 KNApSAcK:C00007314 MetaCyc:UREA PDBeChem:URE PMID:18037357 PMID:22770225 PPDB:1728 Reaxys:635724 UM-BBD_compID:c0165 Wikipedia:Urea YMDB:YMDB00003 UREA Urea urea chebi_ontology 1728 Carbamide E927b H2NC(O)NH2 Harnstoff Karbamid carbamide carbonyldiamide ur uree CHEBI:16199 urea Beilstein:635724 Beilstein CAS:57-13-6 ChemIDplus CAS:57-13-6 KEGG COMPOUND CAS:57-13-6 NIST Chemistry WebBook Drug_Central:4264 DrugCentral Gmelin:1378 Gmelin PMID:18037357 Europe PMC PMID:22770225 Europe PMC Reaxys:635724 Reaxys UM-BBD_compID:c0165 UM-BBD UREA PDBeChem Urea KEGG_COMPOUND urea IUPAC urea UniProt 1728 PPDB Carbamide KEGG_COMPOUND E927b ChEBI H2NC(O)NH2 ChEBI Harnstoff NIST_Chemistry_WebBook Karbamid ChEBI carbamide ChEBI carbonyldiamide NIST_Chemistry_WebBook ur IUPAC uree ChEBI A divalent inorganic anion obtained by removal of both protons from phosphonic acid -2 HO3P InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2 ABLZXFCXXLZCGV-UHFFFAOYSA-L 79.97990 79.96743 [H]P([O-])([O-])=O CHEBI:14820 CHEBI:39856 CHEBI:8154 Gmelin:1618 KEGG:C06701 MetaCyc:PHOSPHONATE PDBeChem:2PO hydridotrioxidophosphate(2-) hydridotrioxophosphate(2-) chebi_ontology PHO3(2-) PHOSPHONATE Phosphonate [PHO3](2-) phosphonate CHEBI:16215 phosphonate(2-) Gmelin:1618 Gmelin hydridotrioxidophosphate(2-) IUPAC hydridotrioxophosphate(2-) IUPAC PHO3(2-) IUPAC PHOSPHONATE PDBeChem Phosphonate KEGG_COMPOUND [PHO3](2-) IUPAC phosphonate IUPAC phosphonate UniProt An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond. 0 H2O2 InChI=1S/H2O2/c1-2/h1-2H MHAJPDPJQMAIIY-UHFFFAOYSA-N 34.01468 34.00548 [H]OO[H] CHEBI:13354 CHEBI:13355 CHEBI:24637 CHEBI:44812 CHEBI:5586 Beilstein:3587191 CAS:7722-84-1 Drug_Central:3281 Gmelin:509 HMDB:HMDB0003125 KEGG:C00027 KEGG:D00008 MetaCyc:HYDROGEN-PEROXIDE MolBase:932 PDBeChem:PEO PMID:10455187 PMID:10557015 PMID:10849784 PMID:11033421 PMID:11105916 PMID:11318558 PMID:11387393 PMID:11809417 PMID:11864786 PMID:11893576 PMID:12867293 PMID:12934880 PMID:14679422 PMID:15028418 PMID:15133946 PMID:15298493 PMID:16337875 PMID:16463018 PMID:16864869 PMID:17020896 PMID:17179007 PMID:17610934 PMID:17948137 PMID:18179203 PMID:18182702 PMID:18306736 PMID:18443210 PMID:18592736 PMID:19107210 PMID:19229032 PMID:19297450 PMID:19509065 PMID:26352695 PMID:26365231 PMID:7548021 PMID:7581816 PMID:8048546 PMID:8375042 PMID:8451754 PMID:9051670 PMID:9100841 PMID:9168257 PMID:9202721 PMID:9558114 PPDB:387 Reaxys:3587191 Wikipedia:Hydrogen_peroxide HYDROGEN PEROXIDE Hydrogen peroxide bis(hydridooxygen)(O--O) dihydrogen peroxide dihydrogen(peroxide) dioxidane hydrogen peroxide chebi_ontology H2O2 HOOH Oxydol [OH(OH)] dihydrogen dioxide perhydrol CHEBI:16240 hydrogen peroxide Beilstein:3587191 Beilstein CAS:7722-84-1 ChemIDplus CAS:7722-84-1 KEGG COMPOUND CAS:7722-84-1 NIST Chemistry WebBook Drug_Central:3281 DrugCentral Gmelin:509 Gmelin PMID:10455187 Europe PMC PMID:10557015 Europe PMC PMID:10849784 Europe PMC PMID:11033421 Europe PMC PMID:11105916 Europe PMC PMID:11318558 Europe PMC PMID:11387393 Europe PMC PMID:11809417 Europe PMC PMID:11864786 Europe PMC PMID:11893576 Europe PMC PMID:12867293 Europe PMC PMID:12934880 Europe PMC PMID:14679422 Europe PMC PMID:15028418 Europe PMC PMID:15133946 Europe PMC PMID:15298493 Europe PMC PMID:16337875 Europe PMC PMID:16463018 Europe PMC PMID:16864869 Europe PMC PMID:17020896 Europe PMC PMID:17179007 Europe PMC PMID:17610934 Europe PMC PMID:17948137 Europe PMC PMID:18179203 Europe PMC PMID:18182702 Europe PMC PMID:18306736 Europe PMC PMID:18443210 Europe PMC PMID:18592736 Europe PMC PMID:19107210 Europe PMC PMID:19229032 Europe PMC PMID:19297450 Europe PMC PMID:19509065 Europe PMC PMID:26352695 Europe PMC PMID:26365231 Europe PMC PMID:7548021 Europe PMC PMID:7581816 Europe PMC PMID:8048546 Europe PMC PMID:8375042 Europe PMC PMID:8451754 Europe PMC PMID:9051670 Europe PMC PMID:9100841 Europe PMC PMID:9168257 Europe PMC PMID:9202721 Europe PMC PMID:9558114 Europe PMC Reaxys:3587191 Reaxys HYDROGEN PEROXIDE PDBeChem Hydrogen peroxide KEGG_COMPOUND bis(hydridooxygen)(O--O) IUPAC dihydrogen peroxide IUPAC dihydrogen(peroxide) IUPAC dioxidane IUPAC hydrogen peroxide IUPAC H2O2 KEGG_COMPOUND H2O2 UniProt HOOH IUPAC Oxydol KEGG_COMPOUND [OH(OH)] MolBase dihydrogen dioxide IUPAC perhydrol MetaCyc A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. CHEBI:14816 CHEBI:26063 CHEBI:8150 KEGG:C00865 Phospholipid chebi_ontology a phospholipid derivative phospholipids CHEBI:16247 phospholipid Phospholipid KEGG_COMPOUND a phospholipid derivative UniProt phospholipids ChEBI The D-enantiomer of proline. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N 115.13050 115.06333 OC(=O)[C@H]1CCCN1 CHEBI:13008 CHEBI:21070 CHEBI:42012 CHEBI:42129 CHEBI:42213 CHEBI:4226 CHEBI:45156 Beilstein:80811 CAS:344-25-2 DrugBank:DB02853 Gmelin:833984 HMDB:HMDB0003411 KEGG:C00763 MetaCyc:D-PROLINE PDBeChem:DPR PMID:19023642 PMID:20023020 PMID:20959625 PMID:21374575 PMID:21563681 PMID:22475019 PMID:22479580 Reaxys:80811 Wikipedia:D-proline D-PROLINE D-Proline D-proline chebi_ontology (2R)-pyrrolidine-2-carboxylic acid (R)-2-Carboxypyrrolidine (R)-pyrrolidine-2-carboxylic acid D-Prolin DPR CHEBI:16313 D-proline Beilstein:80811 Beilstein CAS:344-25-2 ChemIDplus CAS:344-25-2 KEGG COMPOUND Gmelin:833984 Gmelin PMID:19023642 Europe PMC PMID:20023020 Europe PMC PMID:20959625 Europe PMC PMID:21374575 Europe PMC PMID:21563681 Europe PMC PMID:22475019 Europe PMC PMID:22479580 Europe PMC Reaxys:80811 Reaxys D-PROLINE PDBeChem D-Proline KEGG_COMPOUND D-proline IUPAC (2R)-pyrrolidine-2-carboxylic acid IUPAC (R)-2-Carboxypyrrolidine HMDB (R)-pyrrolidine-2-carboxylic acid ChEBI D-Prolin ChEBI DPR PDBeChem Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers. 0 SR2 32.066 31.97207 CHEBI:13694 CHEBI:26960 CHEBI:9340 KEGG:C00297 sulfides chebi_ontology RSR Sulfide Thioether organic sulfides thioethers CHEBI:16385 organic sulfide sulfides IUPAC RSR IUPAC Sulfide KEGG_COMPOUND Thioether KEGG_COMPOUND organic sulfides ChEBI thioethers IUPAC An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes. 0 C12H7Cl3O2 InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H XEFQLINVKFYRCS-UHFFFAOYSA-N 289.54200 287.95116 Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl CHEBI:29697 CHEBI:47700 Beilstein:2057142 CAS:3380-34-5 DrugBank:DB08604 Drug_Central:3631 KEGG:C12059 KEGG:D06226 LINCS:LSM-2929 PDBeChem:TCL PMID:11175846 PMID:11418506 PMID:15269185 PMID:17567585 PMID:18837732 PMID:18937596 PMID:19388793 PMID:21094257 PMID:21166831 PMID:21833630 PMID:22105314 PMID:22561896 PMID:22746545 PMID:23146048 PMID:23161706 PMID:23192912 PMID:23282071 PMID:23313217 PMID:23320506 PMID:23368947 PMID:23435526 PMID:23561013 PMID:23592331 PMID:23614034 PMID:23648333 PMID:23791346 PMID:23831729 PMID:23890965 PMID:23927454 PMID:24079913 PMID:25179274 PMID:28236114 PMID:28339349 PMID:28632490 PMID:28741979 PMID:29030459 PMID:29067681 PMID:29100157 PMID:29109308 PMID:29111213 PMID:29111444 PMID:29131715 PMID:29150338 PMID:29154092 PMID:29172042 PMID:29175687 PMID:29197580 PMID:29205483 PMID:29214481 PMID:29232866 PMID:29277667 PMID:29332277 PMID:29340711 PMID:29348637 Patent:NL6401526 Patent:US3506720 Patent:US3629477 Reaxys:2057142 Wikipedia:Triclosan 5-chloro-2-(2,4-dichlorophenoxy)phenol Triclosan chebi_ontology 2,4,4'-Trichloro-2'-hydroxydiphenyl ether 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol triclosan triclosanum CHEBI:164200 triclosan Beilstein:2057142 Beilstein CAS:3380-34-5 ChemIDplus CAS:3380-34-5 KEGG COMPOUND Drug_Central:3631 DrugCentral PMID:11175846 Europe PMC PMID:11418506 Europe PMC PMID:15269185 Europe PMC PMID:17567585 Europe PMC PMID:18837732 Europe PMC PMID:18937596 Europe PMC PMID:19388793 Europe PMC PMID:21094257 Europe PMC PMID:21166831 Europe PMC PMID:21833630 Europe PMC PMID:22105314 Europe PMC PMID:22561896 Europe PMC PMID:22746545 Europe PMC PMID:23146048 Europe PMC PMID:23161706 Europe PMC PMID:23192912 Europe PMC PMID:23282071 Europe PMC PMID:23313217 Europe PMC PMID:23320506 Europe PMC PMID:23368947 Europe PMC PMID:23435526 Europe PMC PMID:23561013 Europe PMC PMID:23592331 Europe PMC PMID:23614034 Europe PMC PMID:23648333 Europe PMC PMID:23791346 Europe PMC PMID:23831729 Europe PMC PMID:23890965 Europe PMC PMID:23927454 Europe PMC PMID:24079913 Europe PMC PMID:25179274 Europe PMC PMID:28236114 Europe PMC PMID:28339349 Europe PMC PMID:28632490 Europe PMC PMID:28741979 Europe PMC PMID:29030459 Europe PMC PMID:29067681 Europe PMC PMID:29100157 Europe PMC PMID:29109308 Europe PMC PMID:29111213 Europe PMC PMID:29111444 Europe PMC PMID:29131715 Europe PMC PMID:29150338 Europe PMC PMID:29154092 Europe PMC PMID:29172042 Europe PMC PMID:29175687 Europe PMC PMID:29197580 Europe PMC PMID:29205483 Europe PMC PMID:29214481 Europe PMC PMID:29232866 Europe PMC PMID:29277667 Europe PMC PMID:29332277 Europe PMC PMID:29340711 Europe PMC PMID:29348637 Europe PMC Reaxys:2057142 Reaxys 5-chloro-2-(2,4-dichlorophenoxy)phenol IUPAC Triclosan KEGG_COMPOUND 2,4,4'-Trichloro-2'-hydroxydiphenyl ether ChemIDplus 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol ChEMBL triclosan ChemIDplus triclosan WHO_MedNet triclosanum ChemIDplus A naturally occurring polypeptide synthesized at the ribosome. CHEBI:8526 KEGG:C00017 chebi_ontology Protein a protein polypeptide chain protein polypeptide chains CHEBI:16541 protein polypeptide chain Protein KEGG_COMPOUND a protein UniProt polypeptide chain ChEBI protein polypeptide chains ChEBI Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. CHEBI:15131 CHEBI:23008 CHEBI:9318 Wikipedia:Carbohydrate carbohydrate carbohydrates chebi_ontology Kohlenhydrat Kohlenhydrate a carbohydrate carbohidrato carbohidratos glucide glucides glucido glucidos hydrates de carbone saccharide saccharides saccharidum CHEBI:16646 carbohydrate carbohydrate IUPAC carbohydrates IUPAC Kohlenhydrat ChEBI Kohlenhydrate ChEBI a carbohydrate UniProt carbohidrato IUPAC carbohidratos IUPAC glucide ChEBI glucides ChEBI glucido ChEBI glucidos ChEBI hydrates de carbone ChEBI saccharide IUPAC saccharides IUPAC saccharidum ChEBI Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc. 0 (C2H2NOR)nC2H3NOR CHEBI:14753 CHEBI:25906 CHEBI:7990 KEGG:C00012 Peptide peptides chebi_ontology Peptid peptido peptidos CHEBI:16670 peptide Peptide KEGG_COMPOUND peptides IUPAC Peptid ChEBI peptido ChEBI peptidos ChEBI A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond. 0 C9H12N2O6 InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 DRTQHJPVMGBUCF-XVFCMESISA-N 244.20146 244.06954 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CHEBI:15296 CHEBI:27227 CHEBI:46386 CHEBI:46391 CHEBI:46460 CHEBI:9893 Beilstein:754904 CAS:58-96-8 DrugBank:DB02745 ECMDB:ECMDB00296 Gmelin:397474 HMDB:HMDB0000296 KEGG:C00299 KNApSAcK:C00019674 MetaCyc:URIDINE PDBeChem:URI PMID:12084455 PMID:15621516 PMID:16839635 PMID:17190852 PMID:22392515 PMID:22770225 Reaxys:754904 Wikipedia:Uridine YMDB:YMDB00127 URIDINE Uridine uridine chebi_ontology 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione 1-beta-D-ribofuranosyluracil Urd Uridin beta-Uridine u CHEBI:16704 uridine Beilstein:754904 Beilstein CAS:58-96-8 ChemIDplus CAS:58-96-8 KEGG COMPOUND Gmelin:397474 Gmelin PMID:12084455 Europe PMC PMID:15621516 Europe PMC PMID:16839635 Europe PMC PMID:17190852 Europe PMC PMID:22392515 Europe PMC PMID:22770225 Europe PMC Reaxys:754904 Reaxys URIDINE PDBeChem Uridine KEGG_COMPOUND uridine IUPAC uridine UniProt 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione ChEBI 1-beta-D-ribofuranosyluracil HMDB Urd CBN Uridin ChemIDplus beta-Uridine HMDB u ChEBI A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics. 0 C8H12N2O3S InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 NGHVIOIJCVXTGV-ALEPSDHESA-N 216.260 216.05686 C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O CHEBI:20705 CHEBI:2172 Beilstein:15080 Beilstein:959078 CAS:551-16-6 Gmelin:1876702 KEGG:C02954 PDBeChem:X1E PMID:12569987 PMID:1384868 PMID:14687482 PMID:1701026 PMID:20970923 PMID:21614893 PMID:24293403 PMID:24389703 PMID:24631718 PMID:25057428 PMID:26852849 PMID:26986755 PMID:6166603 Patent:US2941995 Reaxys:15080 Wikipedia:6-APA 6-Aminopenicillanic acid 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid chebi_ontology (+)-6-aminopenicillanic acid (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-APA 6-Aminopenicillamine acid 6-Aminopenicillanate 6-Apa 6-Aps 6beta-aminopenicillanic acid Aminopenicillanic acid Penicin Penin Phenacyl 6-aminopenicillinate CHEBI:16705 6-aminopenicillanic acid Beilstein:15080 Beilstein Beilstein:959078 Beilstein CAS:551-16-6 ChemIDplus CAS:551-16-6 KEGG COMPOUND Gmelin:1876702 Gmelin PMID:12569987 Europe PMC PMID:1384868 Europe PMC PMID:14687482 Europe PMC PMID:1701026 Europe PMC PMID:20970923 Europe PMC PMID:21614893 Europe PMC PMID:24293403 Europe PMC PMID:24389703 Europe PMC PMID:24631718 Europe PMC PMID:25057428 Europe PMC PMID:26852849 Europe PMC PMID:26986755 Europe PMC PMID:6166603 Europe PMC Reaxys:15080 Reaxys 6-Aminopenicillanic acid KEGG_COMPOUND 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid IUPAC (+)-6-aminopenicillanic acid ChEBI (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC 6-APA ChEBI 6-Aminopenicillamine acid ChemIDplus 6-Aminopenicillanate KEGG_COMPOUND 6-Apa ChemIDplus 6-Aps ChemIDplus 6beta-aminopenicillanic acid ChEBI Aminopenicillanic acid ChemIDplus Penicin ChemIDplus Penin ChemIDplus Phenacyl 6-aminopenicillinate ChemIDplus A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. 0 C6H6 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H UHOVQNZJYSORNB-UHFFFAOYSA-N 78.11184 78.04695 c1ccccc1 CHEBI:13876 CHEBI:22703 CHEBI:3025 CHEBI:41187 Beilstein:969212 CAS:71-43-2 Gmelin:1671 HMDB:HMDB0001505 KEGG:C01407 PDBeChem:BNZ PMID:11684179 PMID:11993966 PMID:12857942 PMID:14677922 PMID:15468289 PMID:15935818 PMID:16161967 PMID:17373369 PMID:18072742 PMID:18407866 PMID:18409691 PMID:18836923 PMID:19228219 PMID:21325737 PMID:23088855 PMID:23222815 PMID:23534829 PMID:6353911 PMID:8124204 Reaxys:969212 UM-BBD_compID:c0142 Wikipedia:Benzene BENZENE Benzene benzene chebi_ontology Benzen Benzine Benzol Bicarburet of hydrogen Coal naphtha Mineral naphtha Phene Pyrobenzol Pyrobenzole [6]annulene benzole cyclohexatriene phenyl hydride CHEBI:16716 benzene Beilstein:969212 Beilstein CAS:71-43-2 ChemIDplus CAS:71-43-2 KEGG COMPOUND CAS:71-43-2 NIST Chemistry WebBook Gmelin:1671 Gmelin PMID:11684179 Europe PMC PMID:11993966 Europe PMC PMID:12857942 Europe PMC PMID:14677922 Europe PMC PMID:15468289 Europe PMC PMID:15935818 Europe PMC PMID:16161967 Europe PMC PMID:17373369 Europe PMC PMID:18072742 Europe PMC PMID:18407866 Europe PMC PMID:18409691 Europe PMC PMID:18836923 Europe PMC PMID:19228219 Europe PMC PMID:21325737 Europe PMC PMID:23088855 Europe PMC PMID:23222815 Europe PMC PMID:23534829 Europe PMC PMID:6353911 Europe PMC PMID:8124204 Europe PMC Reaxys:969212 Reaxys UM-BBD_compID:c0142 UM-BBD BENZENE PDBeChem Benzene KEGG_COMPOUND benzene ChEBI benzene IUPAC benzene UniProt Benzen IUPAC Benzine UM-BBD Benzol ChemIDplus Bicarburet of hydrogen ChemIDplus Coal naphtha ChemIDplus Mineral naphtha ChemIDplus Phene ChemIDplus Pyrobenzol ChemIDplus Pyrobenzole ChemIDplus [6]annulene NIST_Chemistry_WebBook benzole NIST_Chemistry_WebBook cyclohexatriene UM-BBD phenyl hydride UM-BBD A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body. Wikipedia:Mineral_(nutrient) mineral nutrient chebi_ontology mineral nutrients nutrient mineral nutrient minerals CHEBI:167164 mineral nutrient mineral nutrient ChEBI mineral nutrients ChEBI nutrient mineral ChEBI nutrient minerals ChEBI A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water. Wikipedia:Piscicide chebi_ontology piscicides CHEBI:167183 piscicide piscicides ChEBI 0 C2H4NO2R 74.05870 74.02420 N[C@H]([*])C(O)=O CHEBI:12909 CHEBI:13625 CHEBI:20906 CHEBI:4097 KEGG:C00405 D-alpha-amino acid D-alpha-amino acids chebi_ontology D-Amino acid D-alpha-amino acids CHEBI:16733 D-alpha-amino acid D-alpha-amino acid ChEBI D-alpha-amino acids IUPAC D-Amino acid KEGG_COMPOUND D-alpha-amino acids ChEBI Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001. chebi_ontology glycans CHEBI:167559 glycan glycans ChEBI A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. 0 C7H6O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N 138.12070 138.03169 OC(=O)c1ccccc1O CHEBI:26597 CHEBI:45521 CHEBI:9006 Beilstein:774890 CAS:69-72-7 DrugBank:DB00936 Drug_Central:2416 Gmelin:3418 HMDB:HMDB0001895 KEGG:C00805 KEGG:D00097 KNApSAcK:C00000206 LINCS:LSM-4763 MetaCyc:CPD-110 PDBeChem:SAL PMID:11016405 PMID:12865403 PMID:1650428 PMID:19400653 PMID:19816125 PMID:22770225 PMID:29079364 PMID:32807953 PMID:3425858 Reaxys:774890 Wikipedia:Salicylic_Acid 2-hydroxybenzoic acid Salicylic acid chebi_ontology 2-HYDROXYBENZOIC ACID 2-carboxyphenol o-Hydroxybenzoic acid o-carboxyphenol o-hydroxybenzoic acid CHEBI:16914 salicylic acid Beilstein:774890 Beilstein CAS:69-72-7 ChemIDplus CAS:69-72-7 KEGG COMPOUND CAS:69-72-7 NIST Chemistry WebBook Drug_Central:2416 DrugCentral Gmelin:3418 Gmelin PMID:11016405 Europe PMC PMID:12865403 Europe PMC PMID:1650428 Europe PMC PMID:19400653 Europe PMC PMID:19816125 Europe PMC PMID:22770225 Europe PMC PMID:29079364 Europe PMC PMID:32807953 Europe PMC PMID:3425858 Europe PMC Reaxys:774890 Reaxys 2-hydroxybenzoic acid IUPAC Salicylic acid KEGG_COMPOUND 2-HYDROXYBENZOIC ACID PDBeChem 2-carboxyphenol NIST_Chemistry_WebBook o-Hydroxybenzoic acid KEGG_COMPOUND o-carboxyphenol NIST_Chemistry_WebBook o-hydroxybenzoic acid NIST_Chemistry_WebBook 0 C20H37N3O13 InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 GRRNUXAQVGOGFE-NZSRVPFOSA-N 527.52010 527.23264 CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O CHEBI:14426 CHEBI:24752 CHEBI:43202 CHEBI:5821 Beilstein:6755837 CAS:31282-04-9 KEGG:C01925 PDBeChem:HYG (1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside HYGROMYCIN B Hygromycin B chebi_ontology Antibiotic A-396-II O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine CHEBI:16976 hygromycin B Beilstein:6755837 Beilstein CAS:31282-04-9 ChemIDplus CAS:31282-04-9 KEGG COMPOUND (1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside IUPAC HYGROMYCIN B PDBeChem Hygromycin B KEGG_COMPOUND Antibiotic A-396-II KEGG_COMPOUND O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine ChEBI An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. 0 H2O(C8H13NO5)n CHEBI:13962 CHEBI:23099 CHEBI:3596 CAS:1398-61-4 KEGG:C00461 KEGG:G10483 (1->4)-2-acetamido-2-deoxy-beta-D-glucan Chitin chitin chebi_ontology [1,4-(N-Acetyl-beta-D-glucosaminyl)]n [4)-beta-D-GlcpNAc(1->]n beta-1,4-Poly-N-acetyl-D-glucosamine CHEBI:17029 chitin CAS:1398-61-4 KEGG COMPOUND (1->4)-2-acetamido-2-deoxy-beta-D-glucan IUPAC Chitin KEGG_COMPOUND chitin IUPAC chitin UniProt [1,4-(N-Acetyl-beta-D-glucosaminyl)]n KEGG_COMPOUND [4)-beta-D-GlcpNAc(1->]n IUPAC beta-1,4-Poly-N-acetyl-D-glucosamine KEGG_COMPOUND A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class 0 C21H39N7O12 InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 UCSJYZPVAKXKNQ-HZYVHMACSA-N 581.57434 581.26567 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N CHEBI:15119 CHEBI:26784 CHEBI:45745 CHEBI:9284 Beilstein:74498 CAS:57-92-1 DrugBank:DB01082 Drug_Central:2481 HMDB:HMDB0015214 KEGG:C00413 KEGG:D08531 MetaCyc:STREPTOMYCIN PDBeChem:SRY PMID:11228320 PMID:11905029 PMID:12118520 PMID:13030054 PMID:13116094 PMID:13136149 PMID:13596285 PMID:13691614 PMID:13985260 PMID:13990247 PMID:14623118 PMID:14828344 PMID:14852338 PMID:14939639 PMID:15081082 PMID:15137533 PMID:15207172 PMID:15686853 PMID:15736038 PMID:16904706 PMID:17105735 PMID:17238915 PMID:17429930 PMID:18173084 PMID:18916143 PMID:19052412 PMID:19335957 PMID:21350946 PMID:21362244 PMID:21593257 PMID:21937264 PMID:22101040 Pesticides:streptomycin Reaxys:74498 Wikipedia:Streptomycin N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine STREPTOMYCIN chebi_ontology 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside Kantrex SM [2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine} streomycin streptomycin CHEBI:17076 streptomycin Beilstein:74498 Beilstein CAS:57-92-1 ChemIDplus CAS:57-92-1 KEGG COMPOUND Drug_Central:2481 DrugCentral PMID:11228320 Europe PMC PMID:11905029 Europe PMC PMID:12118520 Europe PMC PMID:13030054 Europe PMC PMID:13116094 Europe PMC PMID:13136149 Europe PMC PMID:13596285 Europe PMC PMID:13691614 Europe PMC PMID:13985260 Europe PMC PMID:13990247 Europe PMC PMID:14623118 Europe PMC PMID:14828344 Europe PMC PMID:14852338 Europe PMC PMID:14939639 Europe PMC PMID:15081082 Europe PMC PMID:15137533 Europe PMC PMID:15207172 Europe PMC PMID:15686853 Europe PMC PMID:15736038 Europe PMC PMID:16904706 Europe PMC PMID:17105735 Europe PMC PMID:17238915 Europe PMC PMID:17429930 Europe PMC PMID:18173084 Europe PMC PMID:18916143 Europe PMC PMID:19052412 Europe PMC PMID:19335957 Europe PMC PMID:21350946 Europe PMC PMID:21362244 Europe PMC PMID:21593257 Europe PMC PMID:21937264 Europe PMC PMID:22101040 Europe PMC Pesticides:streptomycin Alan Wood's Pesticides Reaxys:74498 Reaxys N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine IUPAC STREPTOMYCIN PDBeChem 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside ChemIDplus Kantrex DrugBank SM KEGG_DRUG [2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine} IUPAC streomycin ChEBI streptomycin KEGG_DRUG A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). 0 COR2 28.010 27.99491 [*]C([*])=O CHEBI:13427 CHEBI:13646 CHEBI:24974 CHEBI:6127 CHEBI:8742 KEGG:C01450 Wikipedia:Ketone Ketone ketones chebi_ontology Keton R-CO-R' a ketone cetone ketones CHEBI:17087 ketone Ketone KEGG_COMPOUND ketones IUPAC Keton ChEBI R-CO-R' KEGG_COMPOUND a ketone UniProt cetone ChEBI ketones ChEBI -1 HO3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1 LSNNMFCWUKXFEE-UHFFFAOYSA-M 81.07214 80.96519 OS([O-])=O CHEBI:13367 CHEBI:5598 CAS:15181-46-1 Gmelin:1455 KEGG:C11481 PDBeChem:SO3 hydrogen(trioxidosulfate)(1-) hydrogensulfite(1-) hydrogentrioxosulfate(1-) hydrogentrioxosulfate(IV) hydroxidodioxidosulfate(1-) monohydrogentrioxosulfate chebi_ontology Bisulfite HSO3(-) HSO3- Hydrogen sulfite [SO2(OH)](-) bisulfite bisulphite hydrogen sulfite(1-) hydrosulfite anion CHEBI:17137 hydrogensulfite CAS:15181-46-1 ChemIDplus CAS:15181-46-1 KEGG COMPOUND Gmelin:1455 Gmelin hydrogen(trioxidosulfate)(1-) IUPAC hydrogensulfite(1-) IUPAC hydrogentrioxosulfate(1-) IUPAC hydrogentrioxosulfate(IV) IUPAC hydroxidodioxidosulfate(1-) IUPAC monohydrogentrioxosulfate IUPAC Bisulfite KEGG_COMPOUND HSO3(-) IUPAC HSO3- KEGG_COMPOUND Hydrogen sulfite KEGG_COMPOUND [SO2(OH)](-) IUPAC bisulfite ChemIDplus bisulphite ChemIDplus hydrogen sulfite(1-) ChemIDplus hydrosulfite anion ChemIDplus A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. 0 C6H6N2O InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N 122.12472 122.04801 NC(=O)c1cccnc1 CHEBI:14645 CHEBI:25521 CHEBI:44258 CHEBI:7556 Beilstein:383619 CAS:98-92-0 DrugBank:DB02701 Drug_Central:1906 FooDB:FDB012485 Gmelin:3336 HMDB:HMDB0001406 KEGG:C00153 KEGG:D00036 KNApSAcK:C00000209 LINCS:LSM-5428 MetaCyc:NIACINAMIDE PDBeChem:NCA PMID:10884473 PMID:11355130 PMID:11814060 PMID:12014919 PMID:12487919 PMID:12519385 PMID:12709297 PMID:12782109 PMID:12890690 PMID:14729974 PMID:14757966 PMID:14871431 PMID:15497767 PMID:15563975 PMID:15780941 PMID:15807725 PMID:15834926 PMID:15995937 PMID:16029679 PMID:16209160 PMID:16596767 PMID:16766489 PMID:16871361 PMID:17021258 PMID:17129213 PMID:18234191 PMID:18316796 PMID:18368629 PMID:18373238 PMID:18389009 PMID:18514428 PMID:18930755 PMID:18987186 PMID:19212411 PMID:19539713 PMID:19544437 PMID:2026685 PMID:21503886 PMID:21891976 PMID:21918528 PMID:21926578 PMID:22067079 PMID:22160932 PMID:22207684 PMID:22232263 PMID:22281243 PMID:22359146 PMID:22361740 PMID:22407380 PMID:22456321 PMID:22536229 PMID:22543086 PMID:22626821 PMID:22699421 PMID:22709272 PMID:22763693 PMID:22770225 PMID:23016598 PMID:23028781 PMID:23043891 PMID:23047329 PMID:24027187 PMID:24077178 PMID:24559077 PMID:24635573 PMID:25504347 PMID:25561219 PMID:31710686 PMID:32249824 PMID:33196157 PMID:33471934 PMID:8620561 PMID:8767167 PMID:9518388 Patent:US2904552 Patent:US2993051 Reaxys:383619 Wikipedia:Nicotinamide nicotinamide pyridine-3-carboxamide chebi_ontology 3-carbamoylpyridine 3-pyridinecarboxamide Niacinamide Nicotinamid Nicotinsaeureamid Nikotinamid Nikotinsaeureamid Vitamin PP beta-pyridinecarboxamide m-(aminocarbonyl)pyridine niacin niamide nicotinamida nicotinamide nicotinamidum nicotine acid amide nicotine amide nicotinic acid amide nicotinic amide nicotylamide pyridine-3-carboxylic acid amide vitamin B3 CHEBI:17154 nicotinamide Beilstein:383619 Beilstein CAS:98-92-0 ChemIDplus CAS:98-92-0 KEGG COMPOUND CAS:98-92-0 NIST Chemistry WebBook Drug_Central:1906 DrugCentral Gmelin:3336 Gmelin PMID:10884473 Europe PMC PMID:11355130 Europe PMC PMID:11814060 Europe PMC PMID:12014919 Europe PMC PMID:12487919 Europe PMC PMID:12519385 Europe PMC PMID:12709297 Europe PMC PMID:12782109 Europe PMC PMID:12890690 Europe PMC PMID:14729974 Europe PMC PMID:14757966 Europe PMC PMID:14871431 Europe PMC PMID:15497767 Europe PMC PMID:15563975 Europe PMC PMID:15780941 Europe PMC PMID:15807725 Europe PMC PMID:15834926 Europe PMC PMID:15995937 Europe PMC PMID:16029679 Europe PMC PMID:16209160 Europe PMC PMID:16596767 Europe PMC PMID:16766489 Europe PMC PMID:16871361 Europe PMC PMID:17021258 Europe PMC PMID:17129213 Europe PMC PMID:18234191 Europe PMC PMID:18316796 Europe PMC PMID:18368629 Europe PMC PMID:18373238 Europe PMC PMID:18389009 Europe PMC PMID:18514428 Europe PMC PMID:18930755 Europe PMC PMID:18987186 Europe PMC PMID:19212411 Europe PMC PMID:19539713 Europe PMC PMID:19544437 Europe PMC PMID:2026685 Europe PMC PMID:21503886 Europe PMC PMID:21891976 Europe PMC PMID:21918528 Europe PMC PMID:21926578 Europe PMC PMID:22067079 Europe PMC PMID:22160932 Europe PMC PMID:22207684 Europe PMC PMID:22232263 Europe PMC PMID:22281243 Europe PMC PMID:22359146 Europe PMC PMID:22361740 Europe PMC PMID:22407380 Europe PMC PMID:22456321 Europe PMC PMID:22536229 Europe PMC PMID:22543086 Europe PMC PMID:22626821 Europe PMC PMID:22699421 Europe PMC PMID:22709272 Europe PMC PMID:22763693 Europe PMC PMID:22770225 Europe PMC PMID:23016598 Europe PMC PMID:23028781 Europe PMC PMID:23043891 Europe PMC PMID:23047329 Europe PMC PMID:24027187 Europe PMC PMID:24077178 Europe PMC PMID:24559077 Europe PMC PMID:24635573 Europe PMC PMID:25504347 Europe PMC PMID:25561219 Europe PMC PMID:31710686 Europe PMC PMID:32249824 Europe PMC PMID:33196157 Europe PMC PMID:33471934 Europe PMC PMID:8620561 Europe PMC PMID:8767167 Europe PMC PMID:9518388 Europe PMC Reaxys:383619 Reaxys nicotinamide UniProt pyridine-3-carboxamide IUPAC 3-carbamoylpyridine ChemIDplus 3-pyridinecarboxamide NIST_Chemistry_WebBook Niacinamide KEGG_COMPOUND Nicotinamid ChEBI Nicotinsaeureamid ChEBI Nikotinamid ChemIDplus Nikotinsaeureamid ChEBI Vitamin PP KEGG_COMPOUND beta-pyridinecarboxamide ChemIDplus beta-pyridinecarboxamide NIST_Chemistry_WebBook m-(aminocarbonyl)pyridine ChemIDplus niacin ChEBI niamide ChemIDplus nicotinamida WHO_MedNet nicotinamide WHO_MedNet nicotinamidum WHO_MedNet nicotine acid amide ChemIDplus nicotine amide ChemIDplus nicotinic acid amide ChemIDplus nicotinic amide ChemIDplus nicotylamide ChemIDplus pyridine-3-carboxylic acid amide ChemIDplus vitamin B3 ChemIDplus An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae. chebi_ontology amebicide amebicides amoebicide amoebicides anti-amoebic agent anti-amoebic agents anti-amoebic drug anti-amoebic drugs antiamoebic antiamoebic agents antiamoebic drug antiamoebic drugs antiamoebics CHEBI:171664 antiamoebic agent amebicide ChEBI amebicides ChEBI amoebicide ChEBI amoebicides ChEBI anti-amoebic agent ChEBI anti-amoebic agents ChEBI anti-amoebic drug ChEBI anti-amoebic drugs ChEBI antiamoebic ChEBI antiamoebic agents ChEBI antiamoebic drug ChEBI antiamoebic drugs ChEBI antiamoebics ChEBI Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N 115.13050 115.06333 OC(=O)[C@@H]1CCCN1 CHEBI:13154 CHEBI:184637 CHEBI:21373 CHEBI:42067 CHEBI:45040 CHEBI:45100 CHEBI:45159 CHEBI:6286 Beilstein:80810 CAS:147-85-3 DrugBank:DB00172 Drug_Central:4125 Gmelin:50152 HMDB:HMDB0000162 KEGG:C00148 KEGG:D00035 KNApSAcK:C00001388 MetaCyc:PRO PDBeChem:PRO PMID:11076505 PMID:12770004 PMID:14975886 PMID:15576824 PMID:15838615 PMID:15894682 PMID:15973048 PMID:16033917 PMID:16190672 PMID:16501220 PMID:16656443 PMID:16657874 PMID:16668324 PMID:17127472 PMID:17608428 PMID:18551589 PMID:18802692 PMID:18973300 PMID:19215998 PMID:19580280 PMID:19656302 PMID:19688381 PMID:19811425 PMID:22139509 PMID:22201772 PMID:22451406 PMID:22475019 PMID:22482728 PMID:22491679 PMID:22770225 Reaxys:80810 Wikipedia:L-proline L-Proline L-proline chebi_ontology (-)-(S)-proline (-)-2-pyrrolidinecarboxylic acid (-)-proline (2S)-pyrrolidine-2-carboxylic acid (S)-2-carboxypyrrolidine (S)-2-pyrrolidinecarboxylic acid (S)-pyrrolidine-2-carboxylic acid 2-Pyrrolidinecarboxylic acid L-(-)-proline L-Prolin L-alpha-pyrrolidinecarboxylic acid L-pyrrolidine-2-carboxylic acid P PROLINE prolina proline prolinum CHEBI:17203 L-proline Beilstein:80810 Beilstein CAS:147-85-3 ChemIDplus CAS:147-85-3 KEGG COMPOUND CAS:147-85-3 NIST Chemistry WebBook Drug_Central:4125 DrugCentral Gmelin:50152 Gmelin PMID:11076505 Europe PMC PMID:12770004 Europe PMC PMID:14975886 Europe PMC PMID:15576824 Europe PMC PMID:15838615 Europe PMC PMID:15894682 Europe PMC PMID:15973048 Europe PMC PMID:16033917 Europe PMC PMID:16190672 Europe PMC PMID:16501220 Europe PMC PMID:16656443 Europe PMC PMID:16657874 Europe PMC PMID:16668324 Europe PMC PMID:17127472 Europe PMC PMID:17608428 Europe PMC PMID:18551589 Europe PMC PMID:18802692 Europe PMC PMID:18973300 Europe PMC PMID:19215998 Europe PMC PMID:19580280 Europe PMC PMID:19656302 Europe PMC PMID:19688381 Europe PMC PMID:19811425 Europe PMC PMID:22139509 Europe PMC PMID:22201772 Europe PMC PMID:22451406 Europe PMC PMID:22475019 Europe PMC PMID:22482728 Europe PMC PMID:22491679 Europe PMC PMID:22770225 Europe PMC Reaxys:80810 Reaxys L-Proline KEGG_COMPOUND L-proline IUPAC (-)-(S)-proline NIST_Chemistry_WebBook (-)-2-pyrrolidinecarboxylic acid ChemIDplus (-)-proline ChemIDplus (2S)-pyrrolidine-2-carboxylic acid IUPAC (S)-2-carboxypyrrolidine DrugBank (S)-2-pyrrolidinecarboxylic acid ChemIDplus (S)-pyrrolidine-2-carboxylic acid ChEBI 2-Pyrrolidinecarboxylic acid KEGG_COMPOUND L-(-)-proline NIST_Chemistry_WebBook L-Prolin ChEBI L-alpha-pyrrolidinecarboxylic acid ChemIDplus L-pyrrolidine-2-carboxylic acid ChemIDplus P ChEBI PROLINE PDBeChem prolina ChemIDplus proline ChemIDplus prolinum ChemIDplus An aldohexose used as a source of energy and metabolic intermediate. 0 C6H12O6 180.15588 180.06339 CHEBI:14313 CHEBI:24277 CHEBI:33929 CHEBI:5418 CAS:50-99-7 KEGG:C00293 Wikipedia:Glucose Glucose gluco-hexose glucose chebi_ontology DL-glucose Glc Glukose CHEBI:17234 glucose CAS:50-99-7 KEGG COMPOUND Glucose KEGG_COMPOUND gluco-hexose IUPAC glucose IUPAC DL-glucose ChEBI Glc JCBN Glukose ChEBI A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. 0 C6H7N InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 PAYRUJLWNCNPSJ-UHFFFAOYSA-N 93.12650 93.05785 Nc1ccccc1 CHEBI:13834 CHEBI:22561 CHEBI:2732 CHEBI:40796 Beilstein:605631 CAS:62-53-3 DrugBank:DB06728 Gmelin:2796 HMDB:HMDB0003012 KEGG:C00292 MetaCyc:ANILINE PDBeChem:ANL PMID:11304127 PMID:17135213 PMID:23821252 PMID:3779628 PMID:6205897 Reaxys:605631 Wikipedia:Aniline ANILINE Aniline aniline chebi_ontology Anilin Benzenamine Phenylamine aminobenzene aminophen benzeneamine kyanol CHEBI:17296 aniline Beilstein:605631 Beilstein CAS:62-53-3 ChemIDplus CAS:62-53-3 KEGG COMPOUND CAS:62-53-3 NIST Chemistry WebBook Gmelin:2796 Gmelin PMID:11304127 Europe PMC PMID:17135213 Europe PMC PMID:23821252 Europe PMC PMID:3779628 Europe PMC PMID:6205897 Europe PMC Reaxys:605631 Reaxys ANILINE PDBeChem Aniline KEGG_COMPOUND aniline IUPAC aniline UniProt Anilin NIST_Chemistry_WebBook Benzenamine KEGG_COMPOUND Phenylamine KEGG_COMPOUND aminobenzene ChemIDplus aminophen ChemIDplus benzeneamine NIST_Chemistry_WebBook kyanol NIST_Chemistry_WebBook Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. PMID:32015325 PMID:32256352 PMID:32413317 PMID:33495651 Wikipedia:Ferroptosis chebi_ontology ferroptosis inhibitors CHEBI:173084 ferroptosis inhibitor PMID:32015325 SUBMITTER PMID:32256352 Europe PMC PMID:32413317 Europe PMC PMID:33495651 Europe PMC ferroptosis inhibitors ChEBI Any member of the group of substituted penams containing two methyl substituents at position 2, a carboxylate substituent at position 3 and a carboxamido group at position 6. 0 C9H11N2O4SR 243.26000 243.04395 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC([*])=O)C(O)=O CHEBI:14742 CHEBI:25869 CHEBI:7961 KEGG:C00395 PMID:11851248 PMID:12833570 PMID:1502708 PMID:16033609 PMID:7061385 PMID:7798534 Wikipedia:Penicillin Penicillin penicillins chebi_ontology penicillins CHEBI:17334 penicillin PMID:11851248 Europe PMC PMID:12833570 Europe PMC PMID:1502708 Europe PMC PMID:16033609 Europe PMC PMID:7061385 Europe PMC PMID:7798534 Europe PMC Penicillin KEGG_COMPOUND penicillins IUPAC penicillins ChEBI A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). -2 O3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2 LSNNMFCWUKXFEE-UHFFFAOYSA-L 80.06420 79.95791 [O-]S([O-])=O CHEBI:15139 CHEBI:45548 CAS:14265-45-3 Gmelin:1449 PDBeChem:SO3 sulfite trioxidosulfate(2-) trioxosulfate(2-) trioxosulfate(IV) chebi_ontology SO3 SO3(2-) SULFITE ION [SO3](2-) sulphite CHEBI:17359 sulfite CAS:14265-45-3 ChemIDplus Gmelin:1449 Gmelin sulfite IUPAC sulfite UniProt trioxidosulfate(2-) IUPAC trioxosulfate(2-) IUPAC trioxosulfate(IV) IUPAC SO3 ChEBI SO3(2-) IUPAC SULFITE ION PDBeChem [SO3](2-) IUPAC sulphite ChEBI A straight-chain saturated fatty acid containing five carbon atoms. 0 C5H10O2 InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) NQPDZGIKBAWPEJ-UHFFFAOYSA-N 102.13170 102.06808 CCCCC(O)=O CHEBI:113448 CHEBI:27263 CHEBI:27264 CHEBI:43606 CHEBI:44803 CHEBI:7980 Beilstein:969454 CAS:109-52-4 DrugBank:DB02406 Gmelin:26714 HMDB:HMDB0000892 KEGG:C00803 KNApSAcK:C00001208 LIPID_MAPS_instance:LMFA01010005 PDBeChem:LEA PMID:20507156 PPDB:3130 Reaxys:969454 Wikipedia:Valeric_acid Valeric acid pentanoic acid chebi_ontology 1-butanecarboxylic acid CH3-[CH2]3-COOH PENTANOIC ACID Pentanoate Pentanoic acid Valerate Valerianic acid Valeriansaeure n-BuCOOH n-Pentanoate n-Valeric acid n-pentanoic acid n-valeric acid pentoic acid propylacetic acid valeric acid, normal CHEBI:17418 valeric acid Beilstein:969454 Beilstein CAS:109-52-4 ChemIDplus CAS:109-52-4 KEGG COMPOUND CAS:109-52-4 NIST Chemistry WebBook Gmelin:26714 Gmelin LIPID_MAPS_instance:LMFA01010005 LIPID MAPS PMID:20507156 Europe PMC Reaxys:969454 Reaxys Valeric acid KEGG_COMPOUND pentanoic acid IUPAC 1-butanecarboxylic acid ChemIDplus 1-butanecarboxylic acid NIST_Chemistry_WebBook CH3-[CH2]3-COOH IUPAC PENTANOIC ACID PDBeChem Pentanoate KEGG_COMPOUND Pentanoic acid KEGG_COMPOUND Valerate KEGG_COMPOUND Valerianic acid KEGG_COMPOUND Valeriansaeure ChEBI n-BuCOOH ChEBI n-Pentanoate KEGG_COMPOUND n-Valeric acid KEGG_COMPOUND n-pentanoic acid ChemIDplus n-valeric acid ChemIDplus pentoic acid ChEBI propylacetic acid ChemIDplus valeric acid, normal ChemIDplus A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. 0 CHOR 29.018 29.00274 [H]C([*])=O CHEBI:13432 CHEBI:13753 CHEBI:13805 CHEBI:13806 CHEBI:22291 CHEBI:2554 CHEBI:8750 KEGG:C00071 Aldehyde aldehyde aldehydes chebi_ontology Aldehyd RC(=O)H RCHO aldehido aldehidos aldehydes aldehydum an aldehyde CHEBI:17478 aldehyde Aldehyde KEGG_COMPOUND aldehyde ChEBI aldehyde IUPAC aldehydes IUPAC Aldehyd ChEBI RC(=O)H IUPAC RCHO KEGG_COMPOUND aldehido ChEBI aldehidos ChEBI aldehydes ChEBI aldehydum ChEBI an aldehyde UniProt A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase. 0 C10H12N5O6P InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N 329.20614 329.05252 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O CHEBI:11673 CHEBI:1325 CHEBI:19827 CHEBI:41588 Beilstein:52645 CAS:60-92-4 DrugBank:DB02527 HMDB:HMDB0000058 KEGG:C00575 KNApSAcK:C00001497 MetaCyc:CAMP PDBeChem:CMP PMID:16295522 PMID:18372334 PMID:22770225 Reaxys:52645 Wikipedia:Cyclic_AMP 3',5'-Cyclic AMP adenosine 3',5'-(hydrogen phosphate) chebi_ontology ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE Adenosine 3',5'-cyclic phosphate Adenosine 3',5'-phosphate Cyclic AMP Cyclic adenylic acid adenosine 3',5'-cyclic monophosphate cAMP CHEBI:17489 3',5'-cyclic AMP Beilstein:52645 Beilstein CAS:60-92-4 ChemIDplus CAS:60-92-4 KEGG COMPOUND CAS:60-92-4 NIST Chemistry WebBook PMID:16295522 Europe PMC PMID:18372334 Europe PMC PMID:22770225 Europe PMC Reaxys:52645 Reaxys 3',5'-Cyclic AMP KEGG_COMPOUND adenosine 3',5'-(hydrogen phosphate) IUPAC ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE PDBeChem Adenosine 3',5'-cyclic phosphate KEGG_COMPOUND Adenosine 3',5'-phosphate KEGG_COMPOUND Cyclic AMP KEGG_COMPOUND Cyclic adenylic acid KEGG_COMPOUND adenosine 3',5'-cyclic monophosphate NIST_Chemistry_WebBook cAMP KEGG_COMPOUND A molecular entity that can undergo oxidation by the loss of hydrogen atom(s). 0 RH2 2.016 2.01565 *([H])[H] CHEBI:13233 CHEBI:15018 CHEBI:8785 KEGG:C00030 chebi_ontology AH2 Donor Hydrogen-donor Reduced acceptor CHEBI:17499 hydrogen donor AH2 KEGG_COMPOUND AH2 UniProt Donor KEGG_COMPOUND Hydrogen-donor KEGG_COMPOUND Reduced acceptor KEGG_COMPOUND A pseudohalide anion that is the conjugate base of hydrogen cyanide. -1 CN InChI=1S/CN/c1-2/q-1 XFXPMWWXUTWYJX-UHFFFAOYSA-N 26.01740 26.00362 [C-]#N CHEBI:14038 CHEBI:3969 CHEBI:41780 Beilstein:1900509 CAS:57-12-5 Gmelin:89 HMDB:HMDB0002084 KEGG:C00177 MetaCyc:CPD-13584 PDBeChem:CYN PMID:11386635 PMID:14871577 PMID:17554165 PMID:7839575 Reaxys:1900509 Wikipedia:Cyanide Cyanide cyanide nitridocarbonate(1-) chebi_ontology CN(-) CN- CYANIDE ION Prussiate Zyanid CHEBI:17514 cyanide Beilstein:1900509 Beilstein CAS:57-12-5 ChemIDplus CAS:57-12-5 KEGG COMPOUND CAS:57-12-5 NIST Chemistry WebBook Gmelin:89 Gmelin PMID:11386635 Europe PMC PMID:14871577 Europe PMC PMID:17554165 Europe PMC PMID:7839575 Europe PMC Reaxys:1900509 Reaxys Cyanide ChEBI Cyanide KEGG_COMPOUND cyanide IUPAC nitridocarbonate(1-) IUPAC CN(-) IUPAC CN- KEGG_COMPOUND CYANIDE ION PDBeChem Prussiate KEGG_COMPOUND Zyanid ChEBI A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group). 0 (CH2O)nC2H6O2 CHEBI:13754 CHEBI:22298 CHEBI:2556 KEGG:C00717 Wikipedia:Glycerin Alditol alditol chebi_ontology Glycitol Sugar alcohol alditols CHEBI:17522 alditol Alditol KEGG_COMPOUND alditol UniProt Glycitol KEGG_COMPOUND Sugar alcohol KEGG_COMPOUND alditols ChEBI The carbon oxoanion resulting from the removal of a proton from carbonic acid. -1 CHO3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 BVKZGUZCCUSVTD-UHFFFAOYSA-M 61.01684 60.99312 OC([O-])=O CHEBI:13363 CHEBI:22863 CHEBI:40961 CHEBI:5589 Beilstein:3903504 CAS:71-52-3 Gmelin:49249 HMDB:HMDB0000595 KEGG:C00288 MetaCyc:HCO3 PDBeChem:BCT PMID:17215880 PMID:17505962 PMID:18439416 PMID:28732801 PMID:29150416 PMID:29460248 PMID:29466234 PMID:4208463 Wikipedia:Bicarbonate Hydrogencarbonate hydrogen(trioxidocarbonate)(1-) hydrogencarbonate hydrogencarbonate(1-) hydrogentrioxocarbonate(1-) hydrogentrioxocarbonate(IV) hydroxidodioxidocarbonate(1-) chebi_ontology Acid carbonate BICARBONATE ION Bicarbonate HCO3(-) HCO3- [CO2(OH)](-) hydrogen carbonate CHEBI:17544 hydrogencarbonate Beilstein:3903504 Beilstein CAS:71-52-3 ChemIDplus Gmelin:49249 Gmelin PMID:17215880 Europe PMC PMID:17505962 Europe PMC PMID:18439416 Europe PMC PMID:28732801 Europe PMC PMID:29150416 Europe PMC PMID:29460248 Europe PMC PMID:29466234 Europe PMC PMID:4208463 Europe PMC Hydrogencarbonate KEGG_COMPOUND hydrogen(trioxidocarbonate)(1-) IUPAC hydrogencarbonate IUPAC hydrogencarbonate UniProt hydrogencarbonate(1-) IUPAC hydrogentrioxocarbonate(1-) IUPAC hydrogentrioxocarbonate(IV) IUPAC hydroxidodioxidocarbonate(1-) IUPAC Acid carbonate KEGG_COMPOUND BICARBONATE ION PDBeChem Bicarbonate KEGG_COMPOUND HCO3(-) IUPAC HCO3- KEGG_COMPOUND [CO2(OH)](-) IUPAC hydrogen carbonate PDBeChem A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. 0 C4H4N2O2 InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N 112.08684 112.02728 O=c1cc[nH]c(=O)[nH]1 CHEBI:15288 CHEBI:27210 CHEBI:46375 CHEBI:9882 Beilstein:606623 CAS:66-22-8 DrugBank:DB03419 Gmelin:2896 HMDB:HMDB0000300 KEGG:C00106 KEGG:D00027 KNApSAcK:C00001513 MetaCyc:URACIL PDBeChem:URA PMID:11279060 PMID:12855717 PMID:15274295 PMID:16834123 PMID:17439666 PMID:18533995 PMID:18815805 PMID:19175333 PMID:22020693 PMID:22074393 PMID:22120518 PMID:22171528 PMID:22237209 PMID:22299724 PMID:22356544 PMID:22447672 PMID:22483865 PMID:22567906 PMID:22685418 PMID:3654008 Reaxys:606623 Wikipedia:Uracil URACIL Uracil pyrimidine-2,4(1H,3H)-dione uracil chebi_ontology 2,4(1H,3H)-pyrimidinedione 2,4-Dioxopyrimidine 2,4-Pyrimidinedione U Ura Urazil CHEBI:17568 uracil Beilstein:606623 Beilstein CAS:66-22-8 ChemIDplus CAS:66-22-8 KEGG COMPOUND CAS:66-22-8 NIST Chemistry WebBook Gmelin:2896 Gmelin PMID:11279060 Europe PMC PMID:12855717 Europe PMC PMID:15274295 Europe PMC PMID:16834123 Europe PMC PMID:17439666 Europe PMC PMID:18533995 Europe PMC PMID:18815805 Europe PMC PMID:19175333 Europe PMC PMID:22020693 Europe PMC PMID:22074393 Europe PMC PMID:22120518 Europe PMC PMID:22171528 Europe PMC PMID:22237209 Europe PMC PMID:22299724 Europe PMC PMID:22356544 Europe PMC PMID:22447672 Europe PMC PMID:22483865 Europe PMC PMID:22567906 Europe PMC PMID:22685418 Europe PMC PMID:3654008 Europe PMC Reaxys:606623 Reaxys URACIL PDBeChem Uracil KEGG_COMPOUND pyrimidine-2,4(1H,3H)-dione IUPAC uracil UniProt 2,4(1H,3H)-pyrimidinedione NIST_Chemistry_WebBook 2,4-Dioxopyrimidine HMDB 2,4-Pyrimidinedione HMDB U ChEBI Ura CBN Urazil ChEBI Any D-aldose having a chain of six carbon atoms in the molecule. 0 C6H12O6 180.156 180.06339 CHEBI:12990 CHEBI:21038 chebi_ontology D-aldohexoses CHEBI:17608 D-aldohexose D-aldohexoses ChEBI 0 C18H36N4O11 InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 SBUJHOSQTJFQJX-NOAMYHISSA-N 484.49860 484.23806 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:14487 CHEBI:24945 CHEBI:24947 CHEBI:43482 CHEBI:6106 Beilstein:61647 CAS:59-01-8 DrugBank:DB01172 Drug_Central:1519 Gmelin:2044856 KEGG:C01822 LINCS:LSM-5261 PDBeChem:KAN PMID:22907688 PMID:24336356 PMID:24566637 VSDB:1921 Wikipedia:Kanamycin (1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside KANAMYCIN A Kanamycin A chebi_ontology 4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside 4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine CHEBI:17630 kanamycin A Beilstein:61647 Beilstein CAS:59-01-8 ChemIDplus CAS:59-01-8 KEGG COMPOUND Drug_Central:1519 DrugCentral Gmelin:2044856 Gmelin PMID:22907688 Europe PMC PMID:24336356 Europe PMC PMID:24566637 Europe PMC (1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside IUPAC KANAMYCIN A PDBeChem Kanamycin A KEGG_COMPOUND 4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside ChemIDplus 4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside ChemIDplus O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine ChemIDplus A glucose with D-configuration. 0 C6H12O6 180.15588 180.06339 CHEBI:12965 CHEBI:20999 CAS:50-99-7 D-gluco-hexose D-glucose chebi_ontology D(+)-glucose D-(+)-glucose Traubenzucker dextrose grape sugar CHEBI:17634 D-glucose CAS:50-99-7 ChemIDplus CAS:50-99-7 NIST Chemistry WebBook D-gluco-hexose IUPAC D-glucose IUPAC D(+)-glucose ChemIDplus D-(+)-glucose NIST_Chemistry_WebBook Traubenzucker ChemIDplus dextrose NIST_Chemistry_WebBook grape sugar ChemIDplus Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. PMID:23372317 PMID:28580190 PMID:30885572 PMID:33144142 PMID:33973253 PMID:34606237 Wikipedia:Geroprotector chebi_ontology anti-aging agent anti-aging agents anti-aging drug anti-aging drugs geroprotective agent geroprotective agents geroprotectors CHEBI:176497 geroprotector PMID:23372317 Europe PMC PMID:28580190 Europe PMC PMID:30885572 Europe PMC PMID:33144142 Europe PMC PMID:33973253 Europe PMC PMID:34606237 Europe PMC anti-aging agent ChEBI anti-aging agents ChEBI anti-aging drug ChEBI anti-aging drugs ChEBI geroprotective agent ChEBI geroprotective agents ChEBI geroprotectors ChEBI A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It is found naturally as a fermentation product of Streptomyces fradiae. 0 C46H77NO17 InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N 916.10010 915.51915 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC CHEBI:15275 CHEBI:27172 CHEBI:46150 CHEBI:9787 CAS:1401-69-0 HMDB:HMDB0034108 KEGG:C01457 KEGG:D02490 LIPID_MAPS_instance:LMPK04000004 MetaCyc:TYLOSIN PDBeChem:TYK PMID:18836909 PMID:23013044 PMID:23352520 PMID:23397987 PMID:23398744 PMID:23928021 PMID:23985521 PMID:24063615 PMID:24113548 PMID:24201036 PMID:24270892 PMID:24393633 PMID:7867337 Patent:US2004082524 Reaxys:4651020 Wikipedia:Tylosin Tylosin [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside chebi_ontology Tylan Tylocine Tylosin A tilosina tylosin tylosine tylosinum CHEBI:17658 tylosin CAS:1401-69-0 ChemIDplus CAS:1401-69-0 KEGG COMPOUND LIPID_MAPS_instance:LMPK04000004 LIPID MAPS PMID:18836909 Europe PMC PMID:23013044 Europe PMC PMID:23352520 Europe PMC PMID:23397987 Europe PMC PMID:23398744 Europe PMC PMID:23928021 Europe PMC PMID:23985521 Europe PMC PMID:24063615 Europe PMC PMID:24113548 Europe PMC PMID:24201036 Europe PMC PMID:24270892 Europe PMC PMID:24393633 Europe PMC PMID:7867337 Europe PMC Reaxys:4651020 Reaxys Tylosin KEGG_COMPOUND [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside IUPAC Tylan ChemIDplus Tylocine ChemIDplus Tylosin A ChemIDplus tilosina ChemIDplus tylosin ChemIDplus tylosine ChemIDplus tylosinum ChemIDplus Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). vitamin B3 chebi_ontology vitamin B-3 vitamin B3 vitamer vitamin B3 vitamers vitamins B3 CHEBI:176839 vitamin B3 vitamin B3 ChEBI vitamin B-3 ChEBI vitamin B3 vitamer ChEBI vitamin B3 vitamers ChEBI vitamins B3 ChEBI An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. 0 C11H12Cl2N2O5 InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 WIIZWVCIJKGZOK-RKDXNWHRSA-N 323.130 322.01233 C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O CHEBI:13965 CHEBI:23106 CHEBI:23108 CHEBI:3603 CHEBI:47327 Beilstein:2225532 CAS:56-75-7 Chemspider:5744 DrugBank:DB00446 Drug_Central:589 HMDB:HMDB0014589 KEGG:C00918 KEGG:D00104 LINCS:LSM-5256 MetaCyc:CHLORAMPHENICOL PDBeChem:CLM PMID:11468347 PMID:12217690 PMID:16659995 PMID:16897441 PMID:17217404 PMID:17692887 PMID:17963326 PMID:18559535 PMID:18657290 PMID:18794387 PMID:23142491 PMID:23317719 PMID:23395526 PMID:23494278 PMID:23512826 PMID:23698443 PMID:657786 PMID:6653106 PMID:7040026 Patent:GB795131 Patent:GB796901 Patent:US2483871 Patent:US2483884 Patent:US2483892 Patent:US2839577 Pesticides:chloramphenicol VSDB:1835 Wikipedia:Chloramphenicol 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide CHLORAMPHENICOL Chloramphenicol chloramphenicol chebi_ontology (-)-chloramphenicol Amphicol Chloramex Chlorocid Chlorocol Chloromycetin D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol Econochlor Fenicol Globenicol Halomycetin Oleomycetin Sificetina chloramphenicol chloramphenicolum chlornitromycin cloramfenicol laevomycetinum levomicetina levomycetin CHEBI:17698 chloramphenicol Beilstein:2225532 Beilstein CAS:56-75-7 ChemIDplus CAS:56-75-7 NIST Chemistry WebBook Drug_Central:589 DrugCentral PMID:11468347 Europe PMC PMID:12217690 Europe PMC PMID:16659995 Europe PMC PMID:16897441 Europe PMC PMID:17217404 Europe PMC PMID:17692887 Europe PMC PMID:17963326 Europe PMC PMID:18559535 Europe PMC PMID:18657290 Europe PMC PMID:18794387 Europe PMC PMID:23142491 Europe PMC PMID:23317719 Europe PMC PMID:23395526 Europe PMC PMID:23494278 Europe PMC PMID:23512826 Europe PMC PMID:23698443 Europe PMC PMID:657786 Europe PMC PMID:6653106 Europe PMC PMID:7040026 Europe PMC Pesticides:chloramphenicol Alan Wood's Pesticides 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide IUPAC CHLORAMPHENICOL PDBeChem Chloramphenicol KEGG_COMPOUND chloramphenicol UniProt (-)-chloramphenicol ChEBI Amphicol KEGG_DRUG Chloramex ChemIDplus Chlorocid ChemIDplus Chlorocol ChemIDplus Chloromycetin ChemIDplus D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide ChemIDplus D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol ChemIDplus Econochlor KEGG_DRUG Fenicol ChemIDplus Globenicol ChemIDplus Halomycetin ChemIDplus Oleomycetin ChemIDplus Sificetina ChemIDplus chloramphenicol WHO_MedNet chloramphenicolum WHO_MedNet chlornitromycin ChEBI cloramfenicol WHO_MedNet laevomycetinum ChemIDplus levomicetina ChemIDplus levomycetin ChemIDplus The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. 0 CH4O InChI=1S/CH4O/c1-2/h2H,1H3 OKKJLVBELUTLKV-UHFFFAOYSA-N 32.04186 32.02621 CO CHEBI:14588 CHEBI:25227 CHEBI:44080 CHEBI:44553 CHEBI:6816 Beilstein:1098229 CAS:67-56-1 Gmelin:449 HMDB:HMDB0001875 KEGG:C00132 KEGG:D02309 MetaCyc:METOH PDBeChem:MOH PMID:11141607 PMID:11430978 PMID:11489599 PMID:11680737 PMID:11684179 PMID:14012711 PMID:14678513 PMID:14760634 PMID:15172721 PMID:15906011 PMID:16705261 PMID:17451998 PMID:17733096 PMID:19064074 PMID:19850112 PMID:20314698 Reaxys:1098229 UM-BBD_compID:c0132 Wikipedia:Methanol METHANOL Methanol methanol chebi_ontology CH3OH MeOH Methyl alcohol Methylalkohol carbinol spirit of wood wood alcohol wood naphtha wood spirit CHEBI:17790 methanol Beilstein:1098229 Beilstein CAS:67-56-1 ChemIDplus CAS:67-56-1 KEGG COMPOUND CAS:67-56-1 NIST Chemistry WebBook Gmelin:449 Gmelin PMID:11141607 Europe PMC PMID:11430978 Europe PMC PMID:11489599 Europe PMC PMID:11680737 Europe PMC PMID:11684179 Europe PMC PMID:14012711 Europe PMC PMID:14678513 Europe PMC PMID:14760634 Europe PMC PMID:15172721 Europe PMC PMID:15906011 Europe PMC PMID:16705261 Europe PMC PMID:17451998 Europe PMC PMID:17733096 Europe PMC PMID:19064074 Europe PMC PMID:19850112 Europe PMC PMID:20314698 Europe PMC Reaxys:1098229 Reaxys UM-BBD_compID:c0132 UM-BBD METHANOL PDBeChem Methanol KEGG_COMPOUND methanol IUPAC methanol UniProt CH3OH ChEBI MeOH ChEBI Methyl alcohol KEGG_COMPOUND Methylalkohol NIST_Chemistry_WebBook carbinol ChemIDplus spirit of wood HMDB wood alcohol ChemIDplus wood naphtha ChemIDplus wood spirit NIST_Chemistry_WebBook A compound containing at least one carbon-halogen bond (where X is a halogen atom). 0 RX ** CHEBI:13444 CHEBI:36684 CHEBI:8767 KEGG:C01322 MetaCyc:Organohalogen-Compounds chebi_ontology RX organic halide organic halides organohalogen compounds CHEBI:17792 organohalogen compound RX KEGG_COMPOUND RX UniProt organic halide KEGG_COMPOUND organic halides ChEBI organohalogen compounds ChEBI An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. 0 C3H7NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N 105.09262 105.04259 NC(CO)C(O)=O CHEBI:15081 CHEBI:26648 CHEBI:9116 Beilstein:1721402 CAS:302-84-1 Gmelin:26429 KEGG:C00716 KNApSAcK:C00001393 Reaxys:1721402 Wikipedia:Serine Serine serine chebi_ontology 2-Amino-3-hydroxypropionic acid 2-amino-3-hydroxypropanoic acid 3-Hydroxyalanine Serin CHEBI:17822 serine Beilstein:1721402 Beilstein CAS:302-84-1 ChemIDplus CAS:302-84-1 KEGG COMPOUND CAS:302-84-1 NIST Chemistry WebBook Gmelin:26429 Gmelin Reaxys:1721402 Reaxys Serine KEGG_COMPOUND serine IUPAC 2-Amino-3-hydroxypropionic acid KEGG_COMPOUND 2-amino-3-hydroxypropanoic acid IUPAC 3-Hydroxyalanine KEGG_COMPOUND Serin ChEBI Any of a group of aminoglycoside antibiotics produced by fermentation of some Micromonospora spp. CHEBI:14293 CHEBI:24206 CHEBI:24212 CHEBI:5306 CAS:1403-66-3 DrugBank:DB00798 KEGG:C00505 4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside chebi_ontology Gentamicin gentamycins CHEBI:17833 gentamycin CAS:1403-66-3 KEGG COMPOUND 4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside IUPAC Gentamicin KEGG_COMPOUND gentamycins ChEBI A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. 0 ClH HCl InChI=1S/ClH/h1H VEXZGXHMUGYJMC-UHFFFAOYSA-N 36.46064 35.97668 Cl[H] CHEBI:13364 CHEBI:24635 CHEBI:5590 CAS:7647-01-0 Drug_Central:4568 Gmelin:322 HMDB:HMDB0002306 KEGG:C01327 KEGG:D02057 MetaCyc:HCL PMID:15823700 PMID:17492841 PMID:22804993 Reaxys:1098214 Wikipedia:HCl Wikipedia:Hydrochloric_acid Hydrogen chloride chlorane chloridohydrogen hydrogen chloride chebi_ontology Chlorwasserstoff HCl Hydrochloride Hydrogenchlorid Wasserstoffchlorid [HCl] chlorure d'hydrogene cloruro de hidrogeno hydrochloric acid CHEBI:17883 hydrogen chloride CAS:7647-01-0 ChemIDplus CAS:7647-01-0 KEGG COMPOUND CAS:7647-01-0 NIST Chemistry WebBook Drug_Central:4568 DrugCentral Gmelin:322 Gmelin PMID:15823700 Europe PMC PMID:17492841 Europe PMC PMID:22804993 Europe PMC Reaxys:1098214 Reaxys Hydrogen chloride KEGG_COMPOUND chlorane IUPAC chloridohydrogen IUPAC hydrogen chloride IUPAC Chlorwasserstoff ChEBI HCl KEGG_COMPOUND Hydrochloride KEGG_COMPOUND Hydrogenchlorid ChEBI Wasserstoffchlorid ChEBI [HCl] IUPAC chlorure d'hydrogene ChEBI cloruro de hidrogeno ChEBI hydrochloric acid ChemIDplus A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity. CHEBI:14202 CHEBI:4697 KEGG:C01351 Donor chebi_ontology Donator donneur CHEBI:17891 donor Donor KEGG_COMPOUND Donator ChEBI donneur ChEBI D-Glucopyranose having alpha-configuration at the anomeric centre. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N 180.15588 180.06339 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:10242 CHEBI:12318 CHEBI:22386 CHEBI:40557 CHEBI:42802 Beilstein:1281608 Beilstein:5730158 CAS:492-62-6 GlyGen:G58161NS GlyTouCan:G58161NS Gmelin:329225 KEGG:C00267 KNApSAcK:C00001122 PDBeChem:GLC PMID:19443021 PMID:25568069 PMID:31537530 ALPHA-D-GLUCOSE alpha-D-Glucose alpha-D-glucopyranose alpha-D-glucose chebi_ontology WURCS=2.0/1,1,0/[a2122h-1a_1-5]/1/ alpha-D-Glc alpha-dextrose CHEBI:17925 alpha-D-glucose Beilstein:1281608 Beilstein Beilstein:5730158 Beilstein CAS:492-62-6 ChemIDplus CAS:492-62-6 KEGG COMPOUND CAS:492-62-6 NIST Chemistry WebBook Gmelin:329225 Gmelin PMID:19443021 Europe PMC PMID:25568069 Europe PMC PMID:31537530 Europe PMC ALPHA-D-GLUCOSE PDBeChem alpha-D-Glucose KEGG_COMPOUND alpha-D-glucopyranose IUPAC alpha-D-glucose UniProt WURCS=2.0/1,1,0/[a2122h-1a_1-5]/1/ GlyTouCan alpha-D-Glc ChEBI alpha-dextrose ChemIDplus A halide anion formed when chlorine picks up an electron to form an an anion. -1 Cl InChI=1S/ClH/h1H/p-1 VEXZGXHMUGYJMC-UHFFFAOYSA-M 35.45270 34.96940 [Cl-] CHEBI:13291 CHEBI:13970 CHEBI:3616 CHEBI:3731 CHEBI:48804 Beilstein:3587171 CAS:16887-00-6 FooDB:FDB006557 Gmelin:14910 HMDB:HMDB0000492 KEGG:C00698 MetaCyc:CL- PDBeChem:CL PMID:38280867 PMID:38573803 PMID:38604039 UM-BBD_compID:c0884 Wikipedia:Chloride Chloride chloride chloride(1-) chebi_ontology CHLORIDE ION Chloride ion Chloride(1-) Chlorine anion Cl(-) Cl- CHEBI:17996 chloride Beilstein:3587171 Beilstein CAS:16887-00-6 ChemIDplus CAS:16887-00-6 KEGG COMPOUND CAS:16887-00-6 NIST Chemistry WebBook Gmelin:14910 Gmelin PMID:38280867 Europe PMC PMID:38573803 Europe PMC PMID:38604039 Europe PMC UM-BBD_compID:c0884 UM-BBD Chloride KEGG_COMPOUND chloride IUPAC chloride UniProt chloride(1-) IUPAC CHLORIDE ION PDBeChem Chloride ion KEGG_COMPOUND Chloride(1-) ChemIDplus Chlorine anion NIST_Chemistry_WebBook Cl(-) IUPAC Cl- KEGG_COMPOUND 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. CHEBI:14517 CHEBI:25054 CHEBI:6486 KEGG:C01356 Lipid lipids chebi_ontology CHEBI:18059 lipid Lipid KEGG_COMPOUND lipids IUPAC Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose). CHEBI:14399 CHEBI:24590 CHEBI:5709 GlyGen:G70994MS GlyTouCan:G70994MS KEGG:C00738 Hexose chebi_ontology WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/ hexoses CHEBI:18133 hexose Hexose KEGG_COMPOUND WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/ GlyTouCan hexoses ChEBI 0 HX 1.008 1.00783 *[H] CHEBI:13368 CHEBI:37140 CHEBI:5599 hydrogen halide hydrogen halides chebi_ontology hydrogen halides CHEBI:18140 hydrogen halide hydrogen halide IUPAC hydrogen halides IUPAC hydrogen halides ChEBI A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. CHEBI:14864 CHEBI:26205 CHEBI:8322 KEGG:C00420 Polysaccharide polysaccharides chebi_ontology Glycan Glycane Glykan Glykane glycans polisacarido polisacaridos CHEBI:18154 polysaccharide Polysaccharide KEGG_COMPOUND polysaccharides IUPAC Glycan KEGG_COMPOUND Glycane ChEBI Glykan ChEBI Glykane ChEBI glycans IUPAC polisacarido ChEBI polisacaridos IUPAC A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. 0 C16H18N2O4S InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 JGSARLDLIJGVTE-MBNYWOFBSA-N 334.392 334.09873 N12C([C@H]([C@]1(SC([C@@H]2C(O)=O)(C)C)[H])NC(CC3=CC=CC=C3)=O)=O CHEBI:14743 CHEBI:25866 CHEBI:45073 CHEBI:7962 Beilstein:44740 CAS:61-33-6 DrugBank:DB01053 Drug_Central:2082 Gmelin:781913 HMDB:HMDB0015186 KEGG:C05551 KEGG:D02336 LINCS:LSM-3229 PDBeChem:PNN PMID:10930630 PMID:11431418 PMID:11906332 PMID:12569987 PMID:12850488 PMID:1384868 PMID:16033609 PMID:1709917 PMID:2083978 PMID:24485692 PMID:24631718 PMID:25998949 PMID:27731424 PMID:29017833 PMID:29355985 PMID:6161899 PMID:7602118 PMID:7716788 Patent:US3024169 Reaxys:44740 Wikipedia:Benzylpenicillin 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid Benzylpenicillin chebi_ontology (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(2-phenylacetamido)penicillanic acid PCG PENICILLIN G PG Penicillin G bencilpenicilina bensylpenicillin benzyl benicillin benzylpenicillin benzylpenicilline benzylpenicillinic acid benzylpenicillinum free penicillin II CHEBI:18208 benzylpenicillin Beilstein:44740 Beilstein CAS:61-33-6 ChemIDplus CAS:61-33-6 KEGG COMPOUND Drug_Central:2082 DrugCentral Gmelin:781913 Gmelin PMID:10930630 Europe PMC PMID:11431418 Europe PMC PMID:11906332 Europe PMC PMID:12569987 Europe PMC PMID:12850488 Europe PMC PMID:1384868 Europe PMC PMID:16033609 Europe PMC PMID:1709917 Europe PMC PMID:2083978 Europe PMC PMID:24485692 Europe PMC PMID:24631718 Europe PMC PMID:25998949 Europe PMC PMID:27731424 Europe PMC PMID:29017833 Europe PMC PMID:29355985 Europe PMC PMID:6161899 Europe PMC PMID:7602118 Europe PMC PMID:7716788 Europe PMC Reaxys:44740 Reaxys 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid IUPAC Benzylpenicillin KEGG_COMPOUND (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChEBI 6-(2-phenylacetamido)penicillanic acid ChemIDplus PCG ChEBI PENICILLIN G PDBeChem PG ChEBI Penicillin G KEGG_COMPOUND bencilpenicilina ChemIDplus bensylpenicillin ChEBI benzyl benicillin ChEBI benzylpenicillin KEGG_DRUG benzylpenicilline ChemIDplus benzylpenicillinic acid ChemIDplus benzylpenicillinum ChemIDplus free penicillin II ChemIDplus Any nucleoside where the sugar component is D-ribose. 0 C5H9O4R 133.123 133.05008 OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O CHEBI:13014 CHEBI:13015 CHEBI:13685 CHEBI:21085 CHEBI:26560 CHEBI:4240 CHEBI:8844 KEGG:C00911 Ribonucleoside chebi_ontology a ribonucleoside ribonucleosides CHEBI:18254 ribonucleoside Ribonucleoside KEGG_COMPOUND a ribonucleoside UniProt ribonucleosides ChEBI An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. 0 C5H12N2O2 InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N 132.16106 132.08988 NCCCC(N)C(O)=O CHEBI:7784 Beilstein:1722296 CAS:616-07-9 Gmelin:847696 KEGG:C01602 KNApSAcK:C00001384 PMID:15449570 PMID:17190852 PMID:22264337 Reaxys:1722296 2,5-diaminopentanoic acid Ornithine ornithine chebi_ontology 2,5-Diaminopentanoic acid 2,5-Diaminovaleric acid DL-Ornithine Orn CHEBI:18257 ornithine Beilstein:1722296 Beilstein CAS:616-07-9 ChemIDplus Gmelin:847696 Gmelin PMID:15449570 Europe PMC PMID:17190852 Europe PMC PMID:22264337 Europe PMC Reaxys:1722296 Reaxys 2,5-diaminopentanoic acid IUPAC Ornithine KEGG_COMPOUND ornithine IUPAC 2,5-Diaminopentanoic acid KEGG_COMPOUND 2,5-Diaminovaleric acid KEGG_COMPOUND DL-Ornithine ChemIDplus Orn IUPAC That part of DNA or RNA that may be involved in pairing. CHEBI:13873 CHEBI:25598 CHEBI:2995 KEGG:C00701 Wikipedia:Nucleobase chebi_ontology Base nucleobases CHEBI:18282 nucleobase Base KEGG_COMPOUND nucleobases ChEBI 0 Mn InChI=1S/Mn PWHULOQIROXLJO-UHFFFAOYSA-N 54.93805 54.93804 [Mn] CHEBI:13382 CHEBI:25153 CHEBI:6681 CAS:7439-96-5 KEGG:C00034 WebElements:Mn manganese chebi_ontology 25Mn Mangan Manganese Mn manganese manganeso manganum CHEBI:18291 manganese atom CAS:7439-96-5 ChemIDplus CAS:7439-96-5 KEGG COMPOUND manganese IUPAC 25Mn IUPAC Mangan NIST_Chemistry_WebBook Manganese KEGG_COMPOUND Mn IUPAC Mn UniProt manganese ChEBI manganeso ChEBI manganum ChEBI An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. 0 CH3R 15.035 15.02348 C[*] CHEBI:13435 CHEBI:22317 CHEBI:2576 KEGG:C01371 Alkane alkane alkanes chebi_ontology Alkan RH alcane alcanes alcano alcanos an alkane CHEBI:18310 alkane Alkane KEGG_COMPOUND alkane IUPAC alkanes IUPAC Alkan ChEBI RH KEGG_COMPOUND alcane IUPAC alcanes IUPAC alcano IUPAC alcanos IUPAC an alkane UniProt The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. 0 C4H10O2S2 InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2 VHJLVAABSRFDPM-UHFFFAOYSA-N 154.25100 154.01222 OC(CS)C(O)CS CHEBI:11174 CHEBI:23854 CHEBI:4664 Beilstein:8144556 CAS:3483-12-3 DrugBank:DB04447 KEGG:C00265 LINCS:LSM-36870 PMID:16901854 PMID:18022205 PMID:23673948 PMID:24124079 PMID:7592847 1,4-Dithiothreitol 1,4-dithiothreitol rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol chebi_ontology (R*,R*)-1,4-dimercapto-2,3-butanediol Cleland's reagent DL-threo-1,4-Dimercapto-2,3-butanediol DTL DTT Dithiothreitol Dithiotreitol rac-Dithiothreitol threo-1,4-Dimercapto-2,3-butanediol CHEBI:18320 1,4-dithiothreitol Beilstein:8144556 Beilstein CAS:3483-12-3 ChemIDplus CAS:3483-12-3 KEGG COMPOUND CAS:3483-12-3 NIST Chemistry WebBook PMID:16901854 Europe PMC PMID:18022205 Europe PMC PMID:23673948 Europe PMC PMID:24124079 Europe PMC PMID:7592847 Europe PMC 1,4-Dithiothreitol KEGG_COMPOUND 1,4-dithiothreitol UniProt rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol IUPAC (R*,R*)-1,4-dimercapto-2,3-butanediol NIST_Chemistry_WebBook Cleland's reagent NIST_Chemistry_WebBook DL-threo-1,4-Dimercapto-2,3-butanediol ChemIDplus DTL ChEBI DTT ChEBI Dithiothreitol KEGG_COMPOUND Dithiotreitol ChemIDplus rac-Dithiothreitol ChemIDplus threo-1,4-Dimercapto-2,3-butanediol KEGG_COMPOUND A phosphate ion that is the conjugate base of hydrogenphosphate. -3 O4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 NBIIXXVUZAFLBC-UHFFFAOYSA-K 94.97136 94.95507 [O-]P([O-])([O-])=O CHEBI:14791 CHEBI:45024 CHEBI:7793 Beilstein:3903772 CAS:14265-44-2 Gmelin:1997 KEGG:C00009 PDBeChem:PO4 Reaxys:3903772 Wikipedia:Phosphate phosphate tetraoxidophosphate(3-) tetraoxophosphate(3-) tetraoxophosphate(V) chebi_ontology Orthophosphate PHOSPHATE ION PO4(3-) Phosphate [PO4](3-) CHEBI:18367 phosphate(3-) Beilstein:3903772 Beilstein CAS:14265-44-2 ChemIDplus CAS:14265-44-2 KEGG COMPOUND Gmelin:1997 Gmelin PDBeChem:PO4 ChEBI Reaxys:3903772 Reaxys phosphate IUPAC tetraoxidophosphate(3-) IUPAC tetraoxophosphate(3-) IUPAC tetraoxophosphate(V) IUPAC Orthophosphate KEGG_COMPOUND PHOSPHATE ION PDBeChem PO4(3-) IUPAC Phosphate KEGG_COMPOUND [PO4](3-) IUPAC A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate. 0 C5H7O5PR2 178.07980 178.00311 OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1 CHEBI:1331 CHEBI:14672 CHEBI:19833 chebi_ontology nucleoside 3',5'-cyclic phosphates CHEBI:18375 nucleoside 3',5'-cyclic phosphate nucleoside 3',5'-cyclic phosphates ChEBI A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it. 0 CNR 26.01740 26.00307 [*]C#N CHEBI:13212 CHEBI:13426 CHEBI:13660 CHEBI:25547 CHEBI:7584 KEGG:C00726 Nitrile nitrile nitriles chebi_ontology Nitril R-CN a nitrile nitrilos CHEBI:18379 nitrile Nitrile KEGG_COMPOUND nitrile IUPAC nitriles IUPAC Nitril ChEBI R-CN KEGG_COMPOUND a nitrile UniProt nitrilos IUPAC A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom 0 CHN InChI=1S/CHN/c1-2/h1H LELOWRISYMNNSU-UHFFFAOYSA-N 27.02530 27.01090 C#N CHEBI:13362 CHEBI:5786 CAS:74-90-8 HMDB:HMDB0060292 KEGG:C01326 KNApSAcK:C00007569 MetaCyc:HCN PMID:19849830 PMID:26700190 PMID:26778429 PMID:26823582 PMID:26940198 PMID:27123778 Reaxys:1718793 Wikipedia:Hydrogen_cyanide Hydrogen cyanide hydridonitridocarbon hydrogen cyanide hydrogen(nitridocarbonate) methanenitrile chebi_ontology Blausaeure Cyanwasserstoff HCN [CHN] formonitrile hydrocyanic acid CHEBI:18407 hydrogen cyanide CAS:74-90-8 ChemIDplus CAS:74-90-8 KEGG COMPOUND CAS:74-90-8 NIST Chemistry WebBook PMID:19849830 Europe PMC PMID:26700190 Europe PMC PMID:26778429 Europe PMC PMID:26823582 Europe PMC PMID:26940198 Europe PMC PMID:27123778 Europe PMC Reaxys:1718793 Reaxys Hydrogen cyanide KEGG_COMPOUND hydridonitridocarbon IUPAC hydrogen cyanide IUPAC hydrogen cyanide UniProt hydrogen(nitridocarbonate) IUPAC methanenitrile IUPAC Blausaeure ChEBI Cyanwasserstoff NIST_Chemistry_WebBook HCN KEGG_COMPOUND [CHN] IUPAC formonitrile IUPAC hydrocyanic acid NIST_Chemistry_WebBook A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3. +2 C8H20N6O4 InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/p+2/t1-,2+,3-,4+,5-,6- MSXMXWJPFIDEMT-FAEUDGQSSA-P 264.285 264.15351 NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=[NH2+])[C@@H]1O {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium) chebi_ontology streptidine streptidine dication {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium) CHEBI:184376 streptidine(2+) {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium) IUPAC streptidine UniProt streptidine dication ChEBI {[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium) IUPAC 0 C66H103N17O16S InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1 CLKOFPXJLQSYAH-ABRJDSQDSA-N 1422.710 1421.74894 [C@@H]1(C(N[C@H](CC=2C=CC=CC2)C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(NCCCC[C@@H](C(N[C@@H](C(N1)=O)CCC[NH3+])=O)NC([C@@H](NC([C@H](NC([C@@H](NC([C@H]3N=C(SC3)[C@H]([C@H](CC)C)[NH3+])=O)CC(C)C)=O)CCC([O-])=O)=O)[C@@H](C)CC)=O)=O)CC(N)=O)=O)CC(=O)[O-])=O)CC4=CNC=N4)=O)[C@@H](C)CC MetaCyc:CPD-19353 chebi_ontology bacitracin A CHEBI:184381 bacitracin A zwitterion MetaCyc:CPD-19353 SUBMITTER bacitracin A UniProt A lactone having a six-membered lactone ring. delta-lactone chebi_ontology 1,5-lactone 1,5-lactones delta-lactona delta-lactonas delta-lactones CHEBI:18946 delta-lactone delta-lactone ChEBI 1,5-lactone ChEBI 1,5-lactones ChEBI delta-lactona ChEBI delta-lactonas ChEBI delta-lactones ChEBI A potassium salt that lacks C-H bonds chebi_ontology CHEBI:190303 inorganic potassium salt Zwitterionic form of imipenem having an anionic carboxy group and a protonated methaneimidamido group; major species at pH 7.3. 0 C12H17N3O4S InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1 ZSKVGTPCRGIANV-ZXFLCMHBSA-N 299.350 299.09398 [H]C(=[NH2+])NCCSC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1)C([O-])=O (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminiomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate chebi_ontology imipenem CHEBI:190509 imipenem zwitterion (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminiomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC imipenem UniProt chebi_ontology 11alpha-hydroxy steroids CHEBI:19129 11alpha-hydroxy steroid 11alpha-hydroxy steroids ChEBI A zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. 0 C17H18FN3O3 InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) MYSWGUAQZAJSOK-UHFFFAOYSA-N 331.347 331.13322 [O-]C(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O MetaCyc:CPD-12843 PMID:11202360 PMID:12084502 PMID:21368411 PMID:9303400 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate chebi_ontology CHEBI:192484 ciprofloxacin zwitterion PMID:11202360 SUBMITTER PMID:12084502 SUBMITTER PMID:21368411 Europe PMC PMID:9303400 SUBMITTER 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate IUPAC A secondary ammonium ion that is the conjugate acid of ciprofloxacin resulting from the protonation of the NH group; major species at acidic pH. +1 C17H19FN3O3 InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1 MYSWGUAQZAJSOK-UHFFFAOYSA-O 332.355 332.14050 OC(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O PMID:35371545 4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium chebi_ontology ciprofloxacin cation CHEBI:192486 ciprofloxacin(1+) PMID:35371545 Europe PMC 4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium IUPAC ciprofloxacin cation ChEBI 0 C47H75NO16 InChI=1S/C47H75NO16/c1-28-18-15-13-11-9-7-5-6-8-10-12-14-16-21-36(63-46-44(57)41(48)43(56)31(4)62-46)25-38-40(45(58)59)37(53)27-47(60,64-38)26-33(50)20-17-19-32(49)22-34(51)23-35(52)24-39(54)61-30(3)29(2)42(28)55/h5-6,8,10-16,18,21,28-38,40-44,46,49-53,55-57,60H,7,9,17,19-20,22-27,48H2,1-4H3,(H,58,59)/b6-5+,10-8+,13-11+,14-12+,18-15+,21-16+/t28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 RALQCAVZSAUESR-XTEMEEEFSA-N 910.108 909.50859 [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 CAS:65086-32-0 PMID:15504830 (1R,3S,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,7,9,11,17,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid nystatin A2 chebi_ontology CHEBI:192979 nystatin A2 CAS:65086-32-0 ChemIDplus PMID:15504830 Europe PMC (1R,3S,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,7,9,11,17,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid IUPAC nystatin A2 ChemIDplus An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively. 0 C18H20FN3O4 InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) GSDSWSVVBLHKDQ-UHFFFAOYSA-N 361.373 361.14378 CC1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid chebi_ontology CHEBI:194135 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid IUPAC chebi_ontology 3',5'-cyclic purine nucleotides CHEBI:19834 3',5'-cyclic purine nucleotide 3',5'-cyclic purine nucleotides ChEBI A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. 0 C16H17N5O7S2 InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1 GPRBEKHLDVQUJE-QSWIMTSFSA-N 455.46500 455.05694 [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O CHEBI:112504 CHEBI:3497 CHEBI:41475 Beilstein:1096643 CAS:63527-52-6 DrugBank:DB00493 Drug_Central:546 KEGG:C06885 KEGG:D07647 PDBeChem:CE3 PMID:10866367 PMID:11034276 PMID:11061623 PMID:11677129 PMID:12833570 PMID:1384868 PMID:14512220 PMID:1502708 PMID:15164972 PMID:15361989 PMID:15969234 PMID:1635063 PMID:17006042 PMID:17386217 PMID:18611527 PMID:19741292 PMID:21425867 PMID:24038683 PMID:24211456 PMID:29017833 PMID:9131470 Patent:DE2556736 Patent:DE2702501 Patent:US4098888 Patent:US4152432 Reaxys:1096643 Wikipedia:Cefotaxime 3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cephotaxime cefotaxima cefotaxime cefotaximum CHEBI:204928 cefotaxime Beilstein:1096643 Beilstein CAS:63527-52-6 ChemIDplus CAS:63527-52-6 DrugBank CAS:63527-52-6 KEGG COMPOUND CAS:63527-52-6 KEGG DRUG Drug_Central:546 DrugCentral PMID:10866367 ChEMBL PMID:11034276 Europe PMC PMID:11061623 Europe PMC PMID:11677129 ChEMBL PMID:12833570 Europe PMC PMID:1384868 Europe PMC PMID:14512220 Europe PMC PMID:1502708 Europe PMC PMID:15164972 Europe PMC PMID:15361989 Europe PMC PMID:15969234 Europe PMC PMID:1635063 ChEMBL PMID:17006042 Europe PMC PMID:17386217 Europe PMC PMID:18611527 Europe PMC PMID:19741292 Europe PMC PMID:21425867 Europe PMC PMID:24038683 Europe PMC PMID:24211456 Europe PMC PMID:29017833 Europe PMC PMID:9131470 Europe PMC Reaxys:1096643 Reaxys 3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid IUPAC (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChEMBL (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChEMBL Cephotaxime ChemIDplus cefotaxima ChemIDplus cefotaxime KEGG_DRUG cefotaximum ChemIDplus A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase. chebi_ontology CHEBI:20854 ATP synthase inhibitor A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase. 0 C16H17N3O7S2 InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1 WZOZEZRFJCJXNZ-ZBFHGGJFSA-N 427.45200 427.05079 [H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)Cc1cccs1)OC)C(O)=O CHEBI:3500 CHEBI:41436 CHEBI:471714 CHEBI:658070 Beilstein:4216947 CAS:35607-66-0 DrugBank:DB01331 Drug_Central:550 HMDB:HMDB0015426 KEGG:C06887 KEGG:D02345 LINCS:LSM-5786 PDBeChem:CFX PMID:12569987 PMID:17043131 PMID:17178800 PMID:17220412 PMID:17353248 PMID:17387156 PMID:17923492 PMID:18056283 PMID:18070972 PMID:2083978 PMID:29017833 PMID:8360877 Patent:DE2129675 Patent:DE2203653 Patent:US4297488 Reaxys:4216947 Wikipedia:Cefoxitin (6R,7S)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid Cefoxitin chebi_ontology (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CFX Cephoxitin Rephoxitin cefoxitin cefoxitina cefoxitine cefoxitinum ceftoxitin CHEBI:209807 cefoxitin Beilstein:4216947 Beilstein CAS:35607-66-0 ChemIDplus CAS:35607-66-0 KEGG COMPOUND Drug_Central:550 DrugCentral PMID:12569987 Europe PMC PMID:17043131 ChEMBL PMID:17178800 ChEMBL PMID:17220412 ChEMBL PMID:17353248 ChEMBL PMID:17387156 ChEMBL PMID:17923492 ChEMBL PMID:18056283 ChEMBL PMID:18070972 ChEMBL PMID:2083978 Europe PMC PMID:29017833 Europe PMC PMID:8360877 ChEMBL Reaxys:4216947 Reaxys (6R,7S)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid IUPAC Cefoxitin ChemIDplus (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC CFX KEGG_DRUG Cephoxitin ChemIDplus Rephoxitin ChemIDplus cefoxitin KEGG_DRUG cefoxitina ChemIDplus cefoxitine ChemIDplus cefoxitinum ChemIDplus ceftoxitin ChemIDplus N-acylglucosamine chebi_ontology N-acylglucosamines CHEBI:21638 N-acylglucosamine N-acylglucosamine ChEBI N-acylglucosamines ChEBI N-acyl-hexosamine chebi_ontology N-acyl-hexosamines CHEBI:21656 N-acyl-hexosamine N-acyl-hexosamine ChEBI N-acyl-hexosamines ChEBI A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond. glycosylamine chebi_ontology N-glycoside N-glycosides N-glycosyl compounds glycosylamines CHEBI:21731 N-glycosyl compound glycosylamine IUPAC N-glycoside ChEBI N-glycosides ChEBI N-glycosyl compounds ChEBI glycosylamines IUPAC A substance used to destroy pests of the subclass Acari (mites and ticks). Wikipedia:Acaricide chebi_ontology Akarizid Akarizide acaricides miticide CHEBI:22153 acaricide Akarizid ChEBI Akarizide ChEBI acaricides ChEBI miticide ChEBI Compounds with the general formula RNHC(=O)CH3. chebi_ontology CHEBI:22160 acetamides An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids. acyl group alkanoyl chebi_ontology acyl groups alkanoyl group groupe acyle CHEBI:22221 acyl group acyl group IUPAC alkanoyl IUPAC acyl groups ChEBI alkanoyl group ChEBI groupe acyle IUPAC alkali metals chebi_ontology Alkalimetall Alkalimetalle alkali metal metal alcalin metal alcalino metales alcalinos metaux alcalins CHEBI:22314 alkali metal atom alkali metals IUPAC Alkalimetall ChEBI Alkalimetalle ChEBI alkali metal ChEBI metal alcalin ChEBI metal alcalino ChEBI metales alcalinos ChEBI metaux alcalins ChEBI Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids. Wikipedia:Alkaloid Alkaloid alkaloids chebi_ontology Alkaloide alcaloide alcaloides CHEBI:22315 alkaloid Alkaloid ChEBI alkaloids IUPAC Alkaloide ChEBI alcaloide ChEBI alcaloides ChEBI A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom. alkyl group alkyl groups chebi_ontology groupe alkyle grupo alquilo grupos alquilo CHEBI:22323 alkyl group alkyl group IUPAC alkyl groups IUPAC groupe alkyle IUPAC grupo alquilo IUPAC grupos alquilo IUPAC alpha-D-glucoside chebi_ontology alpha-D-glucosides an alpha-D-glucoside CHEBI:22390 alpha-D-glucoside alpha-D-glucoside ChEBI alpha-D-glucosides ChEBI an alpha-D-glucoside UniProt An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. chebi_ontology amino alcohols aminoalcohol aminoalcohols CHEBI:22478 amino alcohol amino alcohols ChEBI aminoalcohol ChEBI aminoalcohols ChEBI amino cyclitol glycoside chebi_ontology amino cyclitol glycosides CHEBI:22479 amino cyclitol glycoside amino cyclitol glycoside ChEBI amino cyclitol glycosides ChEBI chebi_ontology aminobenzoates CHEBI:22494 aminobenzoate aminobenzoates ChEBI 0 C7H7NO2 137.136 137.04768 aminobenzoic acid chebi_ontology Aminobenzoesaeure CHEBI:22495 aminobenzoic acid aminobenzoic acid IUPAC Aminobenzoesaeure ChEBI chebi_ontology aminoglycans CHEBI:22506 aminoglycan aminoglycans ChEBI chebi_ontology aminoglycoside antibiotics CHEBI:22507 aminoglycoside antibiotic aminoglycoside antibiotics ChEBI Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives. chebi_ontology CHEBI:22562 anilines A monoatomic or polyatomic species having one or more elementary charges of the electron. Anion anion chebi_ontology Anionen aniones anions CHEBI:22563 anion Anion ChEBI anion ChEBI anion IUPAC Anionen ChEBI aniones ChEBI anions IUPAC A class of macrocyclic lactams that consist of an aromatic (phenyl or naphthyl) or quinonoid (benzoquinone or naphthoquinone) moiety that is bridged by an aliphatic chain. Wikipedia:Ansamycin chebi_ontology CHEBI:22565 ansamycin A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. chebi_ontology antioxidants antioxydant antoxidant CHEBI:22586 antioxidant antioxidants ChEBI antioxydant ChEBI antoxidant ChEBI A substance that destroys or inhibits replication of viruses. chebi_ontology anti-viral agent anti-viral agents antiviral antiviral agents antivirals CHEBI:22587 antiviral agent anti-viral agent ChEBI anti-viral agents ChEBI antiviral ChEBI antiviral agents ChEBI antivirals ChEBI arabinoside chebi_ontology arabinosides CHEBI:22601 arabinoside arabinoside ChEBI arabinosides ChEBI A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system. chebi_ontology arenecarboxamides CHEBI:22645 arenecarboxamide arenecarboxamides ChEBI A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). KEGG:C00701 Base base chebi_ontology Base1 Base2 Basen Nucleobase bases CHEBI:22695 base Base ChEBI base ChEBI base IUPAC Base1 KEGG_COMPOUND Base2 KEGG_COMPOUND Basen ChEBI Nucleobase KEGG_COMPOUND bases ChEBI chebi_ontology CHEBI:22702 benzamides Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. chebi_ontology CHEBI:22712 benzenes chebi_ontology arenesulfonates CHEBI:22713 arenesulfonate oxoanion arenesulfonates ChEBI An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. chebi_ontology CHEBI:22715 benzimidazoles A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid. chebi_ontology benzoate anion CHEBI:22718 benzoates benzoate anion ChEBI Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. chebi_ontology CHEBI:22723 benzoic acids Wikipedia:Benzopyran chebi_ontology benzopyrans CHEBI:22727 benzopyran benzopyrans ChEBI chebi_ontology benzopyrroles CHEBI:22728 benzopyrrole benzopyrroles ChEBI Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. chebi_ontology NMR chemical shift reference compounds NMR chemical shift standard NMR chemical shift standards NMR internal standard NMR internal standards NMR reference standard NMR reference standards CHEBI:228364 NMR chemical shift reference compound NMR chemical shift reference compounds ChEBI NMR chemical shift standard ChEBI NMR chemical shift standards ChEBI NMR internal standard ChEBI NMR internal standards ChEBI NMR reference standard ChEBI NMR reference standards ChEBI Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond. chebi_ontology CHEBI:22888 biphenyls A glycopeptide produced by the bacterium Streptomyces verticillus. The term, 'bleomycin' refers to a family of structurally related compounds. When used as an anti-cancer agent, the chemotherapeutical forms are primarily bleomycin A2 and B2. CHEBI:584977 DrugBank:DB00290 Wikipedia:Bleomycin chebi_ontology CHEBI:22907 bleomycin An insecticide compound naturally occurring in plants. chebi_ontology botanical insecticide botanical insecticides phytogenic insecticides CHEBI:22917 phytogenic insecticide botanical insecticide ChEBI botanical insecticides ChEBI phytogenic insecticides ChEBI A diol that is a butanediol or a derivative of a butanediol. chebi_ontology CHEBI:22944 butanediols A monocarboxylic acid anion that is the conjugate base of sulbactam resulting from the deprotonation of the carboxy group; Major species at pH 7.3. -1 C8H10NO5S InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/p-1/t5-,6+/m1/s1 FKENQMMABCRJMK-RITPCOANSA-M 232.230 232.02852 [H][C@@]12CC(=O)N1[C@@H](C([O-])=O)C(C)(C)S2(=O)=O (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide chebi_ontology sulbactam anion CHEBI:229543 sulbactam(1-) (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide IUPAC sulbactam anion ChEBI chebi_ontology calcium ionophores CHEBI:22986 calcium ionophore calcium ionophores ChEBI Any ester of carbamic acid or its N-substituted derivatives. Wikipedia:Carbamate chebi_ontology carbamate esters carbamates CHEBI:23003 carbamate ester carbamate esters ChEBI carbamates ChEBI The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid. 0 CH2NO 44.03272 44.01364 *C(N)=O PMID:24168430 carbamoyl chebi_ontology -C(O)NH2 -CONH2 aminocarbonyl carbamyl carbamyl group carboxamide CHEBI:23004 carbamoyl group PMID:24168430 Europe PMC carbamoyl IUPAC -C(O)NH2 ChEBI -CONH2 IUPAC aminocarbonyl IUPAC carbamyl ChEBI carbamyl group ChEBI carboxamide IUPAC Any carbohydrate derivative that exhibits antibiotic activity. chebi_ontology CHEBI:23007 carbohydrate-containing antibiotic An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule. Wikipedia:Carbonic_anhydrase_inhibitor chebi_ontology EC 4.2.1.1 (carbonic anhydrase) inhibitors EC 4.2.1.1 inhibitor EC 4.2.1.1 inhibitors anhydrase inhibitor anhydrase inhibitors carbonate anhydrase inhibitor carbonate anhydrase inhibitors carbonate dehydratase inhibitor carbonate dehydratase inhibitors carbonate hydro-lyase (carbon-dioxide-forming) inhibitor carbonate hydro-lyase (carbon-dioxide-forming) inhibitors carbonate hydro-lyase inhibitor carbonate hydro-lyase inhibitors carbonic acid anhydrase inhibitor carbonic acid anhydrase inhibitors carbonic anhydrase (EC 4.2.1.1) inhibitor carbonic anhydrase (EC 4.2.1.1) inhibitors carbonic anhydrase A inhibitor carbonic anhydrase A inhibitors carbonic anhydrase inhibitor carbonic anhydrase inhibitors carboxyanhydrase inhibitor carboxyanhydrase inhibitors CHEBI:23018 EC 4.2.1.1 (carbonic anhydrase) inhibitor EC 4.2.1.1 (carbonic anhydrase) inhibitors ChEBI EC 4.2.1.1 inhibitor ChEBI EC 4.2.1.1 inhibitors ChEBI anhydrase inhibitor ChEBI anhydrase inhibitors ChEBI carbonate anhydrase inhibitor ChEBI carbonate anhydrase inhibitors ChEBI carbonate dehydratase inhibitor ChEBI carbonate dehydratase inhibitors ChEBI carbonate hydro-lyase (carbon-dioxide-forming) inhibitor ChEBI carbonate hydro-lyase (carbon-dioxide-forming) inhibitors ChEBI carbonate hydro-lyase inhibitor ChEBI carbonate hydro-lyase inhibitors ChEBI carbonic acid anhydrase inhibitor ChEBI carbonic acid anhydrase inhibitors ChEBI carbonic anhydrase (EC 4.2.1.1) inhibitor ChEBI carbonic anhydrase (EC 4.2.1.1) inhibitors ChEBI carbonic anhydrase A inhibitor ChEBI carbonic anhydrase A inhibitors ChEBI carbonic anhydrase inhibitor ChEBI carbonic anhydrase inhibitors ChEBI carboxyanhydrase inhibitor ChEBI carboxyanhydrase inhibitors ChEBI 0 CO 28.01010 27.99491 O=C(*)* carbonyl carbonyl group chebi_ontology >C=O CHEBI:23019 carbonyl group carbonyl IUPAC carbonyl group ChEBI carbonyl group UniProt >C=O IUPAC A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of 1,3-beta-glucan synthase (EC 2.4.1.34). Wikipedia:1,3-Beta-glucan_synthase chebi_ontology (1,3)-beta-glucan (callose) synthase inhibitor (1,3)-beta-glucan (callose) synthase inhibitors 1,3-beta-D-glucan synthase inhibitor 1,3-beta-D-glucan synthase inhibitors 1,3-beta-D-glucan synthetase inhibitor 1,3-beta-D-glucan synthetase inhibitors 1,3-beta-D-glucan--UDP glucosyltransferase inhibitor 1,3-beta-D-glucan--UDP glucosyltransferase inhibitors 1,3-beta-D-glucan-UDP glucosyltransferase inhibitor 1,3-beta-D-glucan-UDP glucosyltransferase inhibitors 1,3-beta-glucan synthase inhibitor 1,3-beta-glucan synthase inhibitors 1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitor 1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitors EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitors EC 2.4.1.34 inhibitor EC 2.4.1.34 inhibitors GS-II inhibitor GS-II inhibitors UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitor UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitors UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitor UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitors UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitor UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitors UDP-glucose-beta-glucan glucosyltransferase inhibitor UDP-glucose-beta-glucan glucosyltransferase inhibitors UDP-glucose:(1,3)beta-glucan synthase inhibitor UDP-glucose:(1,3)beta-glucan synthase inhibitors UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitor UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitors beta-1,3-glucan synthase inhibitor beta-1,3-glucan synthase inhibitors beta-1,3-glucan synthetase inhibitor beta-1,3-glucan synthetase inhibitors callose synthase inhibitor callose synthase inhibitors callose synthetase inhibitor callose synthetase inhibitors paramylon synthetase inhibitor paramylon synthetase inhibitors uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitor uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitors CHEBI:230471 EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitor (1,3)-beta-glucan (callose) synthase inhibitor ChEBI (1,3)-beta-glucan (callose) synthase inhibitors ChEBI 1,3-beta-D-glucan synthase inhibitor ChEBI 1,3-beta-D-glucan synthase inhibitors ChEBI 1,3-beta-D-glucan synthetase inhibitor ChEBI 1,3-beta-D-glucan synthetase inhibitors ChEBI 1,3-beta-D-glucan--UDP glucosyltransferase inhibitor ChEBI 1,3-beta-D-glucan--UDP glucosyltransferase inhibitors ChEBI 1,3-beta-D-glucan-UDP glucosyltransferase inhibitor ChEBI 1,3-beta-D-glucan-UDP glucosyltransferase inhibitors ChEBI 1,3-beta-glucan synthase inhibitor ChEBI 1,3-beta-glucan synthase inhibitors ChEBI 1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitor ChEBI 1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitors ChEBI EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitors ChEBI EC 2.4.1.34 inhibitor ChEBI EC 2.4.1.34 inhibitors ChEBI GS-II inhibitor ChEBI GS-II inhibitors ChEBI UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitor ChEBI UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitors ChEBI UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitor ChEBI UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitors ChEBI UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitor ChEBI UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitors ChEBI UDP-glucose-beta-glucan glucosyltransferase inhibitor ChEBI UDP-glucose-beta-glucan glucosyltransferase inhibitors ChEBI UDP-glucose:(1,3)beta-glucan synthase inhibitor ChEBI UDP-glucose:(1,3)beta-glucan synthase inhibitors ChEBI UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitor ChEBI UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitors ChEBI beta-1,3-glucan synthase inhibitor ChEBI beta-1,3-glucan synthase inhibitors ChEBI beta-1,3-glucan synthetase inhibitor ChEBI beta-1,3-glucan synthetase inhibitors ChEBI callose synthase inhibitor ChEBI callose synthase inhibitors ChEBI callose synthetase inhibitor ChEBI callose synthetase inhibitors ChEBI paramylon synthetase inhibitor ChEBI paramylon synthetase inhibitors ChEBI uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitor ChEBI uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitors ChEBI A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy. 0 C7H5NO3SR2 183.18500 182.99901 [H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O CHEBI:3538 KEGG:C00875 PMID:10069359 PMID:11936371 PMID:12833570 PMID:24269048 PMID:3320614 PMID:6762896 PMID:8426246 Wikipedia:Cephalosporin Cephalosporin chebi_ontology cephalosphorin cephalosphorins cephalosporins CHEBI:23066 cephalosporin PMID:10069359 Europe PMC PMID:11936371 Europe PMC PMID:12833570 Europe PMC PMID:24269048 Europe PMC PMID:3320614 Europe PMC PMID:6762896 Europe PMC PMID:8426246 Europe PMC Cephalosporin KEGG_COMPOUND cephalosphorin ChEBI cephalosphorins ChEBI cephalosporins ChEBI chebi_ontology CHEBI:23089 chelate-forming peptide chebi_ontology chloride salts chlorides CHEBI:23114 chloride salt chloride salts ChEBI chlorides ChEBI 0 Cl InChI=1S/Cl ZAMOUSCENKQFHK-UHFFFAOYSA-N 35.45270 34.96885 [Cl] WebElements:Cl chlorine chebi_ontology 17Cl Chlor Cl chlore chlorine chlorum cloro CHEBI:23116 chlorine atom chlorine IUPAC 17Cl IUPAC Chlor ChEBI Cl IUPAC chlore ChEBI chlorine ChEBI chlorum ChEBI cloro ChEBI A halogen molecular entity containing one or more atoms of chlorine. chebi_ontology CHEBI:23117 chlorine molecular entity Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines. chebi_ontology CHEBI:23132 chlorobenzenes A tertiary ammonium ion resulting from the protonation of the two amino groups of azithromycin; major species at pH 7.3. +2 C38H74N2O12 InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-P 751.011 750.52308 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C[NH+](C)[C@H](C)[C@@H](O)[C@]1(C)O (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside chebi_ontology azithromycin dication CHEBI:231550 azithromycin(2+) (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside IUPAC azithromycin dication ChEBI An oxo monocarboxylic acid anion that is the conjugate base of levofloxacin resulting from the deprotonation of the carboxy group; major species at pH 7.3. -1 C18H19FN3O4 InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p-1/t10-/m0/s1 GSDSWSVVBLHKDQ-JTQLQIEISA-M 360.366 360.13651 C[C@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C([O-])=O)C3=O (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate chebi_ontology levofloxacin anion CHEBI:231553 levofloxacin(1-) (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate IUPAC levofloxacin anion ChEBI CHEBI:3666 chebi_ontology choline esters CHEBI:23213 choline ester choline esters ChEBI A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof. chebi_ontology CHEBI:23217 cholines chebi_ontology CHEBI:23232 chromenes chebi_ontology CHEBI:23239 chromopeptide An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Wikipedia:Cofactor_(biochemistry) cofactor cofactors chebi_ontology CHEBI:23357 cofactor cofactor IUPAC cofactors IUPAC chebi_ontology CHEBI:23366 compatible osmolytes Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. molecular entity chebi_ontology entidad molecular entidades moleculares entite moleculaire molecular entities molekulare Entitaet CHEBI:23367 molecular entity molecular entity IUPAC entidad molecular IUPAC entidades moleculares IUPAC entite moleculaire IUPAC molecular entities IUPAC molekulare Entitaet ChEBI copper molecular entity chebi_ontology copper compounds copper molecular entities CHEBI:23377 copper molecular entity copper molecular entity ChEBI copper compounds ChEBI copper molecular entities ChEBI Cu 63.546 62.92960 copper cation chebi_ontology Cu cation copper cations CHEBI:23378 copper cation copper cation IUPAC Cu cation UniProt copper cations ChEBI chebi_ontology CHEBI:23403 coumarins A metal sulfate compound having copper(2+) as the metal ion. 0 CuO4S InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 ARUVKPQLZAKDPS-UHFFFAOYSA-L 159.60960 158.88133 [Cu++].[O-]S([O-])(=O)=O CAS:7758-98-7 Gmelin:8294 KEGG:C18713 PMID:10469300 PMID:29079364 PMID:8566016 PPDB:178 Wikipedia:Copper(II)_sulfate Copper(II) sulfate copper(2+) sulfate copper(II) sulfate chebi_ontology CuSO4 Cupric sulfate copper sulfate cupric sulfate anhydrous CHEBI:23414 copper(II) sulfate CAS:7758-98-7 ChemIDplus CAS:7758-98-7 KEGG COMPOUND Gmelin:8294 Gmelin PMID:10469300 Europe PMC PMID:29079364 Europe PMC PMID:8566016 Europe PMC Copper(II) sulfate KEGG_COMPOUND copper(2+) sulfate IUPAC copper(II) sulfate IUPAC CuSO4 IUPAC Cupric sulfate ChemIDplus copper sulfate ChemIDplus cupric sulfate anhydrous ChemIDplus Salts and C-organyl derivatives of hydrogen cyanide, HC#N. cyanides chebi_ontology CHEBI:23424 cyanides cyanides IUPAC CHEBI:3990 cyclic amide chebi_ontology cyclic amides CHEBI:23443 cyclic amide cyclic amide ChEBI cyclic amides ChEBI chebi_ontology cyclic nucleotides CHEBI:23447 cyclic nucleotide cyclic nucleotides ChEBI chebi_ontology Cyclopeptid Zyklopeptid cyclic peptides peptide cyclique peptido ciclico CHEBI:23449 cyclic peptide Cyclopeptid ChEBI Zyklopeptid ChEBI cyclic peptides ChEBI peptide cyclique IUPAC peptido ciclico IUPAC A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom. cyclitols chebi_ontology CHEBI:23451 cyclitol cyclitols IUPAC A member of the class of oxazolidines that is isoxazoldin-3-one which is substituted at position 4 by an amino group. 0 C3H6N2O2 InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6) DYDCUQKUCUHJBH-UHFFFAOYSA-N 102.09190 102.04293 NC1CONC1=O CAS:68-39-3 KEGG:C06682 4-amino-1,2-oxazolidin-3-one chebi_ontology cycloserine CHEBI:23503 4-amino-1,2-oxazolidin-3-one CAS:68-39-3 KEGG COMPOUND 4-amino-1,2-oxazolidin-3-one IUPAC cycloserine ChEBI chebi_ontology deoxyribonucleosides CHEBI:23636 deoxyribonucleoside deoxyribonucleosides ChEBI A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating. depsipeptides chebi_ontology Depsipeptid CHEBI:23643 depsipeptide depsipeptides IUPAC Depsipeptid ChEBI Any polyamine that contains two amino groups. diamines chebi_ontology CHEBI:23666 diamine diamines IUPAC An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring. chebi_ontology diazoles CHEBI:23677 diazole diazoles ChEBI Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions. dichlorobenzene chebi_ontology Dichlorbenzol dichlorobenzenes CHEBI:23697 dichlorobenzene dichlorobenzene ChEBI dichlorobenzene IUPAC Dichlorbenzol ChEBI dichlorobenzenes ChEBI Any organic heteromonocyclic compound with a structure based on a dihydropyrrole. Wikipedia:Pyrroline pyrroline chebi_ontology dihydropyrrole pyrrolines CHEBI:23763 pyrroline pyrroline ChemIDplus dihydropyrrole ChemIDplus pyrrolines ChEBI chebi_ontology quinolones CHEBI:23765 quinolone quinolones ChEBI A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols. Wikipedia:Diol diols chebi_ontology CHEBI:23824 diol diols IUPAC Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0104 diterpenoids chebi_ontology C20 isoprenoids diterpenoides CHEBI:23849 diterpenoid LIPID_MAPS_class:LMPR0104 LIPID MAPS diterpenoids IUPAC C20 isoprenoids LIPID_MAPS diterpenoides ChEBI chebi_ontology dithiols CHEBI:23853 dithiol dithiols ChEBI 0 C12H25 169.32690 169.19563 CCCCCCCCCCCC* dodecyl chebi_ontology CH3-[CH2]11- Dod dodecan-1-yl lauryl CHEBI:23870 dodecyl group dodecyl IUPAC CH3-[CH2]11- IUPAC Dod CBN dodecan-1-yl ChEBI lauryl ChEBI -1 C12H25O4S InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1 MOTZDAYCYVMXPC-UHFFFAOYSA-M 265.39050 265.14790 CCCCCCCCCCCCOS([O-])(=O)=O Beilstein:1820003 DrugBank:DB03967 Gmelin:336103 UM-BBD_compID:c0563 dodecyl sulfate chebi_ontology CHEBI:23872 dodecyl sulfate Beilstein:1820003 Beilstein Gmelin:336103 Gmelin UM-BBD_compID:c0563 UM-BBD dodecyl sulfate IUPAC dodecyl sulfate UniProt Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. chebi_ontology drugs medicine CHEBI:23888 drug drugs ChEBI medicine ChEBI chebi_ontology monoatomic anions CHEBI:23905 monoatomic anion monoatomic anions ChEBI chebi_ontology monoatomic cations CHEBI:23906 monoatomic cation monoatomic cations ChEBI A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. enzyme inhibitor chebi_ontology enzyme inhibitors inhibidor enzimatico inhibidores enzimaticos inhibiteur enzymatique inhibiteurs enzymatiques CHEBI:23924 enzyme inhibitor enzyme inhibitor IUPAC enzyme inhibitors ChEBI inhibidor enzimatico ChEBI inhibidores enzimaticos ChEBI inhibiteur enzymatique ChEBI inhibiteurs enzymatiques ChEBI chebi_ontology CHEBI:23953 erythromycins chebi_ontology CHEBI:23955 erythronolide chebi_ontology ethanolamine CHEBI:23981 ethanolamines ethanolamine ChEBI 0 F InChI=1S/F YCKRFDGAMUMZLT-UHFFFAOYSA-N 18.99840 18.99840 [F] CAS:7782-41-4 WebElements:F fluorine chebi_ontology 9F F Fluor fluor fluorine fluorum CHEBI:24061 fluorine atom CAS:7782-41-4 ChemIDplus fluorine IUPAC 9F IUPAC F IUPAC Fluor ChemIDplus fluor ChEBI fluorine ChEBI fluorum ChEBI fluorine molecular entity chebi_ontology fluorine compounds fluorine molecular entities CHEBI:24062 fluorine molecular entity fluorine molecular entity ChEBI fluorine compounds ChEBI fluorine molecular entities ChEBI An organofluorine compound that consists of an amino acid substituted by a fluoro group. chebi_ontology fluoroamino acids CHEBI:24068 fluoroamino acid fluoroamino acids ChEBI Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H). chebi_ontology CHEBI:24079 formamides A substance used to destroy fungal pests. chebi_ontology fungicides CHEBI:24127 fungicide fungicides ChEBI Compounds containing at least one furan ring. chebi_ontology oxacyclopenta-2,4-dienes CHEBI:24129 furans oxacyclopenta-2,4-dienes ChEBI Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group. chebi_ontology CHEBI:24271 glucosamines chebi_ontology glucosides CHEBI:24278 glucoside glucosides ChEBI An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class. PMID:20716061 chebi_ontology glutamine family amino acids CHEBI:24318 glutamine family amino acid PMID:20716061 Europe PMC glutamine family amino acids ChEBI Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide. CHEBI:24395 CHEBI:5478 glycopeptides chebi_ontology CHEBI:24396 glycopeptide glycopeptides IUPAC A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively. glycosides chebi_ontology O-glycoside O-glycosides glycosides CHEBI:24400 glycoside glycosides IUPAC O-glycoside ChEBI O-glycosides ChEBI glycosides ChEBI A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. chemical entity chebi_ontology CHEBI:24431 chemical entity chemical entity UniProt A role played by the molecular entity or part thereof within a biological context. chebi_ontology biological function CHEBI:24432 biological role biological function ChEBI A defined linked collection of atoms or a single atom within a molecular entity. group chebi_ontology Gruppe Rest groupe grupo grupos CHEBI:24433 group group IUPAC Gruppe ChEBI Rest ChEBI groupe IUPAC grupo IUPAC grupos IUPAC Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas. chebi_ontology CHEBI:24436 guanidines Any non-proteinogenic amino acid carrying at least one halo group. chebi_ontology haloamino acids CHEBI:24470 haloamino acid haloamino acids ChEBI halogen molecular entity chebi_ontology halogen compounds halogen molecular entities CHEBI:24471 halogen molecular entity halogen molecular entity ChEBI halogen compounds ChEBI halogen molecular entities ChEBI halogen halogens chebi_ontology Halogene group 17 elements group VII elements halogene halogenes halogeno halogenos CHEBI:24473 halogen halogen IUPAC halogens IUPAC Halogene ChEBI group 17 elements ChEBI group VII elements ChEBI halogene ChEBI halogenes ChEBI halogeno ChEBI halogenos ChEBI chebi_ontology CHEBI:24531 heterocyclic antibiotic A cyclic compound having as ring members atoms of carbon and at least of one other element. chebi_ontology organic heterocycle organic heterocyclic compounds CHEBI:24532 organic heterocyclic compound organic heterocycle ChEBI organic heterocyclic compounds ChEBI A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond. heterodetic cyclic peptide chebi_ontology heterodetic cyclic peptides peptide cyclique heterodetique peptido ciclico heterodetico CHEBI:24533 heterodetic cyclic peptide heterodetic cyclic peptide IUPAC heterodetic cyclic peptides ChEBI peptide cyclique heterodetique IUPAC peptido ciclico heterodetico IUPAC hexitol chebi_ontology hexitols CHEBI:24583 hexitol hexitol ChEBI hexitols ChEBI Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group. hexosamine chebi_ontology hexosamines CHEBI:24586 hexosamine hexosamine ChEBI hexosamines ChEBI A homodetic cyclic peptide is a cyclic peptide in which the ring consists solely of amino-acid residues in peptide linkages. homodetic cyclic peptide chebi_ontology homodetic cyclic peptides peptide cyclique homodetique peptido ciclico homodetico CHEBI:24613 homodetic cyclic peptide homodetic cyclic peptide IUPAC homodetic cyclic peptides ChEBI peptide cyclique homodetique IUPAC peptido ciclico homodetico IUPAC Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. chebi_ontology endocrine hormones CHEBI:24621 hormone endocrine ChEBI hormones ChEBI An imidazolidinone with oxo groups at position 2 and 4. chebi_ontology CHEBI:24628 imidazolidine-2,4-dione A compound consisting of carbon and hydrogen only. hydrocarbon hydrocarbons chebi_ontology Kohlenwasserstoff Kohlenwasserstoffe hidrocarburo hidrocarburos hydrocarbure CHEBI:24632 hydrocarbon hydrocarbon IUPAC hydrocarbons IUPAC Kohlenwasserstoff ChEBI Kohlenwasserstoffe ChEBI hidrocarburo IUPAC hidrocarburos IUPAC hydrocarbure IUPAC An oxoanion resulting from the removal of a proton from the hydroxy group of any hydroxamic acid. chebi_ontology hydroxamate hydroxamates hydroxamic acid anions hydroxamic anion hydroxamic anions CHEBI:24648 hydroxamic acid anion hydroxamate ChEBI hydroxamates ChEBI hydroxamic acid anions ChEBI hydroxamic anion ChEBI hydroxamic anions ChEBI A compound, RkE(=O)lNHOH, derived from an oxoacid RkE(=O)l(OH) (l =/= 0) by replacing -OH with -NHOH, and derivatives thereof. Specific examples of hydroxamic acids are preferably named as N-hydroxy amides. hydroxamic acids chebi_ontology N-hydroxy amide N-hydroxy amides N-hydroxy-amide N-hydroxy-amides N-hydroxyamide N-hydroxyamides hydroxamic acids CHEBI:24650 hydroxamic acid hydroxamic acids IUPAC N-hydroxy amide ChEBI N-hydroxy amides ChEBI N-hydroxy-amide ChEBI N-hydroxy-amides ChEBI N-hydroxyamide ChEBI N-hydroxyamides ChEBI hydroxamic acids ChEBI Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). chebi_ontology CHEBI:24651 hydroxides Any fatty acid carrying one or more hydroxy substituents. LIPID_MAPS_class:LMFA0105 PMID:18296335 PMID:6419288 PMID:8274032 chebi_ontology hydroxy fatty acids CHEBI:24654 hydroxy fatty acid LIPID_MAPS_class:LMFA0105 LIPID MAPS PMID:18296335 Europe PMC PMID:6419288 Europe PMC PMID:8274032 Europe PMC hydroxy fatty acids LIPID_MAPS Any carboxylic acid with at least one hydroxy group. chebi_ontology hydroxy carboxylic acids hydroxycarboxylic acid hydroxycarboxylic acids CHEBI:24669 hydroxy carboxylic acid hydroxy carboxylic acids ChEBI hydroxycarboxylic acid ChEBI hydroxycarboxylic acids ChEBI Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent. chebi_ontology hydroxybenzoates CHEBI:24675 hydroxybenzoate hydroxybenzoates ChEBI Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring. 0 C7H6O3 138.121 138.03169 CHEBI:50778 hydroxybenzoic acid chebi_ontology hydroxybenzoic acids CHEBI:24676 hydroxybenzoic acid hydroxybenzoic acid IUPAC hydroxybenzoic acids ChEBI An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups. 0 C2H2O2R2 58.036 58.00548 C(C(=O)*)(O)([H])* Wikipedia:Acyloin chebi_ontology acyloin acyloins secondary alpha-hydroxy ketones secondary alpha-hydroxy-ketone secondary alpha-hydroxy-ketones secondary alpha-hydroxyketone secondary alpha-hydroxyketones CHEBI:2468 secondary alpha-hydroxy ketone acyloin ChEBI acyloins ChEBI secondary alpha-hydroxy ketones ChEBI secondary alpha-hydroxy-ketone ChEBI secondary alpha-hydroxy-ketones ChEBI secondary alpha-hydroxyketone ChEBI secondary alpha-hydroxyketones ChEBI 0 CH3O 31.03392 31.01839 C(*)O hydroxymethyl chebi_ontology -CH2-OH serine side-chain CHEBI:24712 hydroxymethyl group hydroxymethyl IUPAC -CH2-OH IUPAC serine side-chain ChEBI chebi_ontology hygromycins CHEBI:24753 hygromycin hygromycins ChEBI A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. chebi_ontology CHEBI:24780 imidazoles imide chebi_ontology imides CHEBI:24782 imide imide ChEBI imides ChEBI chebi_ontology indole phytoalexins CHEBI:24797 indole phytoalexin indole phytoalexins ChEBI Any compound containing an indole skeleton. chebi_ontology CHEBI:24828 indoles A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). oxoacid oxoacids chebi_ontology oxacids oxiacids oxo acid oxy-acids oxyacids CHEBI:24833 oxoacid oxoacid IUPAC oxoacids IUPAC oxacids ChEBI oxiacids ChEBI oxo acid ChEBI oxy-acids ChEBI oxyacids ChEBI chebi_ontology inorganic anions CHEBI:24834 inorganic anion inorganic anions ChEBI A molecular entity that contains no carbon. chebi_ontology anorganische Verbindungen inorganic compounds inorganic entity inorganic molecular entities inorganics CHEBI:24835 inorganic molecular entity anorganische Verbindungen ChEBI inorganic compounds ChEBI inorganic entity ChEBI inorganic molecular entities ChEBI inorganics ChEBI chebi_ontology inorganic oxides CHEBI:24836 inorganic oxide inorganic oxides ChEBI Compounds of structure ROOR' in which R and R' are inorganic groups. inorganic peroxide chebi_ontology inorganic peroxides CHEBI:24837 inorganic peroxide inorganic peroxide ChEBI inorganic peroxides ChEBI chebi_ontology anorganisches Salz inorganic salts CHEBI:24839 inorganic salt anorganisches Salz ChEBI inorganic salts ChEBI chebi_ontology inorganic sulfate salts inorganic sulfates CHEBI:24840 inorganic sulfate salt inorganic sulfate salts ChEBI inorganic sulfates ChEBI Any cyclohexane-1,2,3,4,5,6-hexol. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N 180.15588 180.06339 OC1C(O)C(O)C(O)C(O)C1O inositol inositols chebi_ontology 1,2,3,4,5,6-cyclohexanehexol inositols CHEBI:24848 inositol inositol IUBMB inositols IUPAC 1,2,3,4,5,6-cyclohexanehexol ChEBI inositols ChEBI Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Wikipedia:Insecticide chebi_ontology insecticides CHEBI:24852 insecticide insecticides ChEBI Chemical element with atomic number 53. 0 I InChI=1S/I ZCYVEMRRCGMTRW-UHFFFAOYSA-N 126.90447 126.90447 [I] WebElements:I iodine chebi_ontology 53I I Iod J Jod iode iodine iodium yodo CHEBI:24859 iodine atom iodine IUPAC 53I IUPAC I ChEBI Iod ChEBI J ChEBI Jod ChEBI iode ChEBI iodine ChEBI iodium ChEBI yodo ChEBI iodine molecular entity chebi_ontology iodine compounds iodine molecular entities CHEBI:24860 iodine molecular entity iodine molecular entity ChEBI iodine compounds ChEBI iodine molecular entities ChEBI A salt is an assembly of cations and anions. salt chebi_ontology Salz Salze ionic compound ionic compounds sal sales salts sel sels CHEBI:24866 salt salt IUPAC Salz ChEBI Salze ChEBI ionic compound ChEBI ionic compounds ChEBI sal ChEBI sales ChEBI salts ChEBI sel ChEBI sels ChEBI chebi_ontology monoatomic ions CHEBI:24867 monoatomic ion monoatomic ions ChEBI chebi_ontology organic salts organisches Salz CHEBI:24868 organic salt organic salts ChEBI organisches Salz ChEBI A compound which can carry specific ions through membranes of cells or organelles. Wikipedia:Ionophore ionophore chebi_ontology ionophores CHEBI:24869 ionophore ionophore IUPAC ionophores ChEBI A molecular entity having a net electric charge. Ion ion chebi_ontology Ionen iones ions CHEBI:24870 ion Ion ChEBI ion ChEBI ion IUPAC Ionen ChEBI iones ChEBI ions ChEBI chebi_ontology CHEBI:24897 isoindoles Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives. LIPID_MAPS_class:LMPR01 PMID:12769708 PMID:19219049 isoprenoid isoprenoids chebi_ontology isoprenoids CHEBI:24913 isoprenoid LIPID_MAPS_class:LMPR01 LIPID MAPS PMID:12769708 Europe PMC PMID:19219049 Europe PMC isoprenoid ChEBI isoprenoids IUPAC isoprenoids ChEBI chebi_ontology CHEBI:24951 kanamycins Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactam lactams chebi_ontology Laktam Laktame lactams CHEBI:24995 lactam lactam IUPAC lactams IUPAC Laktam ChEBI Laktame ChEBI lactams ChEBI Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactone lactones chebi_ontology Lacton Lakton Laktone lactona lactonas CHEBI:25000 lactone lactone IUPAC lactones IUPAC Lacton ChEBI Lakton ChEBI Laktone ChEBI lactona IUPAC lactonas IUPAC chebi_ontology CHEBI:25022 leucomycin chebi_ontology CHEBI:25061 lipopeptide antibiotic A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity. chebi_ontology Makrolidantibiotika macrolide antibiotics CHEBI:25105 macrolide antibiotic Makrolidantibiotika ChEBI macrolide antibiotics ChEBI A macrocyclic lactone with a ring of twelve or more members derived from a polyketide. Wikipedia:Macrolide macrolide macrolides chebi_ontology Makrolid macrolides CHEBI:25106 macrolide macrolide ChEBI macrolides IUPAC Makrolid ChEBI macrolides ChEBI manganese molecular entity chebi_ontology manganese compounds manganese molecular entities CHEBI:25154 manganese molecular entity manganese molecular entity ChEBI manganese compounds ChEBI manganese molecular entities ChEBI A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group. 0 C4H10O2S2 InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2 VHJLVAABSRFDPM-UHFFFAOYSA-N 154.25300 154.01222 OC(CS)C(O)CS Beilstein:8141671 CAS:7634-42-6 1,4-dimercaptobutane-2,3-diol 1,4-disulfanylbutane-2,3-diol chebi_ontology 1,4-dimercapto-2,3-butanediol CHEBI:25189 1,4-dimercaptobutane-2,3-diol Beilstein:8141671 Beilstein CAS:7634-42-6 ChemIDplus 1,4-dimercaptobutane-2,3-diol ChemIDplus 1,4-disulfanylbutane-2,3-diol IUPAC 1,4-dimercapto-2,3-butanediol ChemIDplus Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. CHEBI:26619 CHEBI:35220 metabolite chebi_ontology metabolites primary metabolites secondary metabolites CHEBI:25212 metabolite metabolite IUPAC metabolites ChEBI primary metabolites ChEBI secondary metabolites ChEBI chebi_ontology a metal cation metal cations CHEBI:25213 metal cation a metal cation UniProt metal cations ChEBI Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol. 0 C2H3O2R 59.044 59.01330 COC([*])=O chebi_ontology carboxylic acid methyl ester carboxylic acid methyl esters CHEBI:25248 methyl ester carboxylic acid methyl ester ChEBI carboxylic acid methyl esters ChEBI chebi_ontology mitochondrial electron transport chain inhibitors mitochondrial electron-transport chain inhibitor mitochondrial respiratory chain inhibitors CHEBI:25355 mitochondrial respiratory-chain inhibitor mitochondrial electron transport chain inhibitors ChEBI mitochondrial electron-transport chain inhibitor ChEBI mitochondrial respiratory chain inhibitors ChEBI Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. molecule chebi_ontology Molekuel molecula molecules neutral molecular compounds CHEBI:25367 molecule molecule IUPAC Molekuel ChEBI molecula IUPAC molecules IUPAC neutral molecular compounds IUPAC An oxoacid containing a single carboxy group. chebi_ontology monocarboxylic acids CHEBI:25384 monocarboxylic acid monocarboxylic acids ChEBI A hydroxybenzoate carrying a single hydroxy substituent at unspecified position. chebi_ontology monohydroxybenzoates CHEBI:25388 monohydroxybenzoate monohydroxybenzoates ChEBI Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring. chebi_ontology monohydroxybenzoic acids CHEBI:25389 monohydroxybenzoic acid monohydroxybenzoic acids ChEBI +1 0.00000 [*+] chebi_ontology monoatomic monocations monovalent inorganic cations CHEBI:25414 monoatomic monocation monoatomic monocations ChEBI monovalent inorganic cations ChEBI An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. Wikipedia:Mutagen chebi_ontology mutagene mutagenes mutagenic agent mutageno mutagenos mutagens CHEBI:25435 mutagen mutagene ChEBI mutagenes ChEBI mutagenic agent ChEBI mutageno ChEBI mutagenos ChEBI mutagens ChEBI Poisonous substance produced by fungi. chebi_ontology fungal toxins mycotoxins CHEBI:25442 mycotoxin fungal toxins ChEBI mycotoxins ChEBI chebi_ontology CHEBI:25471 naphthalenemonosulfonate Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings. chebi_ontology CHEBI:25477 naphthalenes chebi_ontology CHEBI:25478 naphthalenesulfonate A polycyclic aromatic ketone metabolite of naphthalene. chebi_ontology naphthoquinones CHEBI:25481 naphthoquinone naphthoquinones ChEBI A substance used to destroy pests of the phylum Nematoda (roundworms). Wikipedia:Nematicide chebi_ontology nematicides nematocide nematocides CHEBI:25491 nematicide nematicides ChEBI nematocide ChEBI nematocides ChEBI An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. Wikipedia:Neurotransmitter chebi_ontology neurotransmitters CHEBI:25512 neurotransmitter neurotransmitters ChEBI A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group. chebi_ontology pyridinecarboxamides CHEBI:25529 pyridinecarboxamide pyridinecarboxamides ChEBI 0 N 14.007 14.00307 WebElements:N nitrogen chebi_ontology 7N N Stickstoff azote nitrogen nitrogeno CHEBI:25555 nitrogen atom nitrogen IUPAC 7N IUPAC N IUPAC Stickstoff ChEBI azote IUPAC nitrogen ChEBI nitrogeno ChEBI chebi_ontology organonitrogen heterocyclic antibiotics CHEBI:25558 organonitrogen heterocyclic antibiotic organonitrogen heterocyclic antibiotics ChEBI nonmetal chebi_ontology Nichtmetall Nichtmetalle no metal no metales non-metal non-metaux nonmetal nonmetals CHEBI:25585 nonmetal atom nonmetal IUPAC Nichtmetall ChEBI Nichtmetalle ChEBI no metal ChEBI no metales ChEBI non-metal ChEBI non-metaux ChEBI nonmetal ChEBI nonmetals ChEBI chebi_ontology CHEBI:25605 nucleoside antibiotic A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates. KEGG:C01329 chebi_ontology NMP nucleoside phosphates CHEBI:25608 nucleoside phosphate NMP KEGG_COMPOUND nucleoside phosphates ChEBI Any of the 26-membered ring macrolides produced by Streptomyces species that can be toxic to other organisms through their ability to inhibit mitochondrial membrane-bound ATP synthases. 0 C43H64O10R5 740.964 740.44995 [C@@H]1([C@H](CC([C@]2(O1)C([C@@H]3OC(C=C[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C([C@@]([C@@H](O)[C@H](C)CC=CC=C[C@@H](CC[C@@H]([C@H]3C)O2)CC)(*)C)=O)=O)(*)*)=*)C)C[C@H](O)* Wikipedia:Oligomycin chebi_ontology oligomycins CHEBI:25675 oligomycin oligomycins ChEBI A peptide containing a relatively small number of amino acids. CHEBI:7755 Wikipedia:Oligopeptide oligopeptides chebi_ontology Oligopeptid oligopeptido CHEBI:25676 oligopeptide oligopeptides IUPAC Oligopeptid ChEBI oligopeptido ChEBI chebi_ontology organic heteromonocyclic compounds CHEBI:25693 organic heteromonocyclic compound organic heteromonocyclic compounds ChEBI Any organic ion with a net negative charge. chebi_ontology organic anions CHEBI:25696 organic anion organic anions ChEBI Any organic ion with a net positive charge. chebi_ontology organic cations CHEBI:25697 organic cation organic cations ChEBI An organooxygen compound with formula ROR, where R is not hydrogen. 0 OR2 15.99940 15.99491 [*]O[*] ether ethers chebi_ontology ethers CHEBI:25698 ether ether IUPAC ethers IUPAC ethers ChEBI chebi_ontology organic ions CHEBI:25699 organic ion organic ions ChEBI Wikipedia:Organophosphate organic phosphate chebi_ontology organic phosphate ester organic phosphate esters organic phosphates organophosphate ester organophosphate esters CHEBI:25703 organic phosphate organic phosphate ChEBI organic phosphate ester ChEBI organic phosphate esters ChEBI organic phosphates ChEBI organophosphate ester ChEBI organophosphate esters ChEBI Compounds of the general formula SO3HOR where R is an organyl group chebi_ontology organic sulfates CHEBI:25704 organic sulfate organic sulfates ChEBI An alcohol derived from an aliphatic compound. 0 HOR 17.007 17.00274 O* KEGG:C02525 Aliphatic alcohol chebi_ontology aliphatic alcohols an aliphatic alcohol CHEBI:2571 aliphatic alcohol Aliphatic alcohol KEGG_COMPOUND aliphatic alcohols ChEBI an aliphatic alcohol UniProt An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters. Wikipedia:Organophosphorus_compound organophosphorus compound chebi_ontology organophosphorus compounds CHEBI:25710 organophosphorus compound organophosphorus compound ChEBI organophosphorus compounds ChEBI A solute used by a cell under water stress to maintain cell volume. chebi_ontology osmolytes CHEBI:25728 osmolyte osmolytes ChEBI An oxide is a chemical compound of oxygen with other chemical elements. oxide chebi_ontology oxides CHEBI:25741 oxide oxide ChEBI oxides ChEBI Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes. 0 CHNOR2 43.02470 43.00581 O\N=C(\[*])[*] oxime oximes chebi_ontology oximes CHEBI:25750 oxime oxime IUPAC oximes IUPAC oximes ChEBI Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule. oxo carboxylic acids chebi_ontology oxo acids oxo carboxylic acids CHEBI:25754 oxo carboxylic acid oxo carboxylic acids IUPAC oxo acids IUPAC oxo carboxylic acids ChEBI Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety. chebi_ontology CHEBI:2580 unsaturated fatty acid anion 0 O InChI=1S/O QVGXLLKOCUKJST-UHFFFAOYSA-N 15.99940 15.99491 [O] KEGG:C00007 WebElements:O oxygen chebi_ontology 8O O Sauerstoff oxigeno oxygen oxygene CHEBI:25805 oxygen atom oxygen IUPAC 8O IUPAC O IUPAC Sauerstoff ChEBI oxigeno ChEBI oxygen ChEBI oxygene ChEBI oxygen molecular entity chebi_ontology oxygen molecular entities CHEBI:25806 oxygen molecular entity oxygen molecular entity ChEBI oxygen molecular entities ChEBI chebi_ontology CHEBI:25807 organooxygen heterocyclic antibiotic A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring. chebi_ontology p-quinone para-quinones CHEBI:25830 p-quinones p-quinone ChEBI para-quinones ChEBI chebi_ontology CHEBI:25865 penicillanic acids aldopentose phosphate chebi_ontology aldopentose phosphates CHEBI:25900 aldopentose phosphate aldopentose phosphate ChEBI aldopentose phosphates ChEBI A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose). pentose chebi_ontology pentoses CHEBI:25901 pentose pentose ChEBI pentoses ChEBI A chemically diverse class of peptides that exhibit antimicrobial properties. MetaCyc:Peptide-Antibiotics PMID:33398258 chebi_ontology peptide antibiotics CHEBI:25903 peptide antibiotic PMID:33398258 Europe PMC peptide antibiotics ChEBI Compounds of structure ROOR'. 0 O2R2 31.999 31.98983 [*]OO[*] chebi_ontology a peroxide CHEBI:25940 peroxides a peroxide UniProt Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Wikipedia:Pesticide pesticide chebi_ontology Pestizid Pestizide pesticides CHEBI:25944 pesticide pesticide IUPAC Pestizid ChEBI Pestizide ChEBI pesticides ChEBI Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin. Wikipedia:Phenylpropanoid chebi_ontology phenylpropanoids CHEBI:26004 phenylpropanoid phenylpropanoids ChEBI Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom. phosphates chebi_ontology phosphates CHEBI:26020 phosphate phosphates IUPAC phosphates ChEBI chebi_ontology CHEBI:26045 phosphite ion HP(=O)(OH)2 (phosphonic acid) and its P-substituted derivatives. phosphonic acids chebi_ontology CHEBI:26069 phosphonic acids phosphonic acids IUPAC A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. 0 H3O4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) NBIIXXVUZAFLBC-UHFFFAOYSA-N 97.99520 97.97690 [H]OP(=O)(O[H])O[H] Beilstein:1921286 CAS:7664-38-2 Drug_Central:4478 Gmelin:2000 HMDB:HMDB0002142 KEGG:C00009 KEGG:D05467 KNApSAcK:C00007408 PMID:11455380 PMID:15630224 PMID:17439666 PMID:17518491 PMID:22282755 PMID:22333268 PMID:22381614 PMID:22401268 Reaxys:1921286 Wikipedia:Phosphoric_Acid Phosphoric acid phosphoric acid tetraoxophosphoric acid trihydrogen tetraoxophosphate(3-) trihydroxidooxidophosphorus chebi_ontology H3PO4 Orthophosphoric acid Phosphate Phosphorsaeure Phosphorsaeureloesungen [PO(OH)3] acide phosphorique acidum phosphoricum orthophosphoric acid CHEBI:26078 phosphoric acid Beilstein:1921286 Beilstein CAS:7664-38-2 ChemIDplus CAS:7664-38-2 KEGG COMPOUND CAS:7664-38-2 NIST Chemistry WebBook Drug_Central:4478 DrugCentral Gmelin:2000 Gmelin PMID:11455380 Europe PMC PMID:15630224 Europe PMC PMID:17439666 Europe PMC PMID:17518491 Europe PMC PMID:22282755 Europe PMC PMID:22333268 Europe PMC PMID:22381614 Europe PMC PMID:22401268 Europe PMC Reaxys:1921286 Reaxys Phosphoric acid KEGG_COMPOUND phosphoric acid IUPAC tetraoxophosphoric acid IUPAC trihydrogen tetraoxophosphate(3-) IUPAC trihydroxidooxidophosphorus IUPAC H3PO4 IUPAC Orthophosphoric acid KEGG_COMPOUND Phosphate KEGG_COMPOUND Phosphorsaeure ChEBI Phosphorsaeureloesungen ChEBI [PO(OH)3] IUPAC acide phosphorique ChEBI acidum phosphoricum ChEBI orthophosphoric acid NIST_Chemistry_WebBook chebi_ontology CHEBI:26079 phosphoric acid derivative chebi_ontology phosphorus molecular entities CHEBI:26082 phosphorus molecular entity phosphorus molecular entities ChEBI A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups (A closed class). 0 C8H6O4 166.131 166.02661 benzenedicarboxylic acid chebi_ontology CHEBI:26094 benzenedicarboxylic acid benzenedicarboxylic acid IUPAC A toxin made by a plant that acts against an organism attacking it. chebi_ontology phytoalexins CHEBI:26115 phytoalexin phytoalexins ChEBI An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. chebi_ontology pigments CHEBI:26130 biological pigment pigments ChEBI chebi_ontology CHEBI:26144 piperazines chebi_ontology CHEBI:26151 piperidines A chemical, natural or artificial, that can affect the rate of growth of a plant. chebi_ontology plant growth regulators CHEBI:26155 plant growth regulator plant growth regulators ChEBI Any amino acid whose side chain is capable of forming one or more hydrogen bonds. 0 C2H4NO2R 74.059 74.02420 OC(C(*)N)=O CHEBI:8283 MetaCyc:Polar-amino-acids PMID:12016058 polar amino acid chebi_ontology polar amino acids polar amino-acid polar amino-acids CHEBI:26167 polar amino acid PMID:12016058 Europe PMC polar amino acid ChEBI polar amino acids ChEBI polar amino-acid ChEBI polar amino-acids ChEBI A family of antibiotics containing a conjugated polyene moiety, usuallly isolated from some species of Streptomyces. chebi_ontology polyene antibiotics CHEBI:26177 polyene antibiotic polyene antibiotics ChEBI Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides. polyketide chebi_ontology polyketides CHEBI:26188 polyketide polyketide ChEBI polyketides ChEBI A compound that contains two or more hydroxy groups. chebi_ontology polyols CHEBI:26191 polyol polyols ChEBI Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group. Wikipedia:Polyphenol chebi_ontology polyphenols CHEBI:26195 polyphenol polyphenols ChEBI Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units. 0 (C5H8)nC10H18O CHEBI:8317 KEGG:C06081 chebi_ontology polyprenols CHEBI:26199 polyprenol polyprenols ChEBI Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome. PMID:14977874 PMID:16380690 PMID:17891522 chebi_ontology PUFA PUFAs polyunsaturated fatty acids CHEBI:26208 polyunsaturated fatty acid PMID:14977874 Europe PMC PMID:16380690 Europe PMC PMID:17891522 Europe PMC PUFA ChEBI PUFAs ChEBI polyunsaturated fatty acids ChEBI 0 K InChI=1S/K ZLMJMSJWJFRBEC-UHFFFAOYSA-N 39.09830 38.96371 [K] CAS:7440-09-7 DrugBank:DB01345 KEGG:C00238 WebElements:K potassium chebi_ontology 19K K Kalium kalium potasio potassium CHEBI:26216 potassium atom CAS:7440-09-7 ChemIDplus potassium IUPAC 19K IUPAC K IUPAC Kalium ChemIDplus kalium IUPAC potasio ChEBI potassium ChEBI potassium molecular entity chebi_ontology potassium molecular entities CHEBI:26217 potassium molecular entity potassium molecular entity ChEBI potassium molecular entities ChEBI Any alkali metal salt having potassium(1+) as the cation. chebi_ontology Kaliumsalz Kaliumsalze potassium salts CHEBI:26218 potassium salt Kaliumsalz ChEBI Kaliumsalze ChEBI potassium salts ChEBI Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids). PMID:3113948 PMID:4207873 prenols chebi_ontology CHEBI:26244 prenols PMID:3113948 Europe PMC PMID:4207873 Europe PMC prenols IUPAC An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N 115.13050 115.06333 OC(=O)C1CCCN1 Beilstein:80809 CAS:609-36-9 Gmelin:26927 KEGG:C16435 PMID:16534801 PMID:21400017 PMID:21903295 PMID:22264337 PMID:22280966 PMID:22770225 Reaxys:80809 Wikipedia:Proline proline chebi_ontology DL-Proline Hpro Prolin prolina pyrrolidine-2-carboxylic acid CHEBI:26271 proline Beilstein:80809 Beilstein CAS:609-36-9 ChemIDplus CAS:609-36-9 KEGG COMPOUND CAS:609-36-9 NIST Chemistry WebBook Gmelin:26927 Gmelin PMID:16534801 Europe PMC PMID:21400017 Europe PMC PMID:21903295 Europe PMC PMID:22264337 Europe PMC PMID:22280966 Europe PMC PMID:22770225 Europe PMC Reaxys:80809 Reaxys proline ChEBI proline IUPAC DL-Proline KEGG_COMPOUND Hpro IUPAC Prolin ChEBI prolina ChEBI pyrrolidine-2-carboxylic acid IUPAC An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues. chebi_ontology proline derivatives CHEBI:26273 proline derivative proline derivatives ChEBI Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine. amidine amidines chebi_ontology Amidines amidines CHEBI:2634 amidine amidine IUPAC amidines IUPAC Amidines KEGG_COMPOUND amidines ChEBI An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group. 0 C22H43N5O13 InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1 LKCWBDHBTVXHDL-RMDFUYIESA-N 585.60272 585.28574 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O Beilstein:5915117 CAS:37517-28-5 DrugBank:DB00479 Drug_Central:157 HMDB:HMDB0014622 KEGG:C06820 KEGG:D02543 LINCS:LSM-5935 MetaCyc:CPD-14197 PMID:11744283 PMID:15305513 PMID:17365906 PMID:19495517 PMID:19752274 PMID:20195673 PMID:25296102 PMID:25327505 PMID:25339395 PMID:25630642 PMID:8622103 PMID:8622117 PMID:9327246 Patent:DE2234315 Patent:US3781268 Reaxys:5915117 Wikipedia:Amikacin (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide Amikacin chebi_ontology 1-N-(L(-)-gamma-amino-alpha-hydroxybutyryl)kanamycin A O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine amikacin amikacina amikacine amikacinum CHEBI:2637 amikacin Beilstein:5915117 Beilstein CAS:37517-28-5 ChemIDplus CAS:37517-28-5 KEGG COMPOUND Drug_Central:157 DrugCentral PMID:11744283 Europe PMC PMID:15305513 Europe PMC PMID:17365906 Europe PMC PMID:19495517 Europe PMC PMID:19752274 Europe PMC PMID:20195673 Europe PMC PMID:25296102 Europe PMC PMID:25327505 Europe PMC PMID:25339395 Europe PMC PMID:25630642 Europe PMC PMID:8622103 Europe PMC PMID:8622117 Europe PMC PMID:9327246 Europe PMC Reaxys:5915117 Reaxys (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide IUPAC Amikacin KEGG_COMPOUND 1-N-(L(-)-gamma-amino-alpha-hydroxybutyryl)kanamycin A ChemIDplus O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine ChemIDplus amikacin ChemIDplus amikacina ChemIDplus amikacine ChemIDplus amikacinum ChemIDplus Any nucleotide that has a purine nucleobase. chebi_ontology purine nucleotides CHEBI:26395 purine nucleotide purine nucleotides ChEBI Any ribonucleotide that has a purine nucleobase. chebi_ontology purine ribonucleotides CHEBI:26400 purine ribonucleotide purine ribonucleotides ChEBI A class of imidazopyrimidines that consists of purine and its substituted derivatives. 0 C5N4R7 116.080 116.01230 CHEBI:13678 chebi_ontology CHEBI:26401 purines chebi_ontology pyridine alkaloids CHEBI:26416 pyridine alkaloid pyridine alkaloids ChEBI A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring. chebi_ontology pyridinemonocarboxylic acids CHEBI:26420 pyridinemonocarboxylic acid pyridinemonocarboxylic acids ChEBI Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. chebi_ontology CHEBI:26421 pyridines A nucleobase whose skeleton is derived from pyrimidine. 0 C4HN2R4 77.064 77.01397 N1C(=C(C(=NC1=*)*)*)* pyrimidine nucleobase chebi_ontology a pyrimidine nucleobase pyrimidine bases pyrimidine nucleobases CHEBI:26432 pyrimidine nucleobase pyrimidine nucleobase ChEBI a pyrimidine nucleobase UniProt pyrimidine bases ChEBI pyrimidine nucleobases ChEBI KEGG:C03169 chebi_ontology N-D-Ribosylpyrimidine pyrimidine nucleosides CHEBI:26440 pyrimidine nucleoside N-D-Ribosylpyrimidine KEGG_COMPOUND pyrimidine nucleosides ChEBI An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton. chebi_ontology CHEBI:26455 pyrroles A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen. chebi_ontology CHEBI:26469 quaternary nitrogen compound chebi_ontology quinoline alkaloids CHEBI:26509 quinoline alkaloid quinoline alkaloids ChEBI Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent. chebi_ontology quinolinemonocarboxylic acids CHEBI:26512 quinolinemonocarboxylic acid quinolinemonocarboxylic acids ChEBI A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. chebi_ontology CHEBI:26513 quinolines Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers. Wikipedia:Reactive_oxygen_species chebi_ontology ROS CHEBI:26523 reactive oxygen species ROS ChEBI chebi_ontology ribonucleotides CHEBI:26561 ribonucleotide ribonucleotides ChEBI ribose phosphate chebi_ontology ribose phosphates CHEBI:26562 ribose phosphate ribose phosphate ChEBI ribose phosphates ChEBI Wikipedia:Rifamycin chebi_ontology rifamycin CHEBI:26580 rifamycins rifamycin ChEBI Any compound with a 1,3,5-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 3 and 5 of the core benzene ring structure. chebi_ontology s-triazines CHEBI:26588 1,3,5-triazines s-triazines ChEBI Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess. PMID:16492686 PMID:19763019 PMID:20237329 saturated fatty acid chebi_ontology SFA SFAs saturated fatty acids CHEBI:26607 saturated fatty acid PMID:16492686 Europe PMC PMID:19763019 Europe PMC PMID:20237329 Europe PMC saturated fatty acid ChEBI SFA ChEBI SFAs ChEBI saturated fatty acids ChEBI An amino acid derivative resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of serine by a heteroatom. The definition normally excludes peptides containing serine residues. chebi_ontology serine derivatives CHEBI:26649 serine derivative serine derivatives ChEBI Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0103 chebi_ontology sesquiterpenoides sesquiterpenoids CHEBI:26658 sesquiterpenoid LIPID_MAPS_class:LMPR0103 LIPID MAPS sesquiterpenoides ChEBI sesquiterpenoids ChEBI An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid. 0 CH2OR 45.017 44.99765 OC([*])=O PMID:16633129 PMID:16870803 PMID:18203540 PMID:20148677 chebi_ontology SCFA SCFAs short-chain fatty acids CHEBI:26666 short-chain fatty acid PMID:16633129 Europe PMC PMID:16870803 Europe PMC PMID:18203540 Europe PMC PMID:20148677 Europe PMC SCFA ChEBI SCFAs ChEBI short-chain fatty acids ChEBI 0 Na InChI=1S/Na KEAYESYHFKHZAL-UHFFFAOYSA-N 22.98977 22.98977 [Na] CAS:7440-23-5 Gmelin:16221 KEGG:C01330 WebElements:Na sodium chebi_ontology 11Na Na Natrium natrium sodio sodium CHEBI:26708 sodium atom CAS:7440-23-5 ChemIDplus Gmelin:16221 Gmelin sodium IUPAC 11Na IUPAC Na IUPAC Natrium ChemIDplus natrium IUPAC sodio ChemIDplus sodium ChEBI An inorganic chloride salt having sodium(1+) as the counterion. 0 ClNa InChI=1S/ClH.Na/h1H;/q;+1/p-1 FAPWRFPIFSIZLT-UHFFFAOYSA-M 58.44247 57.95862 [Na+].[Cl-] Beilstein:3534976 CAS:7647-14-5 Gmelin:13673 KEGG:C13563 KEGG:D02056 MetaCyc:NACL PPDB:595 Reaxys:3534976 Wikipedia:Sodium_Chloride sodium chloride chebi_ontology Kochsalz NaCl Natriumchlorid chlorure de sodium cloruro sodico common salt halite natrii chloridum rock salt salt table salt CHEBI:26710 sodium chloride Beilstein:3534976 Beilstein CAS:7647-14-5 ChemIDplus CAS:7647-14-5 KEGG COMPOUND CAS:7647-14-5 NIST Chemistry WebBook Gmelin:13673 Gmelin Reaxys:3534976 Reaxys sodium chloride ChEBI sodium chloride IUPAC Kochsalz ChEBI NaCl IUPAC Natriumchlorid NIST_Chemistry_WebBook chlorure de sodium ChEBI cloruro sodico ChEBI common salt ChemIDplus halite NIST_Chemistry_WebBook natrii chloridum ChEBI rock salt ChemIDplus salt ChemIDplus table salt ChemIDplus chebi_ontology sodium compounds sodium molecular entities CHEBI:26712 sodium molecular entity sodium compounds ChEBI sodium molecular entities ChEBI Any alkali metal salt having sodium(1+) as the cation. chebi_ontology Natriumsalz Natriumsalze sodium salts CHEBI:26714 sodium salt Natriumsalz ChEBI Natriumsalze ChEBI sodium salts ChEBI Sphingolipids are a complex family of compounds that share a common structural feature, a sphingoid base backbone. chebi_ontology sphingolipids CHEBI:26739 sphingolipid sphingolipids ChEBI A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. 0 C16H19N3O5S InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 LSQZJLSUYDQPKJ-NJBDSQKTSA-N 365.40400 365.10454 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O CHEBI:133770 Beilstein:4274654 CAS:26787-78-0 DrugBank:DB01060 Drug_Central:192 HMDB:HMDB0015193 KEGG:C06827 KEGG:D07452 LINCS:LSM-5654 PMID:10930630 PMID:11431418 PMID:11906332 PMID:12569987 PMID:12833570 PMID:12850488 PMID:16033609 PMID:2083978 PMID:24595455 PMID:24631718 PMID:24759068 PMID:25998949 PMID:27731424 PMID:28987997 PMID:29017833 Patent:DE1942693 Patent:GB1241844 Patent:GB978178 Patent:US3192198 Reaxys:4274654 VSDB:1741 Wikipedia:Amoxicillin 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid Amoxicillin chebi_ontology (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid AMPC AX Amolin Amopenixin Amoxicillin anhydrous Clamoxyl Moxal alpha-amino-p-hydroxybenzylpenicillin amoxicilina amoxicillin amoxicilline amoxicillinum amoxycilin amoxycillin p-hydroxyampicillin CHEBI:2676 amoxicillin Beilstein:4274654 Beilstein CAS:26787-78-0 ChemIDplus CAS:26787-78-0 KEGG COMPOUND Drug_Central:192 DrugCentral PMID:10930630 Europe PMC PMID:11431418 Europe PMC PMID:11906332 Europe PMC PMID:12569987 Europe PMC PMID:12833570 Europe PMC PMID:12850488 Europe PMC PMID:16033609 Europe PMC PMID:2083978 Europe PMC PMID:24595455 Europe PMC PMID:24631718 Europe PMC PMID:24759068 Europe PMC PMID:25998949 Europe PMC PMID:27731424 Europe PMC PMID:28987997 Europe PMC PMID:29017833 Europe PMC Reaxys:4274654 Reaxys 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid IUPAC Amoxicillin KEGG_COMPOUND (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC 6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid ChemIDplus AMPC DrugBank AX ChEBI Amolin DrugBank Amopenixin DrugBank Amoxicillin anhydrous KEGG_COMPOUND Clamoxyl ChemIDplus Moxal DrugBank alpha-amino-p-hydroxybenzylpenicillin ChemIDplus amoxicilina ChemIDplus amoxicillin KEGG_DRUG amoxicilline ChemIDplus amoxicillinum ChemIDplus amoxycilin ChEBI amoxycillin ChemIDplus p-hydroxyampicillin ChemIDplus chebi_ontology CHEBI:26761 steroid antibiotic 0 C14H12 InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H PJANXHGTPQOBST-UHFFFAOYSA-N 180.24508 180.09390 [H]C(=C([H])c1ccccc1)c1ccccc1 Beilstein:1904445 CAS:588-59-0 Gmelin:67845 Wikipedia:Stilbene 1,1'-(ethene-1,2-diyl)dibenzene stilbene chebi_ontology 1,1'-(1,2-ethenediyl)bis[benzene] 1,1'-(1,2-ethenediyl)bisbenzene 1,1'-(1,2-ethenediyl)dibenzene 1,1'-ethene-1,2-diyldibenzene 1,2-diphenylethylene alpha,beta-diphenylethylene CHEBI:26775 stilbene Beilstein:1904445 ChemIDplus CAS:588-59-0 ChemIDplus CAS:588-59-0 NIST Chemistry WebBook Gmelin:67845 Gmelin 1,1'-(ethene-1,2-diyl)dibenzene IUPAC stilbene ChemIDplus 1,1'-(1,2-ethenediyl)bis[benzene] NIST_Chemistry_WebBook 1,1'-(1,2-ethenediyl)bisbenzene ChemIDplus 1,1'-(1,2-ethenediyl)dibenzene ChemIDplus 1,1'-ethene-1,2-diyldibenzene ChEBI 1,2-diphenylethylene NIST_Chemistry_WebBook alpha,beta-diphenylethylene NIST_Chemistry_WebBook Any olefinic compound characterised by a 1,2-diphenylethylene backbone. chebi_ontology stilbenes stilbenoids CHEBI:26776 stilbenoid stilbenes ChEBI stilbenoids ChEBI chebi_ontology CHEBI:26788 streptomycins chebi_ontology carbohydrate phosphates CHEBI:26816 carbohydrate phosphate carbohydrate phosphates ChEBI An ester of an alcohol and sulfuric acid. 0 O4SR2 96.06300 95.95173 [*]OS(=O)(=O)O[*] chebi_ontology sulfate ester sulfuric acid ester sulfuric acid esters CHEBI:26819 sulfuric ester sulfate ester ChEBI sulfuric acid ester ChEBI sulfuric acid esters ChEBI A macrolide antibiotic used to treat potentially life-threatening fungal infections. 0 C47H73NO17 InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 APKFDSVGJQXUKY-INPOYWNPSA-N 924.07900 923.48785 [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 CHEBI:106303 CHEBI:566395 Beilstein:4645978 CAS:1397-89-3 DrugBank:DB00681 Drug_Central:197 KEGG:C06573 KEGG:D00203 LIPID_MAPS_instance:LMPK06000002 PMID:11429202 PMID:11930683 PMID:15793154 PMID:16120633 PMID:16793999 PMID:1732516 PMID:17507115 PMID:33846129 Patent:US2908611 Reaxys:4645978 Wikipedia:Amphotericin_B (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid chebi_ontology AMPH-B Amphotericine B Liposomal Amphotericin B amfotericina B amphotericin B amphotericine B amphotericinum B CHEBI:2682 amphotericin B Beilstein:4645978 Beilstein CAS:1397-89-3 ChemIDplus CAS:1397-89-3 DrugBank CAS:1397-89-3 KEGG COMPOUND CAS:1397-89-3 KEGG DRUG Drug_Central:197 DrugCentral LIPID_MAPS_instance:LMPK06000002 LIPID MAPS PMID:11429202 Europe PMC PMID:11930683 Europe PMC PMID:15793154 Europe PMC PMID:16120633 Europe PMC PMID:16793999 Europe PMC PMID:1732516 ChEMBL PMID:17507115 ChEMBL PMID:33846129 Europe PMC Reaxys:4645978 Reaxys (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid IUPAC AMPH-B DrugBank Amphotericine B DrugBank Liposomal Amphotericin B DrugBank amfotericina B ChemIDplus amphotericin B KEGG_DRUG amphotericine B ChemIDplus amphotericinum B ChemIDplus Salts and esters of sulfuric acid sulfates chebi_ontology sulfuric acid derivative sulphates CHEBI:26820 sulfates sulfates ChEBI sulfuric acid derivative ChEBI sulphates ChEBI Any sulfur molecular entity that involves either covalently bonded or anionic sulfur. chebi_ontology sulphides CHEBI:26822 sulfide sulphides ChEBI chebi_ontology CHEBI:26830 sulfonium compound 0 S InChI=1S/S NINIDFKCEFEMDL-UHFFFAOYSA-N 32.06600 31.97207 [S] CAS:7704-34-9 KEGG:C00087 KEGG:D06527 PPDB:605 WebElements:S sulfur chebi_ontology 16S Elemental sulfur S Schwefel azufre soufre sulfur sulphur theion CHEBI:26833 sulfur atom CAS:7704-34-9 ChemIDplus CAS:7704-34-9 NIST Chemistry WebBook sulfur IUPAC 16S IUPAC Elemental sulfur KEGG_COMPOUND S IUPAC S KEGG_COMPOUND Schwefel ChEBI azufre ChEBI soufre ChEBI sulfur ChEBI sulfur UniProt sulphur ChEBI theion IUPAC sulfur molecular entity chebi_ontology sulfur molecular entities CHEBI:26835 sulfur molecular entity sulfur molecular entity ChEBI sulfur molecular entities ChEBI A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. 0 H2O4S InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4) QAOWNCQODCNURD-UHFFFAOYSA-N 98.07948 97.96738 [H]OS(=O)(=O)O[H] CAS:7664-93-9 Gmelin:2122 KEGG:C00059 KEGG:D05963 KNApSAcK:C00007530 MolBase:4 PMID:13568755 PMID:16122922 PMID:19397353 PMID:22047659 PMID:22136045 PMID:22204399 PMID:22267186 PMID:22296037 PMID:22364556 PMID:22435616 PPDB:606 Reaxys:2037554 Wikipedia:Sulfuric_acid Sulfuric acid dihydrogen tetraoxosulfate dihydroxidodioxidosulfur hydrogen tetraoxosulfate(2-) hydrogen tetraoxosulfate(VI) sulfuric acid tetraoxosulfuric acid chebi_ontology Acide sulfurique Acido sulfurico Acidum sulfuricum H2SO4 Schwefelsaeureloesungen [S(OH)2O2] [SO2(OH)2] sulphuric acid CHEBI:26836 sulfuric acid CAS:7664-93-9 ChemIDplus CAS:7664-93-9 KEGG COMPOUND CAS:7664-93-9 NIST Chemistry WebBook Gmelin:2122 Gmelin PMID:13568755 Europe PMC PMID:16122922 Europe PMC PMID:19397353 Europe PMC PMID:22047659 Europe PMC PMID:22136045 Europe PMC PMID:22204399 Europe PMC PMID:22267186 Europe PMC PMID:22296037 Europe PMC PMID:22364556 Europe PMC PMID:22435616 Europe PMC Reaxys:2037554 Reaxys Sulfuric acid KEGG_COMPOUND dihydrogen tetraoxosulfate IUPAC dihydroxidodioxidosulfur IUPAC hydrogen tetraoxosulfate(2-) IUPAC hydrogen tetraoxosulfate(VI) IUPAC sulfuric acid ChEBI sulfuric acid IUPAC tetraoxosulfuric acid IUPAC Acide sulfurique ChemIDplus Acido sulfurico ChemIDplus Acidum sulfuricum ChemIDplus H2SO4 IUPAC Schwefelsaeureloesungen ChemIDplus [S(OH)2O2] MolBase [SO2(OH)2] IUPAC sulphuric acid MolBase Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group. Wikipedia:Terpenoid Terpenoid terpenoids chebi_ontology terpenoide terpenoides CHEBI:26873 terpenoid Terpenoid ChEBI terpenoids IUPAC terpenoide IUPAC terpenoides IUPAC A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it. 0 C4H7OR3 71.09780 71.04969 OC(C[*])(C[*])C[*] tertiary alcohol chebi_ontology tertiary alcohols CHEBI:26878 tertiary alcohol tertiary alcohol ChEBI tertiary alcohols ChEBI Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions. 0 C6H2Cl4 215.892 213.89106 CAS:12408-10-5 tetrachlorobenzene chebi_ontology Tetrachlorbenzol CHEBI:26888 tetrachlorobenzene CAS:12408-10-5 ChemIDplus tetrachlorobenzene IUPAC Tetrachlorbenzol ChEBI A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. chebi_ontology CHEBI:26895 tetracyclines Any oxacycle having an oxolane (tetrahydrofuran) skeleton. chebi_ontology CHEBI:26912 oxolanes An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur. chebi_ontology thiocarboxylic esters CHEBI:26959 thiocarboxylic ester thiocarboxylic esters ChEBI An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms. chebi_ontology heterotricyclic compounds organic heterotricyclic compounds CHEBI:26979 organic heterotricyclic compound heterotricyclic compounds ChEBI organic heterotricyclic compounds ChEBI Poisonous substance produced by a biological organism such as a microbe, animal or plant. Wikipedia:Toxin toxin chebi_ontology toxins CHEBI:27026 toxin toxin IUPAC toxins ChEBI Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Wikipedia:Micronutrient chebi_ontology micronutrients trace elements CHEBI:27027 micronutrient micronutrients ChEBI trace elements ChEBI An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell. transition element chebi_ontology Uebergangselement Uebergangsmetalle metal de transicion metal de transition metales de transicion metaux de transition transition element transition elements transition metal transition metals CHEBI:27081 transition element atom transition element IUPAC Uebergangselement ChEBI Uebergangsmetalle ChEBI metal de transicion ChEBI metal de transition ChEBI metales de transicion ChEBI metaux de transition ChEBI transition element ChEBI transition elements ChEBI transition metal ChEBI transition metals ChEBI Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions. 0 C6H3Cl3 181.447 179.93003 Wikipedia:Trichlorobenzene trichlorobenzene chebi_ontology Trichlorbenzol CHEBI:27096 trichlorobenzene trichlorobenzene IUPAC Trichlorbenzol ChEBI A chemical compound containing three hydroxy groups. chebi_ontology triols CHEBI:27136 triol triols ChEBI chebi_ontology heterobicyclic compounds organic heterobicyclic compounds CHEBI:27171 organic heterobicyclic compound heterobicyclic compounds ChEBI organic heterobicyclic compounds ChEBI A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid. chebi_ontology univalent acyl group univalent carboacyl groups univalent carboxylic acyl groups CHEBI:27207 univalent carboacyl group univalent acyl group ChEBI univalent carboacyl groups ChEBI univalent carboxylic acyl groups ChEBI Any fatty acid containing at least one C=C or C#C bond. LIPID_MAPS_class:LMFA0103 PMID:5322381 chebi_ontology alkene acid olefinic acid unsaturated fatty acids CHEBI:27208 unsaturated fatty acid LIPID_MAPS_class:LMFA0103 LIPID MAPS PMID:5322381 Europe PMC alkene acid ChEBI olefinic acid ChEBI unsaturated fatty acids ChEBI unsaturated fatty acids LIPID_MAPS chebi_ontology CHEBI:27242 uridines A fatty acid which has a chain length greater than C22. Very long-chain fatty acids which have a chain length greater than C27 are also known as ultra-long-chain fatty acids. 0 CH2OR 45.017 44.99765 OC([*])=O LIPID_MAPS_instance:LMFA01010025 chebi_ontology VLCFA VLCFAs higher fatty acid very long-chain fatty acids CHEBI:27283 very long-chain fatty acid LIPID_MAPS_instance:LMFA01010025 LIPID MAPS VLCFA ChEBI VLCFAs ChEBI higher fatty acid ChEBI very long-chain fatty acids ChEBI Any plant metabolite that is found naturally as a component of a volatile oil. Wikipedia:Essential_oil chebi_ontology essential oil component essential oil components ethereal oil component ethereal oil components volatile oil components CHEBI:27311 volatile oil component essential oil component ChEBI essential oil components ChEBI ethereal oil component ChEBI ethereal oil components ChEBI volatile oil components ChEBI Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. chebi_ontology wasserloesliche Vitamine water-soluble vitamin water-soluble vitamins CHEBI:27314 water-soluble vitamin (role) wasserloesliche Vitamine ChEBI water-soluble vitamin ChEBI water-soluble vitamins ChEBI 0 Zn InChI=1S/Zn HCHKCACWOHOZIP-UHFFFAOYSA-N 65.39000 63.92914 [Zn] CAS:7440-66-6 Gmelin:16321 KEGG:C00038 PDBeChem:ZN WebElements:Zn zinc chebi_ontology 30Zn Zink Zn Zn(II) Zn2+ cinc zinc zincum CHEBI:27363 zinc atom CAS:7440-66-6 ChemIDplus CAS:7440-66-6 KEGG COMPOUND Gmelin:16321 Gmelin zinc IUPAC 30Zn IUPAC Zink ChEBI Zn IUPAC Zn(II) KEGG_COMPOUND Zn2+ KEGG_COMPOUND cinc ChEBI zinc ChEBI zincum ChEBI chebi_ontology zinc compounds zinc molecular entities CHEBI:27364 zinc molecular entity zinc compounds ChEBI zinc molecular entities ChEBI A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer). zwitterion zwitterions chebi_ontology compose zwitterionique compuestos zwitterionicos zwitteriones zwitterionic compounds CHEBI:27369 zwitterion zwitterion IUPAC zwitterions IUPAC compose zwitterionique IUPAC compuestos zwitterionicos IUPAC zwitteriones IUPAC zwitterionic compounds IUPAC An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups. 0 C8H18N6O4 InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6- MSXMXWJPFIDEMT-FAEUDGQSSA-N 262.26630 262.13895 NC(=N)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@@H]1O CHEBI:26781 CHEBI:9280 CAS:85-17-6 HMDB:HMDB0258506 KEGG:C00837 MetaCyc:CPD-10148 PMID:11642734 PMID:15736038 PMID:16956741 PMID:17011831 PMID:17609790 PMID:6076630 Reaxys:2816623 1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine Streptidine chebi_ontology 1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine 1,3-diguanidino-2,4,5,6-cyclohexanetetrol N,N'-bis(aminoiminomethyl)streptamine N,N'-diamidinostreptamine Streptamine, N,N'-bis(aminoiminomethyl)- streptidin CHEBI:27405 streptidine CAS:85-17-6 ChemIDplus CAS:85-17-6 KEGG COMPOUND PMID:11642734 Europe PMC PMID:15736038 Europe PMC PMID:16956741 Europe PMC PMID:17011831 Europe PMC PMID:17609790 Europe PMC PMID:6076630 Europe PMC Reaxys:2816623 Reaxys 1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine IUPAC N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine IUPAC Streptidine KEGG_COMPOUND 1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine ChemIDplus 1,3-diguanidino-2,4,5,6-cyclohexanetetrol ChEBI N,N'-bis(aminoiminomethyl)streptamine ChEBI N,N'-diamidinostreptamine ChEBI Streptamine, N,N'-bis(aminoiminomethyl)- ChemIDplus streptidin ChemIDplus 0 C21H43N5O7 InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 CEAZRRDELHUEMR-URQXQFDESA-N 477.59562 477.31625 CNC(C)[C@@H]1CC[C@@H](N)[C@H](O1)O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O[C@H]2OC[C@](C)(O)[C@H](NC)[C@H]2O)[C@H]1O CHEBI:24209 CHEBI:5309 CAS:25876-10-2 KEGG:C07656 (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside chebi_ontology Gentamicin C1 O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine CHEBI:27412 gentamycin C1 CAS:25876-10-2 ChemIDplus CAS:25876-10-2 KEGG COMPOUND (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside IUPAC Gentamicin C1 KEGG_COMPOUND O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine ChemIDplus A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. 0 C2H4O InChI=1S/C2H4O/c1-2-3-1/h1-2H2 IAYPIBMASNFSPL-UHFFFAOYSA-N 44.05256 44.02621 C1CO1 CHEBI:24001 CHEBI:4900 Beilstein:102378 CAS:75-21-8 Gmelin:676 HMDB:HMDB0031305 KEGG:C06548 KEGG:D03474 PMID:11437638 PMID:24313866 PMID:24882394 PMID:25005741 PMID:3932500 Reaxys:102378 UM-BBD_compID:c0527 Wikipedia:Oxirane oxirane chebi_ontology 1,2-Epoxyaethan 1,2-epoxyethane Aethylenoxid Amprolene Anprolene Anproline Dihydrooxirene Dimethylene oxide ETO Ethylene oxide Oxacyclopropane Oxane Oxidoethane Oxyfume epoxyethane ethene oxide oxyde d'ethylene CHEBI:27561 oxirane Beilstein:102378 Beilstein CAS:75-21-8 ChemIDplus CAS:75-21-8 KEGG COMPOUND CAS:75-21-8 NIST Chemistry WebBook Gmelin:676 Gmelin PMID:11437638 Europe PMC PMID:24313866 Europe PMC PMID:24882394 Europe PMC PMID:25005741 Europe PMC PMID:3932500 Europe PMC Reaxys:102378 Reaxys UM-BBD_compID:c0527 UM-BBD oxirane IUPAC 1,2-Epoxyaethan ChemIDplus 1,2-epoxyethane NIST_Chemistry_WebBook Aethylenoxid ChemIDplus Amprolene ChemIDplus Anprolene NIST_Chemistry_WebBook Anproline ChemIDplus Dihydrooxirene ChemIDplus Dimethylene oxide ChemIDplus ETO ChemIDplus Ethylene oxide KEGG_COMPOUND Oxacyclopropane ChemIDplus Oxane ChemIDplus Oxidoethane ChemIDplus Oxyfume ChEBI epoxyethane NIST_Chemistry_WebBook ethene oxide NIST_Chemistry_WebBook oxyde d'ethylene ChemIDplus An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4. 0 C7H7NO3 InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N 153.13540 153.04259 Nc1ccc(C(O)=O)c(O)c1 CHEBI:1789 CHEBI:20320 CHEBI:41152 Beilstein:473071 CAS:65-49-6 DrugBank:DB00233 Drug_Central:2050 Gmelin:306153 HMDB:HMDB0014378 KEGG:C02518 KEGG:D00162 LINCS:LSM-5862 PDBeChem:BHA PMID:11621575 PMID:1650428 PMID:23118010 PMID:24663015 PMID:25050392 PMID:25421465 PMID:25605031 PMID:25963985 PMID:26004847 PMID:26033719 PMID:26277036 PMID:26596566 PMID:26848874 PMID:27021327 PMID:27491492 PMID:27617928 PMID:27671064 PMID:28011126 PMID:28223391 PMID:28394286 PMID:28408267 PMID:28567674 PMID:28651968 PMID:28717039 PMID:28812999 Patent:DE50835 Patent:US2844625 Patent:US427564 Reaxys:473071 Wikipedia:Aminosalicylic_Acid 4-Aminosalicylic acid 4-amino-2-hydroxybenzoic acid chebi_ontology 2-HYDROXY-4-AMINOBENZOIC ACID 4-Aminosalicylate Aminosalicylic acid PAS Para-amino salicylic acid Paser p-aminosalicylic acid CHEBI:27565 4-aminosalicylic acid Beilstein:473071 Beilstein CAS:65-49-6 ChemIDplus CAS:65-49-6 KEGG COMPOUND CAS:65-49-6 NIST Chemistry WebBook Drug_Central:2050 DrugCentral Gmelin:306153 Gmelin PMID:11621575 Europe PMC PMID:1650428 Europe PMC PMID:23118010 Europe PMC PMID:24663015 Europe PMC PMID:25050392 Europe PMC PMID:25421465 Europe PMC PMID:25605031 Europe PMC PMID:25963985 Europe PMC PMID:26004847 Europe PMC PMID:26033719 Europe PMC PMID:26277036 Europe PMC PMID:26596566 Europe PMC PMID:26848874 Europe PMC PMID:27021327 Europe PMC PMID:27491492 Europe PMC PMID:27617928 Europe PMC PMID:27671064 Europe PMC PMID:28011126 Europe PMC PMID:28223391 Europe PMC PMID:28394286 Europe PMC PMID:28408267 Europe PMC PMID:28567674 Europe PMC PMID:28651968 Europe PMC PMID:28717039 Europe PMC PMID:28812999 Europe PMC Reaxys:473071 Reaxys 4-Aminosalicylic acid KEGG_COMPOUND 4-amino-2-hydroxybenzoic acid IUPAC 2-HYDROXY-4-AMINOBENZOIC ACID PDBeChem 4-Aminosalicylate KEGG_COMPOUND Aminosalicylic acid ChemIDplus PAS ChemIDplus Para-amino salicylic acid ChemIDplus Paser DrugBank p-aminosalicylic acid NIST_Chemistry_WebBook 0 C InChI=1S/C OKTJSMMVPCPJKN-UHFFFAOYSA-N 12.01070 12.00000 [C] CHEBI:23009 CHEBI:3399 CAS:7440-44-0 KEGG:C06265 WebElements:C carbon chebi_ontology 6C C Carbon Kohlenstoff carbon carbone carbonium carbono CHEBI:27594 carbon atom CAS:7440-44-0 ChemIDplus CAS:7440-44-0 KEGG COMPOUND carbon IUPAC 6C IUPAC C IUPAC C KEGG_COMPOUND Carbon KEGG_COMPOUND Kohlenstoff ChEBI carbon ChEBI carbone ChEBI carbonium ChEBI carbono ChEBI A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. 0 C28H40N2O9 InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1 UIFFUZWRFRDZJC-SBOOETFBSA-N 548.633 548.27338 C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O CHEBI:22584 CHEBI:40908 Beilstein:72665 CAS:1397-94-0 CAS:642-15-9 KEGG:C11339 MetaCyc:CPD-5744 PDBeChem:AY1 PMID:16819166 PMID:29790043 PMID:30914247 PMID:31079230 PMID:32662599 (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate chebi_ontology Antimycin A1 Antipiricullin Fintrol Virosin antimycin A1b CHEBI:2762 antimycin A Beilstein:72665 Beilstein CAS:1397-94-0 ChemIDplus CAS:642-15-9 ChemIDplus CAS:642-15-9 KEGG COMPOUND PMID:16819166 Europe PMC PMID:29790043 Europe PMC PMID:30914247 Europe PMC PMID:31079230 Europe PMC PMID:32662599 Europe PMC (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate IUPAC Antimycin A1 KEGG_COMPOUND Antipiricullin ChemIDplus Fintrol ChemIDplus Virosin ChemIDplus antimycin A1b ChEBI A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. 0 C15H23NO4 InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1 YPHMISFOHDHNIV-FSZOTQKASA-N 281.352 281.16271 [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 CHEBI:23484 CHEBI:4015 Beilstein:88868 CAS:66-81-9 KEGG:C06685 KEGG:D03625 KNApSAcK:C00047211 LINCS:LSM-2791 PDBeChem:3HE PMID:11972861 PMID:16659174 PMID:25209664 PMID:26715760 PMID:27192630 PMID:27665925 PMID:30154175 PMID:30916348 PMID:32299921 PMID:33101237 PPDB:1680 Reaxys:88868 Wikipedia:Cycloheximide 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione Cycloheximide cycloheximide chebi_ontology 3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide Cycloheximid Zykloheximid cicloheximida cicloheximide cicloheximidum naramycin naramycin A CHEBI:27641 cycloheximide Beilstein:88868 Beilstein CAS:66-81-9 ChemIDplus CAS:66-81-9 KEGG COMPOUND PMID:11972861 Europe PMC PMID:16659174 Europe PMC PMID:25209664 Europe PMC PMID:26715760 Europe PMC PMID:27192630 Europe PMC PMID:27665925 Europe PMC PMID:30154175 Europe PMC PMID:30916348 Europe PMC PMID:32299921 Europe PMC PMID:33101237 Europe PMC Reaxys:88868 Reaxys 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione IUPAC Cycloheximide KEGG_COMPOUND cycloheximide UniProt 3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide ChemIDplus Cycloheximid ChEBI Zykloheximid ChEBI cicloheximida ChemIDplus cicloheximide WHO_MedNet cicloheximidum ChemIDplus naramycin ChemIDplus naramycin A ChemIDplus A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. 0 C22H23ClN2O8 InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 CYDMQBQPVICBEU-XRNKAMNCSA-N 478.88000 478.11429 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O CHEBI:23164 CHEBI:3653 CAS:57-62-5 Drug_Central:624 HMDB:HMDB0014401 KEGG:C06571 KEGG:D07689 LIPID_MAPS_instance:LMPK07000004 PDBeChem:CTC PMID:23530364 PMID:24845506 PMID:25131164 PMID:25602656 PMID:7150561 PMID:7390959 PMID:7988792 Patent:US2482055 (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide chebi_ontology 7-Chlorotetracycline Aueromycin chlortetracycline chlortetracyclinum clortetraciclina CHEBI:27644 chlortetracycline CAS:57-62-5 ChemIDplus CAS:57-62-5 KEGG COMPOUND Drug_Central:624 DrugCentral LIPID_MAPS_instance:LMPK07000004 LIPID MAPS PMID:23530364 Europe PMC PMID:24845506 Europe PMC PMID:25131164 Europe PMC PMID:25602656 Europe PMC PMID:7150561 Europe PMC PMID:7390959 Europe PMC PMID:7988792 Europe PMC (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide IUPAC 7-Chlorotetracycline KEGG_COMPOUND Aueromycin KEGG_DRUG chlortetracycline WHO_MedNet chlortetracyclinum WHO_MedNet clortetraciclina WHO_MedNet A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). 0 C20H16N2O4 InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 VSJKWCGYPAHWDS-FQEVSTJZSA-N 348.35200 348.11101 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O CHEBI:22997 CHEBI:3343 Beilstein:6075662 CAS:7689-03-4 DrugBank:DB04690 KEGG:C01897 KNApSAcK:C00002145 LINCS:LSM-4611 PDBeChem:EHD PMID:11024478 PMID:11549373 PMID:23344961 PMID:23474217 PMID:23676007 PMID:8965250 Reaxys:6075662 Wikipedia:Camptothecin (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Camptothecin chebi_ontology (+)-camptothecin (+)-camptothecine (S)-(+)-camptothecin 20(S)-camptothecine 21,22-Secocamptothecin-21-oic acid lactone CPT Camptothecine D-camptothecin CHEBI:27656 camptothecin Beilstein:6075662 Beilstein CAS:7689-03-4 ChemIDplus PMID:11024478 Europe PMC PMID:11549373 Europe PMC PMID:23344961 Europe PMC PMID:23474217 Europe PMC PMID:23676007 Europe PMC PMID:8965250 Europe PMC Reaxys:6075662 Reaxys (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione IUPAC Camptothecin KEGG_COMPOUND (+)-camptothecin DrugBank (+)-camptothecine DrugBank (S)-(+)-camptothecin DrugBank 20(S)-camptothecine ChemIDplus 21,22-Secocamptothecin-21-oic acid lactone ChemIDplus CPT DrugBank Camptothecine ChemIDplus D-camptothecin DrugBank 0 C62H86N12O16 InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 RJURFGZVJUQBHK-IIXSONLDSA-N 1255.41700 1254.62847 [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C CHEBI:22218 CHEBI:2446 Beilstein:4173766 CAS:50-76-0 DrugBank:DB00970 Drug_Central:774 KEGG:C06770 KEGG:D00214 LINCS:LSM-5783 Wikipedia:Dactinomycin 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide Actinomycin D chebi_ontology 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide ActD Dactinomycin actinomycin C1 actinomycin IV CHEBI:27666 actinomycin D Beilstein:4173766 Beilstein CAS:50-76-0 ChemIDplus CAS:50-76-0 KEGG COMPOUND Drug_Central:774 DrugCentral 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide IUPAC Actinomycin D KEGG_COMPOUND 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide ChemIDplus ActD ChEBI Dactinomycin KEGG_COMPOUND actinomycin C1 ChEBI actinomycin IV ChemIDplus A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. 0 C22H24N2O9 InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 IWVCMVBTMGNXQD-PXOLEDIWSA-N 460.43400 460.14818 [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C CHEBI:25811 CHEBI:521157 CHEBI:596903 CHEBI:7871 BPDB:503 Beilstein:2686362 Beilstein:2714587 CAS:79-57-2 DrugBank:DB00595 Drug_Central:2041 Gmelin:623487 HMDB:HMDB0014733 KEGG:C06624 KNApSAcK:C00017127 LIPID_MAPS_instance:LMPK07000005 PMID:1650428 PMID:17386724 PMID:17638695 PMID:17870541 PMID:1833366 PMID:21136283 PMID:21488905 PMID:22013404 PMID:24247133 PMID:24281679 PMID:24290103 PMID:24362004 PMID:24510709 PMID:24607684 PMID:24853528 PMID:24983832 PMID:25019386 PMID:25035320 PMID:25081007 Pesticides:oxytetracycline Reaxys:2714587 VSDB:503 Wikipedia:Oxytetracycline (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide chebi_ontology 5-Hydroxytetracycline Oxyterracin Oxyterracine Oxytetracyclin Oxytetracycline (anhydrous) Oxytetracycline amphoteric oxitetraciclina oxytetracyclinum CHEBI:27701 oxytetracycline Beilstein:2686362 Beilstein Beilstein:2714587 Beilstein CAS:79-57-2 ChemIDplus CAS:79-57-2 KEGG COMPOUND Drug_Central:2041 DrugCentral Gmelin:623487 Gmelin LIPID_MAPS_instance:LMPK07000005 LIPID MAPS PMID:1650428 Europe PMC PMID:17386724 Europe PMC PMID:17638695 ChEMBL PMID:17870541 ChEMBL PMID:1833366 Europe PMC PMID:21136283 Europe PMC PMID:21488905 Europe PMC PMID:22013404 Europe PMC PMID:24247133 Europe PMC PMID:24281679 Europe PMC PMID:24290103 Europe PMC PMID:24362004 Europe PMC PMID:24510709 Europe PMC PMID:24607684 Europe PMC PMID:24853528 Europe PMC PMID:24983832 Europe PMC PMID:25019386 Europe PMC PMID:25035320 Europe PMC PMID:25081007 Europe PMC Pesticides:oxytetracycline Alan Wood's Pesticides Reaxys:2714587 Reaxys (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide IUPAC 5-Hydroxytetracycline ChemIDplus Oxyterracin ChemIDplus Oxyterracine ChemIDplus Oxytetracyclin ChemIDplus Oxytetracycline (anhydrous) ChemIDplus Oxytetracycline amphoteric ChemIDplus oxitetraciclina ChemIDplus oxytetracyclinum ChemIDplus A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. CHEBI:23648 CHEBI:4456 KEGG:C01689 detergent chebi_ontology Detergents CHEBI:27780 detergent detergent IUPAC Detergents KEGG_COMPOUND A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. 0 C7H7N3 InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) JWYUFVNJZUSCSM-UHFFFAOYSA-N 133.15070 133.06400 Nc1nc2ccccc2[nH]1 CHEBI:1016 CHEBI:19467 Beilstein:116525 CAS:934-32-7 KEGG:C10901 PDBeChem:AX7 PMID:22076761 PMID:22488868 PMID:22958065 PMID:24098350 Reaxys:116525 1H-benzimidazol-2-amine 2-Aminobenzimidazole 2-aminobenzimidazole chebi_ontology 2-Iminobenzimidazoline Benzimidazol-2-ylamine CHEBI:27822 2-aminobenzimidazole Beilstein:116525 Beilstein CAS:934-32-7 ChemIDplus CAS:934-32-7 KEGG COMPOUND CAS:934-32-7 NIST Chemistry WebBook PMID:22076761 Europe PMC PMID:22488868 Europe PMC PMID:22958065 Europe PMC PMID:24098350 Europe PMC Reaxys:116525 Reaxys 1H-benzimidazol-2-amine IUPAC 2-Aminobenzimidazole KEGG_COMPOUND 2-aminobenzimidazole UniProt 2-Iminobenzimidazoline ChemIDplus Benzimidazol-2-ylamine ChemIDplus A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. 0 C14H12O3 InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N 228.24328 228.07864 [H]C(=C([H])c1cc(O)cc(O)c1)c1ccc(O)cc1 CHEBI:11685 CHEBI:1366 CHEBI:19867 Beilstein:1912433 CAS:501-36-0 DrugBank:DB02709 KEGG:C03582 LINCS:LSM-2557 PMID:12939617 PMID:16461283 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol Resveratrol chebi_ontology 3,4',5-Trihydroxystilbene CHEBI:27881 resveratrol Beilstein:1912433 Beilstein CAS:501-36-0 KEGG COMPOUND PMID:12939617 Europe PMC PMID:16461283 Europe PMC 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol IUPAC Resveratrol KEGG_COMPOUND 3,4',5-Trihydroxystilbene KEGG_COMPOUND A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. 0 C22H24N2O8 InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 OFVLGDICTFRJMM-WESIUVDSSA-N 444.43460 444.15327 [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C CHEBI:26894 CHEBI:45729 CHEBI:9474 Beilstein:2230417 CAS:60-54-8 DrugBank:DB00759 Drug_Central:2611 Gmelin:1103368 KEGG:C06570 KEGG:D00201 MetaCyc:CPD0-1414 PDBeChem:TAC PMID:11061623 PMID:11550419 PMID:11744940 PMID:12934399 PMID:14585720 PMID:15825421 PMID:15913752 PMID:16443056 PMID:1650428 PMID:16749547 PMID:17251127 PMID:17260506 PMID:18326855 PMID:18406588 PMID:19032078 PMID:19112759 PMID:19136803 PMID:25286144 PMID:26876942 Patent:US2699054 Patent:US2712517 Patent:US2886595 Patent:US3005023 Patent:US3019173 Patent:US3301899 Reaxys:2230417 VSDB:1739 Wikipedia:Tetracycline (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide TETRACYCLINE Tetracycline tetracycline chebi_ontology (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide Abramycin Achromycin Anhydrotetracycline Deschlorobiomycin Liquamycin Tetracyclin Tetrazyklin Tsiklomitsin tetracycline tetracyclinum CHEBI:27902 tetracycline Beilstein:2230417 Beilstein CAS:60-54-8 ChemIDplus CAS:60-54-8 KEGG COMPOUND Drug_Central:2611 DrugCentral Gmelin:1103368 Gmelin PMID:11061623 Europe PMC PMID:11550419 Europe PMC PMID:11744940 Europe PMC PMID:12934399 Europe PMC PMID:14585720 Europe PMC PMID:15825421 Europe PMC PMID:15913752 Europe PMC PMID:16443056 Europe PMC PMID:1650428 Europe PMC PMID:16749547 Europe PMC PMID:17251127 Europe PMC PMID:17260506 Europe PMC PMID:18326855 Europe PMC PMID:18406588 Europe PMC PMID:19032078 Europe PMC PMID:19112759 Europe PMC PMID:19136803 Europe PMC PMID:25286144 Europe PMC PMID:26876942 Europe PMC Reaxys:2230417 Reaxys (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide IUPAC TETRACYCLINE PDBeChem Tetracycline KEGG_COMPOUND tetracycline ChEBI (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide ChemIDplus Abramycin ChemIDplus Achromycin ChEBI Anhydrotetracycline DrugBank Deschlorobiomycin ChemIDplus Liquamycin ChemIDplus Tetracyclin ChEBI Tetrazyklin ChEBI Tsiklomitsin ChemIDplus tetracycline ChemIDplus tetracyclinum ChemIDplus An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring. CHEBI:10427 CHEBI:22844 KEGG:C03438 PMID:19254642 PMID:22594007 Wikipedia:Beta-lactam_antibiotic chebi_ontology beta-Lactam antibiotics beta-lactam antibiotics CHEBI:27933 beta-lactam antibiotic PMID:19254642 Europe PMC PMID:22594007 Europe PMC beta-Lactam antibiotics KEGG_COMPOUND beta-lactam antibiotics ChEBI An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups. 0 C6H14N2O4 InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3-,4+,5-,6- ANLMVXSIPASBFL-FAEUDGQSSA-N 178.18640 178.09536 N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:26779 CHEBI:9277 Beilstein:26714 CAS:488-52-8 KEGG:C01854 Reaxys:2802452 (1R,2r,3S,4R,5s,6S)-4,6-diaminocyclohexane-1,2,3,5-tetrol 1,3-diamino-1,3-dideoxy-scyllo-inositol Streptamine chebi_ontology CHEBI:27955 streptamine Beilstein:26714 Beilstein CAS:488-52-8 ChemIDplus CAS:488-52-8 KEGG COMPOUND Reaxys:2802452 Reaxys (1R,2r,3S,4R,5s,6S)-4,6-diaminocyclohexane-1,2,3,5-tetrol IUPAC 1,3-diamino-1,3-dideoxy-scyllo-inositol IUPAC Streptamine KEGG_COMPOUND A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. 0 C66H75Cl2N9O24 InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 MYPYJXKWCTUITO-LYRMYLQWSA-N 1449.25336 1447.43020 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 CHEBI:27276 CHEBI:49941 CHEBI:9931 Beilstein:3132 CAS:1404-90-6 DrugBank:DB00512 Drug_Central:2807 KEGG:C06689 KEGG:D00212 KNApSAcK:C00016052 MetaCyc:CPD-12245 PDBeChem:VAN PMID:11028184 PMID:11408222 PMID:11688538 PMID:11864951 PMID:11886013 PMID:11980329 PMID:12019070 PMID:12541895 PMID:12852813 PMID:13370625 PMID:13521912 PMID:14605050 PMID:14702667 PMID:15047516 PMID:15081082 PMID:15465645 PMID:15590714 PMID:15792257 PMID:16183423 PMID:16184232 PMID:16420976 PMID:16596002 PMID:16720708 PMID:17027219 PMID:17184835 PMID:17299012 PMID:17594206 PMID:18030187 PMID:18159039 PMID:18162343 PMID:18260149 PMID:18361944 PMID:18462092 PMID:18582342 PMID:18817166 PMID:18983037 PMID:19107100 PMID:19830166 PMID:20956604 PMID:21109901 PMID:21458937 PMID:21466775 PMID:21664803 PMID:21719238 PMID:21951032 PMID:22011388 PMID:22015328 PMID:22027450 PMID:22124537 Patent:US3067099 Reaxys:3132 Wikipedia:Vancomycin (3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid VANCOMYCIN Vancomycin chebi_ontology (1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine] Vancocin vancomicin vancomicina vancomycin vancomycine vancomycinum CHEBI:28001 vancomycin Beilstein:3132 Beilstein CAS:1404-90-6 ChemIDplus CAS:1404-90-6 KEGG COMPOUND Drug_Central:2807 DrugCentral PMID:11028184 Europe PMC PMID:11408222 Europe PMC PMID:11688538 Europe PMC PMID:11864951 Europe PMC PMID:11886013 Europe PMC PMID:11980329 Europe PMC PMID:12019070 Europe PMC PMID:12541895 Europe PMC PMID:12852813 Europe PMC PMID:13370625 Europe PMC PMID:13521912 Europe PMC PMID:14605050 Europe PMC PMID:14702667 Europe PMC PMID:15047516 Europe PMC PMID:15081082 Europe PMC PMID:15465645 Europe PMC PMID:15590714 Europe PMC PMID:15792257 Europe PMC PMID:16183423 Europe PMC PMID:16184232 Europe PMC PMID:16420976 Europe PMC PMID:16596002 Europe PMC PMID:16720708 Europe PMC PMID:17027219 Europe PMC PMID:17184835 Europe PMC PMID:17299012 Europe PMC PMID:17594206 Europe PMC PMID:18030187 Europe PMC PMID:18159039 Europe PMC PMID:18162343 Europe PMC PMID:18260149 Europe PMC PMID:18361944 Europe PMC PMID:18462092 Europe PMC PMID:18582342 Europe PMC PMID:18817166 Europe PMC PMID:18983037 Europe PMC PMID:19107100 Europe PMC PMID:19830166 Europe PMC PMID:20956604 Europe PMC PMID:21109901 Europe PMC PMID:21458937 Europe PMC PMID:21466775 Europe PMC PMID:21664803 Europe PMC PMID:21719238 Europe PMC PMID:21951032 Europe PMC PMID:22011388 Europe PMC PMID:22015328 Europe PMC PMID:22027450 Europe PMC PMID:22124537 Europe PMC Reaxys:3132 Reaxys (3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid IUPAC VANCOMYCIN PDBeChem Vancomycin KEGG_COMPOUND (1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid ChEBI (2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine] JCBN Vancocin KEGG_DRUG vancomicin ChEBI vancomicina ChemIDplus vancomycin ChemIDplus vancomycine ChemIDplus vancomycinum ChemIDplus A member of the class of rifamycins that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei). 0 C43H58N4O12 InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 JQXXHWHPUNPDRT-WLSIYKJHSA-N 822.94020 822.40512 CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CCN(C)CC1)c(O)c4c3C2=O CHEBI:26577 CHEBI:45308 CHEBI:8858 Beilstein:5723476 CAS:13292-46-1 DrugBank:DB01045 HMDB:HMDB0015179 KEGG:C06688 KEGG:D00211 PDBeChem:RFP PMID:11600355 PMID:14665784 PMID:14670633 PMID:15331348 PMID:15383168 PMID:15705662 PMID:16159084 PMID:16515773 PMID:17828712 PMID:18332862 PMID:19386087 PMID:19458074 PMID:19723399 PMID:24718527 PMID:25720500 PMID:26725427 PMID:26819743 PMID:27082586 PMID:27143080 PMID:27182275 PMID:27242224 PMID:27470132 PMID:27569735 PMID:27617596 PMID:27640793 PMID:27755552 PMID:27795624 PMID:27883163 PMID:27965540 PMID:27993874 PMID:28081169 PMID:28118809 PMID:28181840 PMID:28184157 PMID:28207542 PMID:28262820 Patent:NL6509961 Patent:US3342810 Reaxys:5723476 Wikipedia:Rifampicin (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate Rifampicin chebi_ontology 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV RFP Rifampin rifamcin rifampicin rifampicina rifampicinum CHEBI:28077 rifampicin Beilstein:5723476 Beilstein CAS:13292-46-1 ChemIDplus CAS:13292-46-1 KEGG COMPOUND PMID:11600355 Europe PMC PMID:14665784 Europe PMC PMID:14670633 Europe PMC PMID:15331348 Europe PMC PMID:15383168 Europe PMC PMID:15705662 Europe PMC PMID:16159084 Europe PMC PMID:16515773 Europe PMC PMID:17828712 Europe PMC PMID:18332862 Europe PMC PMID:19386087 Europe PMC PMID:19458074 Europe PMC PMID:19723399 Europe PMC PMID:24718527 Europe PMC PMID:25720500 Europe PMC PMID:26725427 Europe PMC PMID:26819743 Europe PMC PMID:27082586 Europe PMC PMID:27143080 Europe PMC PMID:27182275 Europe PMC PMID:27242224 Europe PMC PMID:27470132 Europe PMC PMID:27569735 Europe PMC PMID:27617596 Europe PMC PMID:27640793 Europe PMC PMID:27755552 Europe PMC PMID:27795624 Europe PMC PMID:27883163 Europe PMC PMID:27965540 Europe PMC PMID:27993874 Europe PMC PMID:28081169 Europe PMC PMID:28118809 Europe PMC PMID:28181840 Europe PMC PMID:28184157 Europe PMC PMID:28207542 Europe PMC PMID:28262820 Europe PMC Reaxys:5723476 Reaxys (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate IUPAC Rifampicin KEGG_COMPOUND 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV ChemIDplus RFP DrugBank Rifampin KEGG_COMPOUND rifamcin ChEBI rifampicin KEGG_DRUG rifampicina DrugBank rifampicinum DrugBank CHEBI:10422 CHEBI:22818 KEGG:C02761 beta-L-Arabinoside chebi_ontology beta-L-arabinosides CHEBI:28079 beta-L-arabinoside beta-L-Arabinoside KEGG_COMPOUND beta-L-arabinosides ChEBI CHEBI:1462 CHEBI:19970 KEGG:C03674 chebi_ontology 3-(carbamoyloxymethyl)cephalosporins 3-Carbamoyloxymethylcephem CHEBI:28084 3-(carbamoyloxymethyl)cephalosporin 3-(carbamoyloxymethyl)cephalosporins ChEBI 3-Carbamoyloxymethylcephem KEGG_COMPOUND 0 C18H37N5O10 InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1 SKKLOUVUUNMCJE-FQSMHNGLSA-N 483.51390 483.25404 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O CHEBI:14489 CHEBI:24948 CHEBI:24949 CHEBI:6107 Beilstein:61646 CAS:4696-76-8 Drug_Central:1520 KEGG:C00825 KEGG:D07497 KNApSAcK:C00018692 PDBeChem:9CS (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside Kanamycin B chebi_ontology 2'-amino-2'-deoxykanamycin Bekanamycin Nebramycin V Nebramycin factor 5 O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->6))-2-deoxy-D-streptamine CHEBI:28098 kanamycin B Beilstein:61646 Beilstein CAS:4696-76-8 ChemIDplus CAS:4696-76-8 KEGG COMPOUND Drug_Central:1520 DrugCentral (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside IUPAC Kanamycin B KEGG_COMPOUND 2'-amino-2'-deoxykanamycin ChemIDplus Bekanamycin KEGG_COMPOUND Nebramycin V ChemIDplus Nebramycin factor 5 KEGG_COMPOUND O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->6))-2-deoxy-D-streptamine ChemIDplus A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). 0 C23H22O6 InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 JUVIOZPCNVVQFO-HBGVWJBISA-N 394.423 394.14164 [H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C CHEBI:26583 CHEBI:8897 BPDB:587 Beilstein:99070 CAS:83-79-4 DrugBank:DB11457 FooDB:FDB012837 HMDB:HMDB0034436 KEGG:C07593 KNApSAcK:C00002568 LINCS:LSM-5260 LIPID_MAPS_instance:LMPK12060007 PDBeChem:970 PMID:14976342 PMID:15043430 PMID:15790535 PMID:17077549 PMID:19013527 PMID:32972993 PMID:33402167 PMID:33901458 PMID:33961406 Patent:CN102007944 Patent:CN102090406 Reaxys:99070 VSDB:587 Wikipedia:Rotenone (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one Rotenone chebi_ontology (-)-cis-rotenone (-)-rotenone (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one 5'beta-rotenone Derris [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one barbasco canex dactinol noxfire paraderil tubatoxin CHEBI:28201 rotenone Beilstein:99070 Beilstein CAS:83-79-4 ChemIDplus CAS:83-79-4 KEGG COMPOUND CAS:83-79-4 NIST Chemistry WebBook LIPID_MAPS_instance:LMPK12060007 LIPID MAPS PMID:14976342 Europe PMC PMID:15043430 Europe PMC PMID:15790535 Europe PMC PMID:17077549 Europe PMC PMID:19013527 Europe PMC PMID:32972993 Europe PMC PMID:33402167 Europe PMC PMID:33901458 Europe PMC PMID:33961406 Europe PMC Reaxys:99070 Reaxys (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one IUPAC Rotenone KEGG_COMPOUND (-)-cis-rotenone ChemIDplus (-)-rotenone ChemIDplus (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one ChEBI 5'beta-rotenone NIST_Chemistry_WebBook Derris ChEBI [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one NIST_Chemistry_WebBook barbasco ChemIDplus canex ChemIDplus dactinol ChemIDplus noxfire ChemIDplus paraderil ChemIDplus tubatoxin ChemIDplus A monocarboxylic acid anion that is the conjugate base of dichloroacetic acid. -1 C2HCl2O2 InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1 JXTHNDFMNIQAHM-UHFFFAOYSA-M 127.93400 126.93591 [O-]C(=O)C(Cl)Cl CHEBI:23694 Beilstein:3903873 CAS:13425-80-4 Gmelin:200685 MetaCyc:CPD-9674 PMID:21153705 Reaxys:3903873 UM-BBD_compID:c0012 dichloroacetate chebi_ontology dichloracetate dichloroacetate ion dichloroacetic acid ion(1-) CHEBI:28240 dichloroacetate Beilstein:3903873 ChemIDplus CAS:13425-80-4 ChemIDplus Gmelin:200685 Gmelin PMID:21153705 Europe PMC Reaxys:3903873 Reaxys UM-BBD_compID:c0012 UM-BBD dichloroacetate IUPAC dichloracetate ChemIDplus dichloroacetate ion ChemIDplus dichloroacetic acid ion(1-) ChemIDplus A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine. 0 CH5N3O InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) DUIOPKIIICUYRZ-UHFFFAOYSA-N 75.07002 75.04326 NNC(N)=O CHEBI:26644 CHEBI:9102 Beilstein:506319 CAS:57-56-7 Gmelin:100758 KEGG:C02077 MetaCyc:SEMICARBAZIDE PMID:11958526 PMID:17499072 PMID:23194563 PMID:23683401 Reaxys:506319 Wikipedia:Semicarbazide Semicarbazide hydrazinecarboxamide chebi_ontology Aminoharnstoff Aminourea Carbamidsaeurehydrazid Carbamoylhydrazine Hydrazinecarboxamide Semikarbazid carbamylhydrazine carbazamide CHEBI:28306 semicarbazide Beilstein:506319 Beilstein CAS:57-56-7 ChemIDplus CAS:57-56-7 KEGG COMPOUND CAS:57-56-7 NIST Chemistry WebBook Gmelin:100758 Gmelin PMID:11958526 Europe PMC PMID:17499072 Europe PMC PMID:23194563 Europe PMC PMID:23683401 Europe PMC Reaxys:506319 Reaxys Semicarbazide KEGG_COMPOUND hydrazinecarboxamide IUPAC Aminoharnstoff ChEBI Aminourea KEGG_COMPOUND Carbamidsaeurehydrazid ChEBI Carbamoylhydrazine KEGG_COMPOUND Hydrazinecarboxamide KEGG_COMPOUND Semikarbazid NIST_Chemistry_WebBook carbamylhydrazine ChemIDplus carbazamide ChemIDplus A coumarin-derived antibiotic obtained from Streptomyces niveus. 0 C31H36N2O11 InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 YJQPYGGHQPGBLI-KGSXXDOSSA-N 612.62430 612.23191 CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C CHEBI:25597 CHEBI:44505 CHEBI:7644 CAS:303-81-1 DrugBank:DB01051 Drug_Central:1974 HMDB:HMDB0015185 KEGG:C05080 KNApSAcK:C00002487 LINCS:LSM-5910 PDBeChem:NOV PMID:17132020 PMID:18418407 PMID:19282394 PMID:19762445 PMID:20325309 PMID:21388139 PMID:22897434 PMID:26844397 PMID:26926630 PMID:27829510 PMID:27914946 PMID:28246042 PMID:28316592 PMID:9687383 Patent:WO2012049521 Patent:WO2012103487 Reaxys:1445842 Novobiocin chebi_ontology N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide novobiocina novobiocine novobiocinum CHEBI:28368 novobiocin CAS:303-81-1 ChemIDplus CAS:303-81-1 KEGG COMPOUND Drug_Central:1974 DrugCentral PMID:17132020 Europe PMC PMID:18418407 Europe PMC PMID:19282394 Europe PMC PMID:19762445 Europe PMC PMID:20325309 Europe PMC PMID:21388139 Europe PMC PMID:22897434 Europe PMC PMID:26844397 Europe PMC PMID:26926630 Europe PMC PMID:27829510 Europe PMC PMID:27914946 Europe PMC PMID:28246042 Europe PMC PMID:28316592 Europe PMC PMID:9687383 Europe PMC Reaxys:1445842 Reaxys Novobiocin KEGG_COMPOUND N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide ChEBI novobiocina DrugBank novobiocine DrugBank novobiocinum DrugBank 0 C19H37N5O7R2 447.527 447.26930 CHEBI:14294 CHEBI:24208 CHEBI:5308 CAS:11097-82-8 KEGG:C01918 chebi_ontology Gentamicin C CHEBI:28417 gentamycin C CAS:11097-82-8 KEGG COMPOUND Gentamicin C KEGG_COMPOUND A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains. 0 C54H90N6O18 InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1 FCFNRCROJUBPLU-DNDCDFAISA-N 1111.32180 1110.63116 CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C CHEBI:27269 CHEBI:66347 CHEBI:9924 Beilstein:78657 CAS:2001-95-8 KEGG:C06684 PMID:10603383 PMID:18633285 PMID:19347893 PMID:22683555 PMID:7590182 Reaxys:78657 Wikipedia:Valinomycin (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone Valinomycin chebi_ontology Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl) cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3 CHEBI:28545 valinomycin Beilstein:78657 Beilstein Beilstein:78657 ChemIDplus CAS:2001-95-8 ChemIDplus CAS:2001-95-8 KEGG COMPOUND PMID:10603383 Europe PMC PMID:18633285 Europe PMC PMID:19347893 Europe PMC PMID:22683555 Europe PMC PMID:7590182 Europe PMC Reaxys:78657 Reaxys (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone IUPAC Valinomycin KEGG_COMPOUND Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl) ChemIDplus cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3 ChEBI A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. 0 C15H26O InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3 CRDAMVZIKSXKFV-UHFFFAOYSA-N 222.36634 222.19837 [H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C CHEBI:24013 CHEBI:24014 CHEBI:4978 Beilstein:1763926 CAS:4602-84-0 DrugBank:DB02509 HMDB:HMDB0004305 KEGG:C01493 KNApSAcK:C00003132 LINCS:LSM-5398 PMID:17640272 PMID:19402910 PMID:23902158 PMID:24987733 Reaxys:1763926 3,7,11-trimethyldodeca-2,6,10-trien-1-ol Farnesol farnesol chebi_ontology 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol 3,7,11-trimethyl-2,6,10-dodecatrienol farnesyl alcohol CHEBI:28600 farnesol Beilstein:1763926 Beilstein CAS:4602-84-0 ChemIDplus CAS:4602-84-0 KEGG COMPOUND CAS:4602-84-0 NIST Chemistry WebBook PMID:17640272 Europe PMC PMID:19402910 Europe PMC PMID:23902158 Europe PMC PMID:24987733 Europe PMC Reaxys:1763926 Reaxys 3,7,11-trimethyldodeca-2,6,10-trien-1-ol IUPAC Farnesol KEGG_COMPOUND farnesol UniProt 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol ChemIDplus 3,7,11-trimethyl-2,6,10-dodecatrienol NIST_Chemistry_WebBook farnesyl alcohol NIST_Chemistry_WebBook A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. 0 CH3NO2 InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) KXDHJXZQYSOELW-UHFFFAOYSA-N 61.04006 61.01638 NC(O)=O CHEBI:22504 CHEBI:23002 CHEBI:3386 CHEBI:44573 Beilstein:1734754 CAS:463-77-4 DrugBank:DB04261 Gmelin:130345 KEGG:C01563 PDBeChem:OUT Wikipedia:Carbamic_acid CARBAMIC ACID Carbamic acid carbamic acid chebi_ontology Aminoameisensaeure Aminoformic acid Carbamate Carbamidsaeure CHEBI:28616 carbamic acid Beilstein:1734754 Beilstein CAS:463-77-4 ChemIDplus CAS:463-77-4 KEGG COMPOUND Gmelin:130345 Gmelin CARBAMIC ACID PDBeChem Carbamic acid KEGG_COMPOUND carbamic acid IUPAC Aminoameisensaeure ChEBI Aminoformic acid KEGG_COMPOUND Carbamate KEGG_COMPOUND Carbamidsaeure ChEBI 0 P InChI=1S/P OAICVXFJPJFONN-UHFFFAOYSA-N 30.97376 30.97376 [P] CHEBI:26080 CHEBI:8168 CAS:7723-14-0 Gmelin:16235 KEGG:C06262 WebElements:P phosphorus chebi_ontology 15P P Phosphor Phosphorus fosforo phosphore phosphorus CHEBI:28659 phosphorus atom CAS:7723-14-0 ChemIDplus CAS:7723-14-0 KEGG COMPOUND Gmelin:16235 Gmelin phosphorus IUPAC 15P IUPAC P IUPAC P KEGG_COMPOUND Phosphor ChEBI Phosphorus KEGG_COMPOUND fosforo ChEBI phosphore ChEBI phosphorus ChEBI A mixture of at least nine closely related homodetic cyclic peptides produced by Bacillus subtilis and B. licheniformis, which is particularly active against Gram-positive bacteria. C63H98N14O14S CHEBI:22684 CHEBI:2970 CAS:1405-87-4 DrugBank:DB00626 KEGG:C01667 KEGG:D00128 PMID:22114686 Wikipedia:Bacitracin Bacitracin chebi_ontology Baciim bacitracin bacitracina bacitracine bacitracins bacitracinum CHEBI:28669 bacitracin CAS:1405-87-4 ChemIDplus CAS:1405-87-4 KEGG COMPOUND PMID:22114686 Europe PMC Bacitracin KEGG_COMPOUND Baciim KEGG_DRUG bacitracin WHO_MedNet bacitracina WHO_MedNet bacitracine WHO_MedNet bacitracins ChEBI bacitracinum WHO_MedNet 0 Cu InChI=1S/Cu RYGMFSIKBFXOCR-UHFFFAOYSA-N 63.54600 62.92960 [Cu] CHEBI:23376 CHEBI:3874 CAS:7440-50-8 Gmelin:16269 KEGG:C00070 WebElements:Cu copper chebi_ontology 29Cu Copper Cu Kupfer cobre copper cuivre cuprum CHEBI:28694 copper atom CAS:7440-50-8 ChemIDplus CAS:7440-50-8 KEGG COMPOUND Gmelin:16269 Gmelin copper IUPAC 29Cu IUPAC Copper KEGG_COMPOUND Cu ChEBI Cu IUPAC Kupfer ChEBI cobre ChEBI copper ChEBI cuivre ChEBI cuprum IUPAC A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). 0 C12H26 InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 SNRUBQQJIBEYMU-UHFFFAOYSA-N 170.33484 170.20345 CCCCCCCCCCCC CHEBI:25464 CHEBI:41713 CHEBI:4675 Beilstein:1697175 CAS:112-40-3 DrugBank:DB02771 Gmelin:201408 HMDB:HMDB0031444 KEGG:C08374 KNApSAcK:C00001248 LIPID_MAPS_instance:LMFA11000004 MetaCyc:CPD-9290 PDBeChem:D12 PMID:24493301 Reaxys:1697175 Wikipedia:Dodecane DODECANE Dodecane dodecane chebi_ontology Bihexyl CH3-[CH2]10-CH3 Dihexyl Dodekan n-Dodecane CHEBI:28817 dodecane Beilstein:1697175 ChemIDplus CAS:112-40-3 ChemIDplus CAS:112-40-3 KEGG COMPOUND CAS:112-40-3 NIST Chemistry WebBook Gmelin:201408 Gmelin LIPID_MAPS_instance:LMFA11000004 LIPID MAPS PMID:24493301 Europe PMC Reaxys:1697175 Reaxys DODECANE PDBeChem Dodecane KEGG_COMPOUND dodecane IUPAC dodecane UniProt Bihexyl HMDB CH3-[CH2]10-CH3 IUPAC Dihexyl HMDB Dodekan ChEBI n-Dodecane KEGG_COMPOUND A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring. 0 C18H37N5O9 InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 NLVFBUXFDBBNBW-PBSUHMDJSA-N 467.51450 467.25913 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O CHEBI:19849 CHEBI:45933 CHEBI:9610 CAS:32986-56-4 DrugBank:DB00684 Drug_Central:2684 KEGG:C00397 KEGG:D00063 LINCS:LSM-6534 PDBeChem:TOY PMID:11000679 PMID:11072877 PMID:11459219 PMID:11478352 PMID:14961139 PMID:15813341 PMID:16205136 PMID:16239129 PMID:16478137 PMID:16650821 PMID:17150225 PMID:18331849 PMID:19072156 PMID:19220547 PMID:19340717 PMID:19465435 PMID:20000576 PMID:20884302 PMID:20938669 PMID:21275493 PMID:21343445 PMID:21357290 PMID:21396748 PMID:21414310 PMID:21429824 PMID:21438171 PMID:21530479 PMID:21592592 PMID:21726492 PMID:21756818 PMID:21796931 PMID:21815282 Reaxys:1357507 Wikipedia:Tobramycin (1S,2S,3R,4S,6R)-4,6-diamino-3-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside Tobramycin chebi_ontology 3'-Deoxykanamycin B Nebramycin 6 Nebramycin factir 6 O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine Tobracin (TN) Tobrex (TN) CHEBI:28864 tobramycin CAS:32986-56-4 ChemIDplus CAS:32986-56-4 KEGG COMPOUND Drug_Central:2684 DrugCentral PMID:11000679 Europe PMC PMID:11072877 Europe PMC PMID:11459219 Europe PMC PMID:11478352 Europe PMC PMID:14961139 Europe PMC PMID:15813341 Europe PMC PMID:16205136 Europe PMC PMID:16239129 Europe PMC PMID:16478137 Europe PMC PMID:16650821 Europe PMC PMID:17150225 Europe PMC PMID:18331849 Europe PMC PMID:19072156 Europe PMC PMID:19220547 Europe PMC PMID:19340717 Europe PMC PMID:19465435 Europe PMC PMID:20000576 Europe PMC PMID:20884302 Europe PMC PMID:20938669 Europe PMC PMID:21275493 Europe PMC PMID:21343445 Europe PMC PMID:21357290 Europe PMC PMID:21396748 Europe PMC PMID:21414310 Europe PMC PMID:21429824 Europe PMC PMID:21438171 Europe PMC PMID:21530479 Europe PMC PMID:21592592 Europe PMC PMID:21726492 Europe PMC PMID:21756818 Europe PMC PMID:21796931 Europe PMC PMID:21815282 Europe PMC Reaxys:1357507 Reaxys (1S,2S,3R,4S,6R)-4,6-diamino-3-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside IUPAC Tobramycin KEGG_COMPOUND 3'-Deoxykanamycin B KEGG_COMPOUND Nebramycin 6 ChemIDplus Nebramycin factir 6 KEGG_COMPOUND O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine ChemIDplus Tobracin (TN) KEGG_DRUG Tobrex (TN) KEGG_DRUG A C24 straight-chain saturated fatty acid. 0 C24H48O2 InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) QZZGJDVWLFXDLK-UHFFFAOYSA-N 368.63670 368.36543 CCCCCCCCCCCCCCCCCCCCCCCC(O)=O CHEBI:25467 CHEBI:26892 CHEBI:6458 Beilstein:1728237 CAS:557-59-5 Gmelin:107095 HMDB:HMDB0002003 KEGG:C08320 KNApSAcK:C00001223 LIPID_MAPS_instance:LMFA01010024 MetaCyc:TETRACOSANOATE PMID:21781003 PMID:23019902 PMID:23157011 PMID:23394615 PMID:23871298 PMID:24491713 PMID:3174658 Reaxys:1728237 Wikipedia:Lignoceric_acid Tetracosanoic acid tetracosanoic acid chebi_ontology CH3-[CH2]22-COOH Lignoceric acid Lignozerinsaeure Tetracosansaeure n-tetracosanoic acid tetracosanic acid tetracosoic acid tetraeicosanoic acid tetraicosanoic acid CHEBI:28866 tetracosanoic acid Beilstein:1728237 Beilstein CAS:557-59-5 ChemIDplus CAS:557-59-5 KEGG COMPOUND CAS:557-59-5 NIST Chemistry WebBook Gmelin:107095 Gmelin LIPID_MAPS_instance:LMFA01010024 LIPID MAPS PMID:21781003 Europe PMC PMID:23019902 Europe PMC PMID:23157011 Europe PMC PMID:23394615 Europe PMC PMID:23871298 Europe PMC PMID:24491713 Europe PMC PMID:3174658 Europe PMC Reaxys:1728237 Reaxys Tetracosanoic acid KEGG_COMPOUND tetracosanoic acid IUPAC CH3-[CH2]22-COOH IUPAC Lignoceric acid KEGG_COMPOUND Lignozerinsaeure ChEBI Tetracosansaeure ChEBI n-tetracosanoic acid ChEBI tetracosanic acid ChEBI tetracosoic acid ChEBI tetraeicosanoic acid ChEBI tetraicosanoic acid ChEBI The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid. -1 CO2R 44.00950 43.98983 [O-]C([*])=O CHEBI:13634 CHEBI:24022 CHEBI:4985 KEGG:C02403 PMID:18628202 Fatty acid anion chebi_ontology Alkanate Fettsaeureanion Fettsaeureanionen a fatty acid acido graso anionico acidos grasos anionicos anion de l'acide gras fatty acid anions CHEBI:28868 fatty acid anion PMID:18628202 Europe PMC Fatty acid anion KEGG_COMPOUND Alkanate KEGG_COMPOUND Fettsaeureanion ChEBI Fettsaeureanionen ChEBI a fatty acid UniProt acido graso anionico ChEBI acidos grasos anionicos ChEBI anion de l'acide gras ChEBI fatty acid anions ChEBI An imidazolidine-2,4-dione in which the nitrogen at position 1 is substituted by an N-(isopropyl)carboxamide group while that at position 3 is substituted by a 3,5-dichlorophenyl group. A contact fungicide, it blocks the growth of the fungal mycelium and inhibits the germination of fungal spores. It is used on fruit and vegetable crops affected by various fungal diseases. It is also used as a nematicide. 0 C13H13Cl2N3O3 InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20) ONUFESLQCSAYKA-UHFFFAOYSA-N 330.16700 329.03340 CC(C)NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 CHEBI:24871 CHEBI:8902 Beilstein:895003 CAS:36734-19-7 HMDB:HMDB0031795 KEGG:C11208 PMID:11451425 PMID:22115616 PMID:22262495 PPDB:403 Patent:CN103053579 Patent:CN103392726 Patent:DE2149923 Patent:US3755350 Pesticides:iprodione Reaxys:895003 UM-BBD_compID:c0635 Wikipedia:Iprodione 3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)-imidazolidine-1-carboxamide Iprodione chebi_ontology 3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide 3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide 3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide Rovral Rovrol CHEBI:28909 iprodione Beilstein:895003 Beilstein CAS:36734-19-7 ChemIDplus CAS:36734-19-7 KEGG COMPOUND CAS:36734-19-7 NIST Chemistry WebBook PMID:11451425 Europe PMC PMID:22115616 Europe PMC PMID:22262495 Europe PMC Pesticides:iprodione Alan Wood's Pesticides Reaxys:895003 Reaxys UM-BBD_compID:c0635 UM-BBD 3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)-imidazolidine-1-carboxamide IUPAC Iprodione KEGG_COMPOUND 3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin NIST_Chemistry_WebBook 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide ChemIDplus 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide UM-BBD 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide IUPAC 3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide ChemIDplus 3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide ChemIDplus Rovral ChEBI Rovral KEGG_COMPOUND Rovrol KEGG_COMPOUND A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus. 0 C3H7O4P InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 YMDXZJFXQJVXBF-STHAYSLISA-N 138.05900 138.00820 C[C@@H]1O[C@@H]1P(O)(O)=O CHEBI:24100 CHEBI:42503 CHEBI:8159 CAS:23155-02-4 DrugBank:DB00828 Drug_Central:1243 KEGG:C06454 KEGG:D04253 KNApSAcK:C00000789 MetaCyc:CPD0-1113 PDBeChem:FCN PMID:105327 PMID:17124631 PMID:19308743 PMID:2660079 PMID:288976 PMID:3464490 PMID:3900889 PMID:488578 PMID:614140 PMID:6348659 PMID:6796449 PMID:7030849 PMID:7224844 PMID:740308 PMID:9309262 Reaxys:1680831 FOSFOMYCIN [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid chebi_ontology (-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid (1R,2S)-epoxypropylphosphonic acid (2R-cis)-(3-Methyloxiranyl)phosphonic acid 1R-cis-(1,2-epoxypropyl)phosphonic acid FCM L-cis-1,2-epoxypropylphosphonic acid Phosphomycin Phosphonomycin cis-(1R,2S)-epoxypropylphosphonic acid fosfomicina fosfomycin fosfomycine fosfomycinum phosphonemycin CHEBI:28915 fosfomycin CAS:23155-02-4 ChemIDplus CAS:23155-02-4 KEGG COMPOUND Drug_Central:1243 DrugCentral PMID:105327 Europe PMC PMID:17124631 Europe PMC PMID:19308743 Europe PMC PMID:2660079 Europe PMC PMID:288976 Europe PMC PMID:3464490 Europe PMC PMID:3900889 Europe PMC PMID:488578 Europe PMC PMID:614140 Europe PMC PMID:6348659 Europe PMC PMID:6796449 Europe PMC PMID:7030849 Europe PMC PMID:7224844 Europe PMC PMID:740308 Europe PMC PMID:9309262 Europe PMC Reaxys:1680831 Reaxys FOSFOMYCIN PDBeChem [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid IUPAC (-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid ChemIDplus (1R,2S)-epoxypropylphosphonic acid MetaCyc (2R-cis)-(3-Methyloxiranyl)phosphonic acid ChemIDplus 1R-cis-(1,2-epoxypropyl)phosphonic acid ChEBI FCM KEGG_DRUG L-cis-1,2-epoxypropylphosphonic acid MetaCyc Phosphomycin ChemIDplus Phosphonomycin KEGG_COMPOUND cis-(1R,2S)-epoxypropylphosphonic acid MetaCyc fosfomicina ChemIDplus fosfomycin KEGG_DRUG fosfomycine ChemIDplus fosfomycinum ChemIDplus phosphonemycin MetaCyc An onium cation obtained by protonation of ammonia. +1 H4N InChI=1S/H3N/h1H3/p+1 QGZKDVFQNNGYKY-UHFFFAOYSA-O 18.03850 18.03383 [H][N+]([H])([H])[H] CHEBI:22534 CHEBI:49783 CHEBI:7435 CAS:14798-03-9 Gmelin:84 KEGG:C01342 MetaCyc:AMMONIUM MolBase:929 PDBeChem:NH4 PMID:11319011 PMID:11341317 PMID:12096804 PMID:14512268 PMID:14879753 PMID:16345391 PMID:16903292 PMID:17392693 PMID:18515490 PMID:19199063 PMID:19596600 PMID:19682559 PMID:19716251 PMID:21993530 PMID:22265469 PMID:22524020 PMID:22562341 PMID:22631217 Reaxys:16093784 Wikipedia:Ammonium ammonium azanium chebi_ontology Ammonium(1+) NH4(+) NH4+ [NH4](+) ammonium cation ammonium ion CHEBI:28938 ammonium CAS:14798-03-9 ChemIDplus CAS:14798-03-9 NIST Chemistry WebBook Gmelin:84 Gmelin PMID:11319011 Europe PMC PMID:11341317 Europe PMC PMID:12096804 Europe PMC PMID:14512268 Europe PMC PMID:14879753 Europe PMC PMID:16345391 Europe PMC PMID:16903292 Europe PMC PMID:17392693 Europe PMC PMID:18515490 Europe PMC PMID:19199063 Europe PMC PMID:19596600 Europe PMC PMID:19682559 Europe PMC PMID:19716251 Europe PMC PMID:21993530 Europe PMC PMID:22265469 Europe PMC PMID:22524020 Europe PMC PMID:22562341 Europe PMC PMID:22631217 Europe PMC Reaxys:16093784 Reaxys ammonium ChEBI ammonium IUPAC azanium IUPAC Ammonium(1+) ChemIDplus NH4(+) IUPAC NH4(+) UniProt NH4+ KEGG_COMPOUND [NH4](+) MolBase ammonium cation ChemIDplus ammonium ion PDBeChem Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups. CHEBI:22481 CHEBI:22530 CHEBI:2662 KEGG:C05383 PMID:18424273 PMID:9056391 chebi_ontology Aminosugars amino sugars aminosugar CHEBI:28963 amino sugar PMID:18424273 Europe PMC PMID:9056391 Europe PMC Aminosugars KEGG_COMPOUND amino sugars ChEBI aminosugar ChEBI A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid. -2 C2O4R 88.019 87.97966 [O-]C(=O)[*]C([O-])=O CHEBI:13632 CHEBI:23688 CHEBI:23689 CHEBI:38711 dicarboxylic acid dianion chebi_ontology a dicarboxylate dicarboxylate dicarboxylates dicarboxylic acid dianions CHEBI:28965 dicarboxylic acid dianion dicarboxylic acid dianion ChEBI a dicarboxylate UniProt dicarboxylate ChEBI dicarboxylates ChEBI dicarboxylic acid dianions ChEBI A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. 0 C16H19N3O4S InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N 349.40500 349.10963 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O CHEBI:22536 CHEBI:2683 CHEBI:40648 CHEBI:45042 Beilstein:4300240 CAS:69-53-4 DrugBank:DB00415 Drug_Central:198 HMDB:HMDB0014559 KEGG:C06574 KEGG:D00204 LINCS:LSM-5761 PDB:1H8S PDBeChem:AIC PDBeChem:PN1 PMID:10930630 PMID:12562703 PMID:12569987 PMID:12833570 PMID:14139119 PMID:14455820 PMID:15768449 PMID:16033609 PMID:18611716 PMID:19967069 PMID:2083978 PMID:23568176 PMID:23861268 PMID:24474427 PMID:24666465 PMID:25998949 PMID:28543395 PMID:29017833 PMID:6176550 PMID:8020088 PMID:9433938 Patent:GB902703 Patent:US2985648 Patent:US3157640 Reaxys:4300240 VSDB:1849 Wikipedia:Ampicillin 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid Ampicillin chebi_ontology (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid ABPC AMP AP Anhydrous ampicillin D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid D-(-)-ampicillin aminobenzylpenicillin ampicilina ampicillin ampicillin acid ampicillin anhydrous ampicilline ampicillinum CHEBI:28971 ampicillin Beilstein:4300240 Beilstein CAS:69-53-4 ChemIDplus Drug_Central:198 DrugCentral PMID:10930630 Europe PMC PMID:12562703 Europe PMC PMID:12569987 Europe PMC PMID:12833570 Europe PMC PMID:14139119 Europe PMC PMID:14455820 Europe PMC PMID:15768449 Europe PMC PMID:16033609 Europe PMC PMID:18611716 Europe PMC PMID:19967069 Europe PMC PMID:2083978 Europe PMC PMID:23568176 Europe PMC PMID:23861268 Europe PMC PMID:24474427 Europe PMC PMID:24666465 Europe PMC PMID:25998949 Europe PMC PMID:28543395 Europe PMC PMID:29017833 Europe PMC PMID:6176550 Europe PMC PMID:8020088 Europe PMC PMID:9433938 Europe PMC Reaxys:4300240 Reaxys 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid IUPAC Ampicillin KEGG_COMPOUND (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID PDBeChem (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid PDBeChem 6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid ChemIDplus ABPC ChEBI AMP ChEBI AP ChEBI Anhydrous ampicillin KEGG_COMPOUND D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid ChemIDplus D-(-)-ampicillin ChemIDplus aminobenzylpenicillin DrugBank ampicilina ChemIDplus ampicillin ChemIDplus ampicillin acid DrugBank ampicillin anhydrous DrugBank ampicilline ChemIDplus ampicillinum ChemIDplus 0 CH2O3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) BVKZGUZCCUSVTD-UHFFFAOYSA-N 62.02478 62.00039 OC(O)=O CHEBI:13351 CHEBI:23017 CHEBI:23744 CHEBI:3401 CAS:463-79-6 Gmelin:25554 KEGG:C01353 PDBeChem:CO3 Carbonic acid carbonic acid dihydroxidooxidocarbon chebi_ontology Dihydrogen carbonate H2CO3 Koehlensaeure [CO(OH)2] CHEBI:28976 carbonic acid CAS:463-79-6 ChemIDplus CAS:463-79-6 KEGG COMPOUND Gmelin:25554 Gmelin Carbonic acid KEGG_COMPOUND carbonic acid IUPAC dihydroxidooxidocarbon IUPAC Dihydrogen carbonate KEGG_COMPOUND H2CO3 IUPAC H2CO3 KEGG_COMPOUND Koehlensaeure ChEBI [CO(OH)2] IUPAC A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. 0 C18H18N8O7S3 InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 VAAUVRVFOQPIGI-SPQHTLEESA-N 554.58000 554.04606 [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O CHEBI:23059 CHEBI:3513 CHEBI:446214 Beilstein:6495519 CAS:73384-59-5 DrugBank:DB01212 Drug_Central:564 HMDB:HMDB0015343 KEGG:C06683 KEGG:D07659 MetaCyc:CPD-12294 PMID:11067716 PMID:11285492 PMID:11431418 PMID:11432680 PMID:11529382 PMID:11605716 PMID:11642230 PMID:11760218 PMID:11815759 PMID:11856984 PMID:11875753 PMID:11985490 PMID:12146884 PMID:12426628 PMID:12569987 PMID:12711894 PMID:12797390 PMID:12830336 PMID:12833570 PMID:12868545 PMID:1384868 PMID:15091234 PMID:15106316 PMID:15225244 PMID:15499067 PMID:15828439 PMID:15846537 PMID:15880392 PMID:15886468 PMID:16082406 PMID:16118675 PMID:16161754 PMID:16185184 PMID:16602117 PMID:16640341 PMID:16734965 PMID:17129840 PMID:17173674 PMID:17216959 PMID:17226043 PMID:17347554 PMID:17367972 PMID:17592517 PMID:18246742 PMID:18473104 PMID:18484523 PMID:18611641 PMID:18676229 PMID:18773080 PMID:18977704 PMID:19008722 PMID:19367098 PMID:19423473 PMID:19496200 PMID:19625514 PMID:19649758 PMID:21425867 PMID:29017833 Patent:GB2022090 Patent:US4327210 Reaxys:6495519 Wikipedia:Ceftriaxone 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ceftriaxona ceftriaxone ceftriaxonum rocephin CHEBI:29007 ceftriaxone Beilstein:6495519 Beilstein CAS:73384-59-5 ChemIDplus CAS:73384-59-5 KEGG COMPOUND CAS:73384-59-5 KEGG DRUG Drug_Central:564 DrugCentral PMID:11067716 Europe PMC PMID:11285492 Europe PMC PMID:11431418 Europe PMC PMID:11432680 Europe PMC PMID:11529382 Europe PMC PMID:11605716 Europe PMC PMID:11642230 Europe PMC PMID:11760218 Europe PMC PMID:11815759 Europe PMC PMID:11856984 Europe PMC PMID:11875753 Europe PMC PMID:11985490 Europe PMC PMID:12146884 Europe PMC PMID:12426628 Europe PMC PMID:12569987 Europe PMC PMID:12711894 Europe PMC PMID:12797390 Europe PMC PMID:12830336 Europe PMC PMID:12833570 Europe PMC PMID:12868545 Europe PMC PMID:1384868 Europe PMC PMID:15091234 Europe PMC PMID:15106316 Europe PMC PMID:15225244 Europe PMC PMID:15499067 Europe PMC PMID:15828439 Europe PMC PMID:15846537 Europe PMC PMID:15880392 Europe PMC PMID:15886468 Europe PMC PMID:16082406 Europe PMC PMID:16118675 Europe PMC PMID:16161754 Europe PMC PMID:16185184 Europe PMC PMID:16602117 Europe PMC PMID:16640341 ChEMBL PMID:16734965 Europe PMC PMID:17129840 Europe PMC PMID:17173674 Europe PMC PMID:17216959 Europe PMC PMID:17226043 Europe PMC PMID:17347554 Europe PMC PMID:17367972 Europe PMC PMID:17592517 Europe PMC PMID:18246742 Europe PMC PMID:18473104 Europe PMC PMID:18484523 Europe PMC PMID:18611641 Europe PMC PMID:18676229 Europe PMC PMID:18773080 Europe PMC PMID:18977704 Europe PMC PMID:19008722 Europe PMC PMID:19367098 Europe PMC PMID:19423473 Europe PMC PMID:19496200 Europe PMC PMID:19625514 Europe PMC PMID:19649758 Europe PMC PMID:21425867 Europe PMC PMID:29017833 Europe PMC Reaxys:6495519 Reaxys 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid IUPAC (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC ceftriaxona ChemIDplus ceftriaxone KEGG_DRUG ceftriaxonum ChemIDplus rocephin ChEBI A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum. 0 C31H48O6 InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 IECPWNUMDGFDKC-MZJAQBGESA-N 516.70920 516.34509 [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@@]4([H])\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]1(C)CC[C@@H](O)[C@H]2C CHEBI:24133 CHEBI:42742 CHEBI:5201 Beilstein:2197692 Beilstein:5672885 CAS:6990-06-3 DrugBank:DB02703 Drug_Central:1261 HMDB:HMDB0015570 KEGG:C06694 KEGG:D04281 KNApSAcK:C00023903 LIPID_MAPS_instance:LMPR0106040001 MetaCyc:CPD0-1606 PDBeChem:FUA PMID:11412963 PMID:12937375 PMID:13899435 PMID:13996455 PMID:15843024 PMID:17082187 PMID:20797618 PMID:22066960 PMID:22100514 PMID:22197537 PMID:22290345 PMID:22308410 PMID:22354299 PMID:22612900 PMID:22645663 PMID:22888356 PMID:23102978 PMID:23114758 PMID:23147726 PMID:8624493 Reaxys:2197692 VSDB:1776 Wikipedia:Fusidic_acid (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid Fusidic acid chebi_ontology Fucidin acid Fusidine Ramycin fucidic acid CHEBI:29013 fusidic acid Beilstein:2197692 Beilstein Beilstein:5672885 Beilstein CAS:6990-06-3 ChemIDplus Drug_Central:1261 DrugCentral LIPID_MAPS_instance:LMPR0106040001 LIPID MAPS PMID:11412963 Europe PMC PMID:12937375 Europe PMC PMID:13899435 Europe PMC PMID:13996455 Europe PMC PMID:15843024 Europe PMC PMID:17082187 Europe PMC PMID:20797618 Europe PMC PMID:22066960 Europe PMC PMID:22100514 Europe PMC PMID:22197537 Europe PMC PMID:22290345 Europe PMC PMID:22308410 Europe PMC PMID:22354299 Europe PMC PMID:22612900 Europe PMC PMID:22645663 Europe PMC PMID:22888356 Europe PMC PMID:23102978 Europe PMC PMID:23114758 Europe PMC PMID:23147726 Europe PMC PMID:8624493 Europe PMC Reaxys:2197692 Reaxys (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid IUPAC Fusidic acid KEGG_COMPOUND Fucidin acid ChemIDplus Fusidine ChemIDplus Ramycin ChemIDplus fucidic acid ChEBI An ion of copper carrying a double positive charge. +2 Cu InChI=1S/Cu/q+2 JPVYNHNXODAKFH-UHFFFAOYSA-N 63.54600 62.92850 [Cu++] CHEBI:20882 CHEBI:23380 CHEBI:49550 CAS:15158-11-9 Gmelin:6855 PDBeChem:CU PMID:23900424 PMID:24168430 Reaxys:3587177 copper(2+) copper(2+) ion copper(II) cation chebi_ontology COPPER (II) ION Cu(2+) Cu(II) Cu2+ copper(II) cation copper, ion (Cu2+) cupric ion CHEBI:29036 copper(2+) CAS:15158-11-9 ChemIDplus Gmelin:6855 Gmelin PMID:23900424 Europe PMC PMID:24168430 Europe PMC Reaxys:3587177 Reaxys copper(2+) IUPAC copper(2+) ion IUPAC copper(II) cation IUPAC COPPER (II) ION PDBeChem Cu(2+) UniProt Cu(II) ChEBI Cu2+ ChEBI copper(II) cation ChEBI copper, ion (Cu2+) ChemIDplus cupric ion ChEBI The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated. -1 CO2R 44.00950 43.98983 [O-]C([*])=O CHEBI:13626 CHEBI:13945 CHEBI:23026 CHEBI:58657 chebi_ontology a carboxylate carboxylic acid anions carboxylic anions CHEBI:29067 carboxylic acid anion a carboxylate UniProt carboxylic acid anions ChEBI carboxylic anions ChEBI A monoatomic monocation obtained from sodium. +1 Na InChI=1S/Na/q+1 FKNQFGJONOIPTF-UHFFFAOYSA-N 22.98977 22.98922 [Na+] CHEBI:26717 CHEBI:49766 CHEBI:9175 CAS:17341-25-2 Gmelin:15196 KEGG:C01330 PDBeChem:NA sodium cation sodium(1+) sodium(1+) ion sodium(I) cation chebi_ontology Na(+) Na+ SODIUM ION CHEBI:29101 sodium(1+) CAS:17341-25-2 ChemIDplus CAS:17341-25-2 NIST Chemistry WebBook Gmelin:15196 Gmelin sodium cation IUPAC sodium(1+) IUPAC sodium(1+) ion IUPAC sodium(I) cation IUPAC Na(+) IUPAC Na(+) UniProt Na+ KEGG_COMPOUND SODIUM ION PDBeChem A monoatomic monocation obtained from potassium. +1 K InChI=1S/K/q+1 NPYPAHLBTDXSSS-UHFFFAOYSA-N 39.09830 38.96316 [K+] CHEBI:26219 CHEBI:49685 CHEBI:8345 CAS:24203-36-9 Gmelin:15203 KEGG:C00238 KEGG:D08403 PDBeChem:K potassium cation potassium(1+) potassium(1+) ion potassium(I) cation chebi_ontology K(+) K+ POTASSIUM ION CHEBI:29103 potassium(1+) CAS:24203-36-9 NIST Chemistry WebBook Gmelin:15203 Gmelin potassium cation IUPAC potassium(1+) IUPAC potassium(1+) ion IUPAC potassium(I) cation IUPAC K(+) IUPAC K(+) UniProt K+ KEGG_COMPOUND POTASSIUM ION PDBeChem -1 HO2 InChI=1S/H2O2/c1-2/h1-2H/p-1 MHAJPDPJQMAIIY-UHFFFAOYSA-M 33.00674 32.99820 [H]O[O-] CAS:14691-59-9 Gmelin:507 dioxidanide hydrogen(peroxide)(1-) hydrogendioxide(1-) hydrogenperoxide(1-) chebi_ontology HO2(-) HOO anion HOO(-) [HO2](-) CHEBI:29192 hydrogenperoxide(1-) CAS:14691-59-9 ChemIDplus CAS:14691-59-9 NIST Chemistry WebBook Gmelin:507 Gmelin dioxidanide IUPAC hydrogen(peroxide)(1-) IUPAC hydrogendioxide(1-) IUPAC hydrogenperoxide(1-) IUPAC HO2(-) IUPAC HOO anion NIST_Chemistry_WebBook HOO(-) ChEBI [HO2](-) ChEBI 0 H2O3S InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3) BDHFUVZGWQCTTF-UHFFFAOYSA-N 82.08008 81.97247 [H]S(O)(=O)=O Gmelin:1404640 hydridohydroxidodioxidosulfur sulfonic acid chebi_ontology HSHO3 Sulfonsaeure [SHO2(OH)] acide sulfonique sulphonic acid CHEBI:29214 sulfonic acid Gmelin:1404640 Gmelin hydridohydroxidodioxidosulfur IUPAC sulfonic acid IUPAC HSHO3 IUPAC Sulfonsaeure ChEBI [SHO2(OH)] IUPAC acide sulfonique ChEBI sulphonic acid ChEBI An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety. 0 HSR 33.07300 32.97990 S[*] CHEBI:13443 CHEBI:13696 CHEBI:17366 CHEBI:26969 CHEBI:8766 CHEBI:9556 KEGG:C00145 Wikipedia:Thiol Thiol thiols chebi_ontology Mercaptan Merkaptan RSH a thiol mercaptans thiols CHEBI:29256 thiol Thiol KEGG_COMPOUND thiols IUPAC Mercaptan KEGG_COMPOUND Merkaptan ChEBI RSH IUPAC a thiol UniProt mercaptans ChEBI thiols ChEBI A monovalent inorganic anion obtained by deprotonation of phosphorous acid. -1 H2O3P InChI=1S/H2O3P/c1-4(2)3/h1-2H/q-1 BLBIZNCSZLTDPW-UHFFFAOYSA-N 80.98784 80.97470 [H]OP([O-])O[H] Gmelin:558293 dihydrogen(trioxidophosphate)(1-) dihydrogenphosphite dihydroxidooxidophosphate(1-) chebi_ontology H2PO3(-) [PO(OH)2] (-) dihydrogen phosphite CHEBI:29258 dihydrogenphosphite Gmelin:558293 Gmelin dihydrogen(trioxidophosphate)(1-) IUPAC dihydrogenphosphite IUPAC dihydroxidooxidophosphate(1-) IUPAC H2PO3(-) IUPAC [PO(OH)2] (-) IUPAC dihydrogen phosphite ChEBI A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. -2 HO3P InChI=1S/HO3P/c1-4(2)3/h1H/q-2 GBHRVZIGDIUCJB-UHFFFAOYSA-N 79.97990 79.96743 [H]OP([O-])[O-] Gmelin:323302 hydrogen(trioxidophosphate)(2-) hydrogenphosphite hydroxidodioxidophosphate(2-) chebi_ontology HPO3(2-) [PO2(OH)](2-) hydrogen phosphite CHEBI:29259 hydrogenphosphite Gmelin:323302 Gmelin hydrogen(trioxidophosphate)(2-) IUPAC hydrogenphosphite IUPAC hydroxidodioxidophosphate(2-) IUPAC HPO3(2-) IUPAC [PO2(OH)](2-) IUPAC hydrogen phosphite IUPAC -2 N2 InChI=1S/N2/c1-2/q-2 BZZJUZUZJRQHLZ-UHFFFAOYSA-N 28.01348 28.00725 [N-]=[N-] Gmelin:1565041 diazenediide dinitride(2-) chebi_ontology N2(2-) CHEBI:29277 dinitride(2-) Gmelin:1565041 Gmelin diazenediide IUPAC dinitride(2-) IUPAC N2(2-) IUPAC CHEBI:13810 CHEBI:22325 CHEBI:2583 chebi_ontology alkyl sulfates CHEBI:29281 alkyl sulfate alkyl sulfates ChEBI -1 H2N InChI=1S/H2N/h1H2/q-1 HYGWNUKOUCZBND-UHFFFAOYSA-N 16.02262 16.01927 [H][N-][H] amide azanide dihydridonitrate(1-) chebi_ontology NH2(-) CHEBI:29337 azanide amide IUPAC azanide IUPAC dihydridonitrate(1-) IUPAC NH2(-) IUPAC A divalent inorganic anion resulting from the removal of two protons from ammonia. -2 HN InChI=1S/HN/h1H/q-2 DZQYTNGKSBCIOE-UHFFFAOYSA-N 15.01468 15.01200 [N--][H] azanediide hydridonitrate(2-) chebi_ontology NH(2-) imide CHEBI:29340 hydridonitrate(2-) azanediide IUPAC hydridonitrate(2-) IUPAC NH(2-) IUPAC imide IUPAC A carboxamide derived from a monocarboxylic acid. 0 CNOR3 42.01680 41.99799 [*]N([*])C([*])=O CHEBI:13211 CHEBI:22207 CHEBI:25383 CHEBI:6977 chebi_ontology monocarboxylic acid amides CHEBI:29347 monocarboxylic acid amide monocarboxylic acid amides ChEBI 0 O2 31.99880 31.98983 O(O*)* peroxy chebi_ontology -OO- CHEBI:29369 peroxy group peroxy IUPAC -OO- IUPAC 0 C48H72O14 InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 RRZXIRBKKLTSOM-XPNPUAGNSA-N 873.07690 872.49221 CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C BPDB:8 Beilstein:3645625 CAS:65195-55-3 KEGG:C11983 LIPID_MAPS_instance:LMPK04000024 MetaCyc:CPD-12963 VSDB:8 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside Avermectin B1a chebi_ontology abamectin component B1a CHEBI:29534 avermectin B1a Beilstein:3645625 Beilstein CAS:65195-55-3 ChemIDplus CAS:65195-55-3 KEGG COMPOUND LIPID_MAPS_instance:LMPK04000024 LIPID MAPS (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside IUPAC Avermectin B1a KEGG_COMPOUND abamectin component B1a ChemIDplus 0 C47H70O14 InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1 ZFUKERYTFURFGA-PVVXTEPVSA-N 859.05030 858.47656 [H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O Beilstein:8399072 CAS:65195-56-4 KEGG:C11967 LIPID_MAPS_instance:LMPK04000020 MetaCyc:CPD-12964 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside Avermectin B1b chebi_ontology (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside abamectin component B1b CHEBI:29537 avermectin B1b Beilstein:8399072 Beilstein CAS:65195-56-4 ChemIDplus CAS:65195-56-4 KEGG COMPOUND LIPID_MAPS_instance:LMPK04000020 LIPID MAPS (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside IUPAC Avermectin B1b KEGG_COMPOUND (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside IUPAC abamectin component B1b ChemIDplus A macrolide antibiotic useful for the treatment of bacterial infections. 0 C38H72N2O12 InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-N 748.98450 748.50853 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O CHEBI:46596 Beilstein:5387583 CAS:83905-01-5 DrugBank:DB00207 Drug_Central:276 HMDB:HMDB0014352 KEGG:C06838 KEGG:D07486 LINCS:LSM-5821 PDBeChem:ZIT PMID:15143799 PMID:18253999 Patent:BE892357 Patent:US4517359 Reaxys:5387583 Reaxys:8820027 Wikipedia:Azithromycin (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside chebi_ontology (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one Azenil Azifast Azigram Azimakrol Azitromin Hemomycin Zithromax Zmax azithromycine azithromycinum azitromicina CHEBI:2955 azithromycin Beilstein:5387583 Beilstein CAS:83905-01-5 ChemIDplus Drug_Central:276 DrugCentral PMID:15143799 Europe PMC PMID:18253999 Europe PMC Reaxys:5387583 Reaxys Reaxys:8820027 Reaxys (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside IUPAC (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one ChemIDplus Azenil DrugBank Azifast ChEBI Azigram ChEBI Azimakrol ChEBI Azitromin ChEBI Hemomycin DrugBank Zithromax DrugBank Zmax DrugBank azithromycine ChemIDplus azithromycinum ChemIDplus azitromicina WHO_MedNet A complex mixture of related natural products isolated from the fermentation broth of a strain of Actinoplanes teichomyceticus comprising five major components (teicoplanin A2-1 through A2-5), a hydrolysis component (teicoplanin A3-1), and four minor components (teicoplanin RS-1 through RS-4). An antibiotic with a similar spectrum of activity to vancomycin, it is used to treat serious Gram-positive bacterial infections, including methicillin-resistant Staphylococcus aureus and Enterococcus faecalis. 0 CAS:61036-62-2 DrugBank:DB06149 KEGG:C15820 KEGG:D02142 PMID:1416858 PMID:24506456 PMID:24693468 PMID:25190719 PMID:25218156 PMID:25224001 PMID:25358800 PMID:25616054 PMID:25726436 Reaxys:8196734 Wikipedia:Teicoplanin chebi_ontology Targocid antibiotic 8327A teicoplanin teicoplanina teicoplanine teicoplaninum CHEBI:29687 teicoplanin CAS:61036-62-2 ChemIDplus CAS:61036-62-2 KEGG DRUG PMID:1416858 Europe PMC PMID:24506456 Europe PMC PMID:24693468 Europe PMC PMID:25190719 Europe PMC PMID:25218156 Europe PMC PMID:25224001 Europe PMC PMID:25358800 Europe PMC PMID:25616054 Europe PMC PMID:25726436 Europe PMC Reaxys:8196734 Reaxys Targocid KEGG_DRUG antibiotic 8327A ChemIDplus teicoplanin ChemIDplus teicoplanina ChemIDplus teicoplanine WHO_MedNet teicoplaninum ChemIDplus 0 C43H65N5O10 InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29+,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1 LJVAJPDWBABPEJ-MMEUOAQYSA-N 812.00390 811.47314 C[C@@]12[C@](N(C(O1)=O)CCCCN3C=C(N=C3)C=4C=CC=NC4)([C@@H](C)C(=O)[C@H](C)C[C@](OC)(C)[C@@H]([C@H](C([C@](C(O[C@@H]2CC)=O)(C)[H])=O)C)O[C@]5([C@H](O)[C@@H](N(C)C)C[C@H](O5)C)[H])[H] CHEBI:46029 CAS:191114-48-4 Drug_Central:2581 KEGG:C12009 KEGG:D01078 PDBeChem:TEL TELITHROMYCIN Telithromycin chebi_ontology (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside HMR 3647 HMR-3647 HMR3647 RU 66647 RU-66647 RU66647 CHEBI:29688 telithromycin CAS:191114-48-4 KEGG COMPOUND Drug_Central:2581 DrugCentral TELITHROMYCIN PDBeChem Telithromycin KEGG_COMPOUND (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside PDBeChem HMR 3647 DrugCentral HMR-3647 KEGG_COMPOUND HMR3647 KEGG_COMPOUND RU 66647 DrugCentral RU-66647 KEGG_COMPOUND RU66647 KEGG_COMPOUND A mixture of antiviral nucleoside antibiotics produced by Streptomyces lysosuperificus. It contains at least 10 homologues comprising uracil, N-acetylglucosamine, an 11-carbon aminodialdose called tunicamine, and a fatty acid linked to the amino group of the tunicamine. The homologues vary in the composition of the fatty acid moiety. 0 C25H38N4O16 650.587 650.22828 [H][C@@](O)(C[C@H]1O[C@@H](OC2O[C@H]([*]O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC([*])=O)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CAS:11089-65-9 KEGG:C12063 PMID:11478581 PMID:11514096 PMID:11732194 PMID:11798249 PMID:12093793 PMID:12106388 PMID:12136966 PMID:12232600 PMID:12232799 PMID:12515321 PMID:160437 PMID:1624425 PMID:3018444 PMID:315774 PMID:34700340 PMID:34979291 PMID:35233582 PMID:35370192 PMID:4624615 PMID:4630978 PMID:5103138 PMID:5103535 PMID:5168706 PMID:6153524 PMID:6813319 PMID:6975776 PMID:6992777 PMID:701277 PMID:7142115 PMID:7144800 PMID:7766032 Wikipedia:Tunicamycin Tunicamycin chebi_ontology CHEBI:29699 tunicamycin CAS:11089-65-9 ChemIDplus CAS:11089-65-9 KEGG COMPOUND PMID:11478581 Europe PMC PMID:11514096 Europe PMC PMID:11732194 Europe PMC PMID:11798249 Europe PMC PMID:12093793 Europe PMC PMID:12106388 Europe PMC PMID:12136966 Europe PMC PMID:12232600 Europe PMC PMID:12232799 Europe PMC PMID:12515321 Europe PMC PMID:160437 Europe PMC PMID:1624425 Europe PMC PMID:3018444 Europe PMC PMID:315774 Europe PMC PMID:34700340 Europe PMC PMID:34979291 Europe PMC PMID:35233582 Europe PMC PMID:35370192 Europe PMC PMID:4624615 Europe PMC PMID:4630978 Europe PMC PMID:5103138 Europe PMC PMID:5103535 Europe PMC PMID:5168706 Europe PMC PMID:6153524 Europe PMC PMID:6813319 Europe PMC PMID:6975776 Europe PMC PMID:6992777 Europe PMC PMID:701277 Europe PMC PMID:7142115 Europe PMC PMID:7144800 Europe PMC PMID:7766032 Europe PMC Tunicamycin KEGG_COMPOUND A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone. 0 C23H38O5 InChI=1S/C23H38O5/c1-7-18-12-15(4)19(24)10-9-14(3)11-16(5)21(8-2)28-22(26)13-20(25)17(6)23(18)27/h9-11,15-18,20-21,23,25,27H,7-8,12-13H2,1-6H3/b10-9+,14-11+/t15-,16+,17+,18+,20-,21-,23-/m1/s1 YJSXTLYNFBFHAT-HJOMEYPASA-N 394.54480 394.27192 CC[C@H]1C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O CHEBI:76805 CAS:74758-60-4 KEGG:C12000 MetaCyc:CPD-15948 PMID:3733529 PMID:6511663 PMID:6735923 PMID:6833128 PMID:7118724 Reaxys:5765520 (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione Tylactone tylactone chebi_ontology 20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide 20-Dsdr 20-deoxo-23-deoxytylonolide Protylonolide CHEBI:29700 tylactone CAS:74758-60-4 ChemIDplus CAS:74758-60-4 KEGG COMPOUND MetaCyc:CPD-15948 SUBMITTER PMID:3733529 Europe PMC PMID:6511663 Europe PMC PMID:6735923 Europe PMC PMID:6833128 Europe PMC PMID:7118724 Europe PMC Reaxys:5765520 Reaxys (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione IUPAC Tylactone KEGG_COMPOUND tylactone UniProt 20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide ChemIDplus 20-Dsdr ChemIDplus 20-deoxo-23-deoxytylonolide ChemIDplus Protylonolide KEGG_COMPOUND 0 NO2 46.00550 45.99290 *[N+](=O)[O-] nitro chebi_ontology -NO2 CHEBI:29785 nitro group nitro IUPAC -NO2 IUPAC 0 HS 33.074 32.97990 *S[H] CHEBI:26821 CHEBI:29916 sulfanyl thiol thiol group chebi_ontology -SH HS- Mercaptogruppe Merkaptogruppe Sulfhydrylgruppe Thiolgruppe mercapto group sulfhydryl group sulphydryl group CHEBI:29917 thiol group sulfanyl IUPAC thiol IUPAC thiol group UniProt -SH IUPAC HS- IUPAC Mercaptogruppe ChEBI Merkaptogruppe ChEBI Sulfhydrylgruppe ChEBI Thiolgruppe ChEBI mercapto group ChEBI sulfhydryl group ChEBI sulphydryl group ChEBI -1 HS InChI=1S/H2S/h1H2/p-1 RWSOTUBLDIXVET-UHFFFAOYSA-M 33.07394 32.98044 [S-][H] CAS:15035-72-0 Gmelin:24766 hydrogen(sulfide)(1-) hydrosulfide sulfanide chebi_ontology HS anion HS(-) hydrogen sulfide CHEBI:29919 hydrosulfide CAS:15035-72-0 ChemIDplus CAS:15035-72-0 NIST Chemistry WebBook Gmelin:24766 Gmelin hydrogen(sulfide)(1-) IUPAC hydrosulfide IUPAC sulfanide IUPAC HS anion NIST_Chemistry_WebBook HS(-) IUPAC hydrogen sulfide UniProt 0 HO3S 81.07214 80.96464 S(=O)(O)(*)=O PDBeChem:SFO SULFO GROUP hydroxydioxo-lambda(6)-sulfanyl hydroxysulfonyl sulfo chebi_ontology -S(O)2(OH) CHEBI:29922 sulfo group SULFO GROUP PDBeChem hydroxydioxo-lambda(6)-sulfanyl IUPAC hydroxysulfonyl IUPAC sulfo IUPAC -S(O)2(OH) IUPAC A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid. -1 C2H3O2 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 QTBSBXVTEAMEQO-UHFFFAOYSA-M 59.04402 59.01385 CC([O-])=O CHEBI:13704 CHEBI:22165 CHEBI:40480 Beilstein:1901470 CAS:71-50-1 DrugBank:DB03166 Gmelin:1379 KEGG:C00033 MetaCyc:ACET PDBeChem:ACT PMID:17190852 PMID:22211106 PMID:22371380 Reaxys:1901470 UM-BBD_compID:c0050 Wikipedia:Acetate acetate chebi_ontology ACETATE ION Azetat CH3-COO(-) Ethanoat MeCO2 anion acetic acid, ion(1-) ethanoate CHEBI:30089 acetate Beilstein:1901470 Beilstein CAS:71-50-1 ChemIDplus CAS:71-50-1 NIST Chemistry WebBook Gmelin:1379 Gmelin PMID:17190852 Europe PMC PMID:22211106 Europe PMC PMID:22371380 Europe PMC Reaxys:1901470 Reaxys UM-BBD_compID:c0050 UM-BBD acetate IUPAC acetate UniProt ACETATE ION PDBeChem Azetat ChEBI CH3-COO(-) IUPAC Ethanoat ChEBI MeCO2 anion NIST_Chemistry_WebBook acetic acid, ion(1-) ChemIDplus ethanoate ChEBI 0 H2N2 InChI=1S/H2N2/c1-2/h1-2H RAABOESOVLLHRU-UHFFFAOYSA-N 30.02936 30.02180 N=N CAS:3618-05-1 KEGG:C05360 diazene chebi_ontology Diimide HN=NH CHEBI:30096 diazene CAS:3618-05-1 ChemIDplus CAS:3618-05-1 NIST Chemistry WebBook diazene IUPAC Diimide NIST_Chemistry_WebBook HN=NH IUPAC -1 HN2 InChI=1S/HN2/c1-2/h1H/q-1 XSCXGOPPNHTWEF-UHFFFAOYSA-N 29.02142 29.01452 N=[N-] diazenide chebi_ontology N=NH(-) CHEBI:30103 diazenide diazenide IUPAC N=NH(-) IUPAC 0 N2 28.01348 28.00615 N(=N/*)\* diazenediyl chebi_ontology -N=N- azo diazene-1,2-diyl CHEBI:30106 azo group diazenediyl IUPAC -N=N- IUPAC azo IUPAC diazene-1,2-diyl IUPAC A member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops. 0 C14H18N4O3 InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20) RIOXQFHNBCKOKP-UHFFFAOYSA-N 290.31770 290.13789 CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12 Beilstein:825455 CAS:17804-35-2 HMDB:HMDB0031767 KEGG:C10896 PMID:15813220 PMID:16903866 PMID:19049291 PMID:24693254 PMID:24782104 PMID:25045800 PMID:25104429 PMID:25145128 PPDB:66 Pesticides:benomyl Reaxys:825455 Wikipedia:Benomyl Benomyl methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate chebi_ontology 1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat 1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester 1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol Benlate Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate CHEBI:3015 benomyl Beilstein:825455 Beilstein CAS:17804-35-2 ChemIDplus CAS:17804-35-2 KEGG COMPOUND CAS:17804-35-2 NIST Chemistry WebBook PMID:15813220 Europe PMC PMID:16903866 Europe PMC PMID:19049291 Europe PMC PMID:24693254 Europe PMC PMID:24782104 Europe PMC PMID:25045800 Europe PMC PMID:25104429 Europe PMC PMID:25145128 Europe PMC Pesticides:benomyl Alan Wood's Pesticides Reaxys:825455 Reaxys Benomyl KEGG_COMPOUND methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate IUPAC 1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat ChemIDplus 1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester ChemIDplus 1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol ChemIDplus Benlate KEGG_COMPOUND Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate HMDB Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate HMDB Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate HMDB 0 CS 44.07670 43.97207 S=C(*)* carbonothioyl thiocarbonyl chebi_ontology >C=S CHEBI:30256 thiocarbonyl group carbonothioyl IUPAC thiocarbonyl IUPAC >C=S IUPAC An alkane-alpha,omega-diamine in which the alkane is ethane. 0 C2H8N2 InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 PIICEJLVQHRZGT-UHFFFAOYSA-N 60.09840 60.06875 NCCN Beilstein:605263 CAS:107-15-3 Gmelin:1098 HMDB:HMDB0031225 KEGG:D01114 MetaCyc:CPD-3682 PDBeChem:EDN PMID:21616561 PMID:3692019 PMID:7070713 Reaxys:605263 Wikipedia:Ethylenediamine ethane-1,2-diamine ethylenediamine chebi_ontology 1,2-ethanediamine en CHEBI:30347 ethylenediamine Beilstein:605263 Beilstein CAS:107-15-3 ChemIDplus CAS:107-15-3 NIST Chemistry WebBook Gmelin:1098 Gmelin PMID:21616561 Europe PMC PMID:3692019 Europe PMC PMID:7070713 Europe PMC Reaxys:605263 Reaxys ethane-1,2-diamine IUPAC ethylenediamine IUPAC 1,2-ethanediamine IUPAC en IUPAC +2 0.00000 [*++] CHEBI:23856 CHEBI:4665 KEGG:C00572 chebi_ontology Divalent cation divalent inorganic cations monoatomic dications CHEBI:30412 monoatomic dication Divalent cation KEGG_COMPOUND divalent inorganic cations ChEBI monoatomic dications ChEBI +1 H3S InChI=1S/H2S/h1H2/p+1 RWSOTUBLDIXVET-UHFFFAOYSA-O 35.08982 34.99500 [H][S+]([H])[H] CAS:18155-21-0 Gmelin:307 sulfanium sulfonium trihydridosulfur(1+) chebi_ontology H3S(+) H3S+ [SH3](+) sulphonium CHEBI:30488 sulfonium CAS:18155-21-0 ChemIDplus CAS:18155-21-0 NIST Chemistry WebBook Gmelin:307 Gmelin sulfanium IUPAC sulfonium IUPAC trihydridosulfur(1+) IUPAC H3S(+) IUPAC H3S+ NIST_Chemistry_WebBook [SH3](+) ChEBI sulphonium ChEBI A compound comprising a benzene ring core carrying a carboxylic acid substituent. 0 C7H6O2 InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) WPYMKLBDIGXBTP-UHFFFAOYSA-N 122.12130 122.03678 OC(=O)c1ccccc1 CHEBI:22722 CHEBI:3029 CHEBI:41051 Beilstein:636131 CAS:65-85-0 DrugBank:DB03793 Drug_Central:4664 Gmelin:2946 HMDB:HMDB0001870 KEGG:C00180 KEGG:C00539 KEGG:D00038 KNApSAcK:C00000207 LINCS:LSM-37118 MetaCyc:BENZOATE PDBeChem:BEZ PMID:16728954 PMID:17439666 PMID:18314336 PPDB:1475 Reaxys:636131 Wikipedia:Benzoic_Acid YMDB:YMDB02301 BENZOIC ACID Benzoic acid benzoic acid chebi_ontology Aromatic carboxylic acid Benzenecarboxylic acid Benzeneformic acid Benzenemethanoic acid Benzoesaeure Dracylic acid E210 Phenylcarboxylic acid Phenylformic acid acide benzoique CHEBI:30746 benzoic acid Beilstein:636131 Beilstein CAS:65-85-0 ChemIDplus CAS:65-85-0 KEGG COMPOUND CAS:65-85-0 NIST Chemistry WebBook Drug_Central:4664 DrugCentral Gmelin:2946 Gmelin PMID:16728954 Europe PMC PMID:17439666 Europe PMC PMID:18314336 Europe PMC Reaxys:636131 Reaxys BENZOIC ACID PDBeChem Benzoic acid KEGG_COMPOUND benzoic acid IUPAC Aromatic carboxylic acid KEGG_COMPOUND Benzenecarboxylic acid KEGG_COMPOUND Benzeneformic acid HMDB Benzenemethanoic acid HMDB Benzoesaeure ChEBI Dracylic acid KEGG_COMPOUND E210 ChEBI Phenylcarboxylic acid HMDB Phenylformic acid KEGG_COMPOUND acide benzoique ChEBI The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. 0 CH2O2 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) BDAGIHXWWSANSR-UHFFFAOYSA-N 46.02538 46.00548 [H]C(O)=O CHEBI:24082 CHEBI:42460 CHEBI:5145 BPDB:1749 Beilstein:1209246 CAS:64-18-6 DrugBank:DB01942 Gmelin:1008 HMDB:HMDB0000142 KEGG:C00058 KNApSAcK:C00001182 LIPID_MAPS_instance:LMFA01010040 MetaCyc:FORMATE PDBeChem:FMT PMID:12591956 PMID:14637377 PMID:15811469 PMID:16120414 PMID:16185830 PMID:16222862 PMID:16230297 PMID:16445901 PMID:16465784 PMID:18034701 PMID:18397576 PMID:22080171 PMID:22280475 PMID:22304812 PMID:22385261 PMID:22447125 PMID:22483350 PMID:22499553 PMID:22540994 PMID:22606986 PMID:22622393 PMID:3946945 PMID:7361809 Patent:CN101481304 Reaxys:1209246 Wikipedia:Formic_acid FORMIC ACID Formic acid formic acid chebi_ontology Acide formique Ameisensaeure H-COOH HCO2H HCOOH Methanoic acid aminic acid bilorin formylic acid hydrogen carboxylic acid methoic acid CHEBI:30751 formic acid Beilstein:1209246 Beilstein CAS:64-18-6 ChemIDplus CAS:64-18-6 KEGG COMPOUND CAS:64-18-6 NIST Chemistry WebBook Gmelin:1008 Gmelin LIPID_MAPS_instance:LMFA01010040 LIPID MAPS PMID:12591956 Europe PMC PMID:14637377 Europe PMC PMID:15811469 Europe PMC PMID:16120414 Europe PMC PMID:16185830 Europe PMC PMID:16222862 Europe PMC PMID:16230297 Europe PMC PMID:16445901 Europe PMC PMID:16465784 Europe PMC PMID:18034701 Europe PMC PMID:18397576 Europe PMC PMID:22080171 Europe PMC PMID:22280475 Europe PMC PMID:22304812 Europe PMC PMID:22385261 Europe PMC PMID:22447125 Europe PMC PMID:22483350 Europe PMC PMID:22499553 Europe PMC PMID:22540994 Europe PMC PMID:22606986 Europe PMC PMID:22622393 Europe PMC PMID:3946945 Europe PMC PMID:7361809 Europe PMC Reaxys:1209246 Reaxys FORMIC ACID PDBeChem Formic acid KEGG_COMPOUND formic acid IUPAC Acide formique ChemIDplus Ameisensaeure ChemIDplus H-COOH IUPAC HCO2H ChEBI HCOOH NIST_Chemistry_WebBook Methanoic acid KEGG_COMPOUND aminic acid ChemIDplus bilorin ChemIDplus formylic acid ChemIDplus hydrogen carboxylic acid ChemIDplus methoic acid ChEBI A monohydroxybenzoate that is the conjugate base of salicylic acid. -1 C7H5O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1 YGSDEFSMJLZEOE-UHFFFAOYSA-M 137.11280 137.02442 Oc1ccccc1C([O-])=O CHEBI:15061 CHEBI:26595 Beilstein:3605209 CAS:63-36-5 Gmelin:3417 KEGG:C00805 PMID:16669002 PMID:16934829 Reaxys:3605209 UM-BBD_compID:c0043 2-hydroxybenzoate Salicylate salicylate chebi_ontology 2-hydroxybenzoic acid ion(1-) o-hydroxybenzoate sal CHEBI:30762 salicylate Beilstein:3605209 Beilstein CAS:63-36-5 ChemIDplus Gmelin:3417 Gmelin PMID:16669002 Europe PMC PMID:16934829 Europe PMC Reaxys:3605209 Reaxys UM-BBD_compID:c0043 UM-BBD 2-hydroxybenzoate IUPAC Salicylate KEGG_COMPOUND salicylate UniProt 2-hydroxybenzoic acid ion(1-) ChemIDplus o-hydroxybenzoate ChemIDplus sal IUPAC A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids. 0 C8H6O4 InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) QQVIHTHCMHWDBS-UHFFFAOYSA-N 166.13084 166.02661 OC(=O)c1cccc(c1)C(O)=O Beilstein:1909332 CAS:121-91-5 Gmelin:27618 MetaCyc:CPD0-1267 PMID:24101250 Reaxys:1909332 Wikipedia:Isophthalic_acid benzene-1,3-dicarboxylic acid chebi_ontology IPA m-benzenedicarboxylic acid meta-benzenedicarboxylic acid CHEBI:30802 isophthalic acid Beilstein:1909332 Beilstein CAS:121-91-5 ChemIDplus CAS:121-91-5 NIST Chemistry WebBook Gmelin:27618 Gmelin PMID:24101250 Europe PMC Reaxys:1909332 Reaxys benzene-1,3-dicarboxylic acid IUPAC IPA NIST_Chemistry_WebBook m-benzenedicarboxylic acid NIST_Chemistry_WebBook meta-benzenedicarboxylic acid ChEBI -2 C8H4O4 InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2 QQVIHTHCMHWDBS-UHFFFAOYSA-L 164.11496 164.01206 [O-]C(=O)c1cccc(c1)C([O-])=O Beilstein:3906186 Gmelin:328933 benzene-1,3-dicarboxylate chebi_ontology 1,3-benzenedicarboxylate isophthalate CHEBI:30803 isophthalate(2-) Beilstein:3906186 Beilstein Gmelin:328933 Gmelin benzene-1,3-dicarboxylate IUPAC 1,3-benzenedicarboxylate ChEBI isophthalate IUPAC isophthalate UniProt A dicarboxylic acid monoanion that is the conjugate base of isophthalic acid. -1 C8H5O4 InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1 QQVIHTHCMHWDBS-UHFFFAOYSA-M 165.12290 165.01933 OC(=O)c1cccc(c1)C([O-])=O Gmelin:1947083 MetaCyc:CPD0-1267 3-carboxybenzoate chebi_ontology hydrogen isophthalate CHEBI:30804 isophthalate(1-) Gmelin:1947083 Gmelin 3-carboxybenzoate IUPAC hydrogen isophthalate IUPAC A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom. 0 HOR 17.007 17.00274 O[*] CHEBI:13804 CHEBI:22288 CHEBI:2553 KEGG:C00069 Alcohol alcohols chebi_ontology an alcohol CHEBI:30879 alcohol Alcohol KEGG_COMPOUND alcohols IUPAC an alcohol UniProt 0 C6H14O6 182.172 182.07904 CHEBI:15093 CHEBI:26724 CHEBI:26726 CHEBI:33795 CHEBI:33796 CHEBI:9201 Beilstein:1721909 Gmelin:83165 Wikipedia:Sorbitol glucitol chebi_ontology Sorbitol gulitol rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol CHEBI:30911 glucitol Beilstein:1721909 Beilstein Gmelin:83165 Gmelin glucitol IUPAC Sorbitol KEGG_COMPOUND gulitol ChEBI rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol IUPAC -1 C8H11N2O3S InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1 NGHVIOIJCVXTGV-ALEPSDHESA-M 215.25062 215.04959 [H][C@@]1(N)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O CHEBI:12207 CHEBI:20704 Gmelin:604420 KEGG:C02954 (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate chebi_ontology CHEBI:30938 6-aminopenicillanate Gmelin:604420 Gmelin (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals. -1 C5H9O2 InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1 NQPDZGIKBAWPEJ-UHFFFAOYSA-M 101.12376 101.06080 CCCCC([O-])=O CHEBI:14751 CHEBI:25890 Beilstein:3903735 CAS:10023-74-2 Gmelin:325619 PMID:17314444 PMID:18783570 Reaxys:3903735 pentanoate chebi_ontology CH3-[CH2]3-COO(-) n-propylacetate pentanoate pentanoic acid, ion(1-) CHEBI:31011 valerate Beilstein:3903735 Beilstein CAS:10023-74-2 ChemIDplus Gmelin:325619 Gmelin PMID:17314444 Europe PMC PMID:18783570 Europe PMC Reaxys:3903735 Reaxys pentanoate IUPAC CH3-[CH2]3-COO(-) IUPAC n-propylacetate ChEBI pentanoate UniProt pentanoic acid, ion(1-) ChemIDplus A straight-chain saturated fatty acid anion that is the conjugate base of tetracosanoic acid (lignoceric acid), formed by deprotonation of the carboxy group. -1 C24H47O2 InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1 QZZGJDVWLFXDLK-UHFFFAOYSA-M 367.62880 367.35815 CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O Gmelin:373325 MetaCyc:TETRACOSANOATE tetracosanoate chebi_ontology CH3-[CH2]22-COO(-) Lignocerat Tetracosanoat lignocerate n-tetracosanoate tetracosanate tetracosoate tetraeicosanoate CHEBI:31014 tetracosanoate Gmelin:373325 Gmelin tetracosanoate IUPAC tetracosanoate UniProt CH3-[CH2]22-COO(-) IUPAC Lignocerat ChEBI Tetracosanoat ChEBI lignocerate CBN n-tetracosanoate ChEBI tetracosanate ChEBI tetracosoate ChEBI tetraeicosanoate ChEBI A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections. 0 C22H18N2 310.39170 310.14700 CAS:60628-96-8 DrugBank:DB04794 HMDB:HMDB0015583 KEGG:D01775 PMID:21746947 PMID:23066185 PMID:23283047 PMID:23467055 PMID:23586591 PMID:24215461 PMID:24849495 Reaxys:618427 Wikipedia:Bifonazole rac-1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole chebi_ontology (+-)-1-(p,alpha-Diphenylbenzyl)imidazole (+-)-bifonazole (+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole (RS)-bifonazole 1-((4-Biphenylyl)phenylmethyl)-1H-imidazole 1-(alpha-(4-Biphenylyl)benzyl)imidazole Mycospor bifonazol bifonazole bifonazolum rac-bifonazole racemic bifonazole CHEBI:31286 bifonazole CAS:60628-96-8 ChemIDplus CAS:60628-96-8 KEGG DRUG PMID:21746947 Europe PMC PMID:23066185 Europe PMC PMID:23283047 Europe PMC PMID:23467055 Europe PMC PMID:23586591 Europe PMC PMID:24215461 Europe PMC PMID:24849495 Europe PMC Reaxys:618427 Reaxys rac-1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole IUPAC (+-)-1-(p,alpha-Diphenylbenzyl)imidazole ChemIDplus (+-)-bifonazole ChEBI (+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole DrugBank (RS)-bifonazole ChEBI 1-((4-Biphenylyl)phenylmethyl)-1H-imidazole DrugBank 1-(alpha-(4-Biphenylyl)benzyl)imidazole ChemIDplus Mycospor KEGG_DRUG bifonazol DrugBank bifonazole KEGG_DRUG bifonazole WHO_MedNet bifonazolum DrugBank rac-bifonazole ChEBI racemic bifonazole ChEBI Any organic amino compound that is a derivative of ethylenediamine. chebi_ontology ethylenediamine derivatives CHEBI:31577 ethylenediamine derivative ethylenediamine derivatives ChEBI 0 C53H85NO20 InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1 IKYMLQOHQLVORI-PLAPNZKPSA-N 1056.250 1055.56649 [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](OC3C[C@@H](O)[C@@H](O)[C@H](C)O3)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 CAS:62997-67-5 HMDB:HMDB0242303 KEGG:C12156 LIPID_MAPS_instance:LMPK06000005 PMID:15504830 PMID:27803316 PMID:3182406 PMID:468732 (1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[(2,6-dideoxy-L-ribo-hexopyranosyl)oxy]-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid nystatin A3 chebi_ontology CHEBI:31927 nystatin A3 CAS:62997-67-5 ChemIDplus LIPID_MAPS_instance:LMPK06000005 LIPID MAPS PMID:15504830 Europe PMC PMID:27803316 Europe PMC PMID:3182406 Europe PMC PMID:468732 Europe PMC (1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[(2,6-dideoxy-L-ribo-hexopyranosyl)oxy]-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid IUPAC nystatin A3 KEGG_COMPOUND 0 C9H12N2S InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12) VRDIULHPQTYCLN-UHFFFAOYSA-N 180.271 180.07212 CCCC1=NC=CC(=C1)C(=S)N CHEBI:93717 CAS:14222-60-7 Drug_Central:2314 KEGG:D01195 LINCS:LSM-4210 Prothionamide prothionamide chebi_ontology 2-Propylisonicotinylthioamide 2-Propylthioisonicotinamide protionamid CHEBI:32066 Prothionamide CAS:14222-60-7 DrugCentral CAS:14222-60-7 KEGG COMPOUND Drug_Central:2314 DrugCentral Prothionamide KEGG_COMPOUND prothionamide DrugCentral 2-Propylisonicotinylthioamide DrugCentral 2-Propylthioisonicotinamide DrugCentral protionamid DrugCentral 0 2C21H39N7O12.3H2O4S C42H84N14O36S3 InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1 QTENRWWVYAAPBI-YCRXJPFRSA-N 1457.389 1456.43348 OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC BPDB:2472 CAS:3810-74-0 KEGG:D01350 Streptomycin sulfate chebi_ontology CHEBI:32158 streptomycin sulfate CAS:3810-74-0 KEGG COMPOUND Streptomycin sulfate KEGG_COMPOUND A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. 0 C12H14N4O4S InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N 310.33012 310.07358 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 Beilstein:306856 CAS:122-11-2 DrugBank:DB06150 Drug_Central:2501 Gmelin:677830 HMDB:HMDB0015621 KEGG:D01142 LINCS:LSM-5790 PMID:11431418 PMID:12038137 PMID:13831481 PMID:13840927 PMID:14435331 PMID:14437387 PMID:16001847 PMID:16390193 PMID:18574183 PMID:19927815 Reaxys:306856 VSDB:1833 Wikipedia:Sulfadimethoxine 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide Sulfadimethoxine chebi_ontology 2,4-dimethoxy-6-sulfanilamido-1,3-diazine 2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine 2,6-dimethoxy-4-sulfanilamidopyrimidine 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide 6-sulfanilamido-2,4-dimethoxypyrimidine Abcid (TN) Agribon (TN) N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide Sulfadimethoxydiazine Sulphadimethoxine sulfadimethoxinum sulfadimetoxina CHEBI:32161 sulfadimethoxine Beilstein:306856 Beilstein CAS:122-11-2 ChemIDplus CAS:122-11-2 KEGG DRUG Drug_Central:2501 DrugCentral Gmelin:677830 Gmelin PMID:11431418 Europe PMC PMID:12038137 Europe PMC PMID:13831481 Europe PMC PMID:13840927 Europe PMC PMID:14435331 Europe PMC PMID:14437387 Europe PMC PMID:16001847 Europe PMC PMID:16390193 Europe PMC PMID:18574183 Europe PMC PMID:19927815 Europe PMC Reaxys:306856 Reaxys 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide IUPAC Sulfadimethoxine KEGG_DRUG 2,4-dimethoxy-6-sulfanilamido-1,3-diazine ChemIDplus 2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine ChemIDplus 2,6-dimethoxy-4-sulfanilamidopyrimidine ChemIDplus 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide ChemIDplus 6-sulfanilamido-2,4-dimethoxypyrimidine ChemIDplus Abcid (TN) KEGG_DRUG Agribon (TN) KEGG_DRUG N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide ChemIDplus Sulfadimethoxydiazine ChemIDplus Sulphadimethoxine ChemIDplus sulfadimethoxinum ChemIDplus sulfadimetoxina ChemIDplus A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. -1 C6H4NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1 PVNIIMVLHYAWGP-UHFFFAOYSA-M 122.10150 122.02475 [O-]C(=O)c1cccnc1 CHEBI:14650 CHEBI:22851 CHEBI:25530 Beilstein:3539722 Gmelin:327384 KEGG:C00253 MetaCyc:NIACINE PMID:17190852 PMID:21742010 PMID:21953179 Reaxys:3539722 nicotinate pyridine-3-carboxylate chebi_ontology 3-pyridinecarboxylate CHEBI:32544 nicotinate Beilstein:3539722 Beilstein Gmelin:327384 Gmelin PMID:17190852 Europe PMC PMID:21742010 Europe PMC PMID:21953179 Europe PMC Reaxys:3539722 Reaxys nicotinate UniProt pyridine-3-carboxylate IUPAC 3-pyridinecarboxylate ChEBI A metal chloride salt with a K(+) counterion. 0 ClK InChI=1S/ClH.K/h1H;/q;+1/p-1 WCUXLLCKKVVCTQ-UHFFFAOYSA-M 74.55100 73.93256 [Cl-].[K+] CAS:7447-40-7 DrugBank:DB00761 KEGG:D02060 MetaCyc:KCL MolBase:881 Reaxys:3534978 Wikipedia:Potassium_Chloride potassium chloride chebi_ontology KCl Kaliumchlorid Kaon-Cl 10 Klor-con Klotrix Monopotassium chloride [KCl] muriate of potash sylvite CHEBI:32588 potassium chloride CAS:7447-40-7 ChemIDplus CAS:7447-40-7 NIST Chemistry WebBook Reaxys:3534978 Reaxys potassium chloride IUPAC KCl IUPAC Kaliumchlorid ChEBI Kaon-Cl 10 KEGG_DRUG Klor-con KEGG_DRUG Klotrix KEGG_DRUG Monopotassium chloride DrugBank [KCl] MolBase muriate of potash NIST_Chemistry_WebBook sylvite ChEBI An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. 0 C18H12 InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H IFLREYGFSNHWGE-UHFFFAOYSA-N 228.28788 228.09390 c1ccc2cc3cc4ccccc4cc3cc2c1 Beilstein:1909299 CAS:92-24-0 Gmelin:306993 PMID:11493061 PMID:24655187 Reaxys:1909299 Wikipedia:Tetracene tetracene chebi_ontology 2,3-benzanthracene benz[b]anthracene naphthacene CHEBI:32600 tetracene Beilstein:1909299 Beilstein CAS:92-24-0 ChemIDplus CAS:92-24-0 NIST Chemistry WebBook Gmelin:306993 Gmelin PMID:11493061 Europe PMC PMID:24655187 Europe PMC Reaxys:1909299 Reaxys tetracene IUPAC 2,3-benzanthracene NIST_Chemistry_WebBook benz[b]anthracene NIST_Chemistry_WebBook naphthacene IUPAC An alpha-amino-acid anion that is the conjugate base of serine. -1 C3H6NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1 MTCFGRXMJLQNBG-UHFFFAOYSA-M 104.08468 104.03532 NC(CO)C([O-])=O Gmelin:324692 serinate chebi_ontology 2-amino-3-hydroxypropanoate serine anion CHEBI:32845 serinate Gmelin:324692 Gmelin serinate IUPAC 2-amino-3-hydroxypropanoate IUPAC serine anion JCBN An alpha-amino-acid cation that is the conjugate acid of serine. +1 C3H8NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1 MTCFGRXMJLQNBG-UHFFFAOYSA-O 106.10056 106.04987 [NH3+]C(CO)C(O)=O Gmelin:1925675 serinium chebi_ontology 1-carboxy-2-hydroxyethanaminium serine cation CHEBI:32846 serinium Gmelin:1925675 Gmelin serinium IUPAC 1-carboxy-2-hydroxyethanaminium IUPAC serine cation JCBN An optically active form of prolinate having L-configuration. -1 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-M 114.12250 114.05605 [O-]C(=O)[C@@H]1CCCN1 Beilstein:4307988 Gmelin:82610 Reaxys:4307988 L-prolinate chebi_ontology (2S)-pyrrolidine-2-carboxylate L-proline anion CHEBI:32862 L-prolinate Beilstein:4307988 Beilstein Gmelin:82610 Gmelin Reaxys:4307988 Reaxys L-prolinate IUPAC (2S)-pyrrolidine-2-carboxylate IUPAC L-proline anion JCBN A compound formally derived from ammonia by replacing two hydrogen atoms by hydrocarbyl groups. 0 HNR2 15.01460 15.01090 [H]N([*])[*] CHEBI:26618 CHEBI:9078 KEGG:C02324 Secondary amine secondary amines chebi_ontology R2NH sekundaeres Amin CHEBI:32863 secondary amine Secondary amine KEGG_COMPOUND secondary amines IUPAC R2NH IUPAC sekundaeres Amin ChEBI An optically active form of prolinium having L-configuration. +1 C5H10NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-O 116.13840 116.07060 OC(=O)[C@@H]1CCC[NH2+]1 Gmelin:363493 L-prolinium chebi_ontology (2S)-2-carboxypyrrolidinium L-proline cation CHEBI:32864 L-prolinium Gmelin:363493 Gmelin L-prolinium IUPAC (2S)-2-carboxypyrrolidinium IUPAC L-proline cation JCBN An optically active form of prolinate having D-configuration. -1 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-M 114.12250 114.05605 [O-]C(=O)[C@H]1CCCN1 Gmelin:533350 D-prolinate chebi_ontology (2R)-pyrrolidine-2-carboxylate D-proline anion CHEBI:32867 D-prolinate Gmelin:533350 Gmelin D-prolinate IUPAC (2R)-pyrrolidine-2-carboxylate IUPAC D-proline anion JCBN An optically active form of prolinium having D-configuration. +1 C5H10NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-O 116.13840 116.07060 OC(=O)[C@H]1CCC[NH2+]1 Gmelin:363492 D-prolinium chebi_ontology (2R)-2-carboxypyrrolidinium D-proline cation CHEBI:32868 D-prolinium Gmelin:363492 Gmelin D-prolinium IUPAC (2R)-2-carboxypyrrolidinium IUPAC D-proline cation JCBN An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group. -1 C5H8NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1 ONIBWKKTOPOVIA-UHFFFAOYSA-M 114.12256 114.05605 [O-]C(=O)C1CCCN1 Beilstein:5387795 Gmelin:50151 Reaxys:5387795 prolinate chebi_ontology pro(-) proline anion pyrrolidine-2-carboxylate CHEBI:32871 prolinate Beilstein:5387795 Beilstein Gmelin:50151 Gmelin Reaxys:5387795 Reaxys prolinate IUPAC pro(-) IUPAC proline anion JCBN pyrrolidine-2-carboxylate IUPAC An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group. +1 C5H10NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1 ONIBWKKTOPOVIA-UHFFFAOYSA-O 116.13840 116.07060 OC(=O)C1CCC[NH2+]1 prolinium chebi_ontology 2-carboxypyrrolidinium H2pro(+) proline cation CHEBI:32872 prolinium prolinium IUPAC 2-carboxypyrrolidinium IUPAC H2pro(+) IUPAC proline cation JCBN A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups. 0 NR3 14.00670 14.00307 [*]N([*])[*] CHEBI:26879 CHEBI:9458 KEGG:C02196 Tertiary amine tertiary amines chebi_ontology R3N tertiaeres Amin CHEBI:32876 tertiary amine Tertiary amine KEGG_COMPOUND tertiary amines IUPAC R3N IUPAC tertiaeres Amin ChEBI A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group. 0 H2NR 16.02260 16.01872 N[*] CHEBI:26263 CHEBI:26265 CHEBI:8407 CHEBI:8409 KEGG:C00375 KEGG:C00893 KEGG:C02580 Primary amine primary amines chebi_ontology Primary monoamine R-NH2 RCH2NH2 primaeres Amin CHEBI:32877 primary amine Primary amine KEGG_COMPOUND primary amines IUPAC Primary monoamine KEGG_COMPOUND R-NH2 IUPAC RCH2NH2 KEGG_COMPOUND primaeres Amin ChEBI A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups. CHEBI:13814 CHEBI:22474 CHEBI:2641 KEGG:C00706 Amine amines chebi_ontology Amin Substituted amine CHEBI:32952 amine Amine KEGG_COMPOUND amines IUPAC Amin ChEBI Substituted amine KEGG_COMPOUND Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. 0 C2OR4 40.02080 39.99491 [*]C1([*])OC1([*])[*] CHEBI:13828 CHEBI:23930 CHEBI:4812 KEGG:C00722 PMID:10891060 Wikipedia:Epoxide Epoxide epoxides chebi_ontology Alkene oxide Olefin oxide an epoxide epoxides CHEBI:32955 epoxide PMID:10891060 Europe PMC Epoxide KEGG_COMPOUND epoxides IUPAC Alkene oxide KEGG_COMPOUND Olefin oxide KEGG_COMPOUND an epoxide UniProt epoxides ChEBI -1 C5H11N2O2 InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p-1 AHLPHDHHMVZTML-UHFFFAOYSA-M 131.15312 131.08260 NCCCC(N)C([O-])=O CHEBI:11448 CHEBI:19370 Gmelin:1242186 2,5-diaminopentanoate ornithinate chebi_ontology ornithine anion CHEBI:32964 ornithinate Gmelin:1242186 Gmelin 2,5-diaminopentanoate IUPAC ornithinate IUPAC ornithine anion JCBN An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. CHEBI:22473 CHEBI:2633 KEGG:C00241 Amide amides chebi_ontology CHEBI:32988 amide Amide KEGG_COMPOUND amides IUPAC -1 C7H5N2 InChI=1S/C7H5N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H/q-1 KLTWGRFNJPLFDA-UHFFFAOYSA-N 117.12808 117.04582 c1ccc2[n-]cnc2c1 Beilstein:3904522 Gmelin:326519 benzimidazol-1-ide chebi_ontology bim bzim CHEBI:33173 benzimidazolide Beilstein:3904522 Beilstein Gmelin:326519 Gmelin benzimidazol-1-ide IUPAC bim IUPAC bzim IUPAC A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines. CHEBI:10004 CHEBI:27305 Wikipedia:Vitamin chebi_ontology vitamin vitamina vitaminas vitamine vitamines vitamins vitaminum CHEBI:33229 vitamin (role) vitamin ChEBI vitamina ChEBI vitaminas ChEBI vitamine ChEBI vitamines ChEBI vitamins ChEBI vitaminum ChEBI A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. chebi_ontology antitubercular antitubercular agents antitubercular drug antitubercular drugs tuberculostatic agent CHEBI:33231 antitubercular agent antitubercular ChEBI antitubercular agents ChEBI antitubercular drug ChEBI antitubercular drugs ChEBI tuberculostatic agent ChEBI Intended use of the molecular entity or part thereof by humans. chebi_ontology CHEBI:33232 application A particle not known to have substructure. elementary particle chebi_ontology elementary particles CHEBI:33233 fundamental particle elementary particle IUPAC elementary particles ChEBI A monoatomic entity is a molecular entity consisting of a single atom. chebi_ontology atomic entity monoatomic entities CHEBI:33238 monoatomic entity atomic entity ChEBI monoatomic entities ChEBI An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands). coordination entities coordination entity chebi_ontology coordination compounds CHEBI:33240 coordination entity coordination entities IUPAC coordination entity IUPAC coordination compounds ChEBI chebi_ontology oxoacid derivatives CHEBI:33241 oxoacid derivative oxoacid derivatives ChEBI chebi_ontology inorganic hydrides CHEBI:33242 inorganic hydride inorganic hydrides ChEBI An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. chebi_ontology organic fundamental parents organic parent hydrides CHEBI:33245 organic fundamental parent organic fundamental parents ChEBI organic parent hydrides ChEBI Any substituent group which does not contain carbon. chebi_ontology inorganic groups CHEBI:33246 inorganic group inorganic groups ChEBI Any substituent group or skeleton containing carbon. chebi_ontology organic groups CHEBI:33247 organic group organic groups ChEBI A univalent group formed by removing a hydrogen atom from a hydrocarbon. hydrocarbyl group hydrocarbyl groups chebi_ontology groupe hydrocarbyle grupo hidrocarbilo grupos hidrocarbilo CHEBI:33248 hydrocarbyl group hydrocarbyl group IUPAC hydrocarbyl groups IUPAC groupe hydrocarbyle IUPAC grupo hidrocarbilo IUPAC grupos hidrocarbilo IUPAC Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. organyl group organyl groups chebi_ontology groupe organyle grupo organilo grupos organilo CHEBI:33249 organyl group organyl group IUPAC organyl groups IUPAC groupe organyle IUPAC grupo organilo IUPAC grupos organilo IUPAC A chemical entity constituting the smallest component of an element having the chemical properties of the element. CHEBI:22671 CHEBI:23907 atom chebi_ontology atome atomo atoms atomus element elements CHEBI:33250 atom atom IUPAC atome IUPAC atomo IUPAC atoms ChEBI atomus ChEBI element ChEBI elements ChEBI A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. nucleus chebi_ontology Atomkern Kern noyau noyau atomique nuclei nucleo nucleo atomico nucleus atomi CHEBI:33252 atomic nucleus nucleus IUPAC Atomkern ChEBI Kern ChEBI noyau IUPAC noyau atomique ChEBI nuclei ChEBI nucleo IUPAC nucleo atomico ChEBI nucleus atomi ChEBI Heavy nuclear particle: proton or neutron. nucleon chebi_ontology Nukleon Nukleonen nucleons CHEBI:33253 nucleon nucleon IUPAC nucleon IUPAC Nukleon ChEBI Nukleonen ChEBI nucleons ChEBI A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. primary amide primary amides chebi_ontology CHEBI:33256 primary amide primary amide IUPAC primary amides IUPAC A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group. secondary amide secondary amides chebi_ontology CHEBI:33257 secondary amide secondary amide IUPAC secondary amides IUPAC A molecular entity all atoms of which have the same atomic number. chebi_ontology homoatomic entity homoatomic molecular entities homoatomic molecular entity CHEBI:33259 elemental molecular entity homoatomic entity ChEBI homoatomic molecular entities ChEBI homoatomic molecular entity ChEBI An organosulfur compound is a compound containing at least one carbon-sulfur bond. CHEBI:23010 CHEBI:25714 Wikipedia:Organosulfur_compounds organosulfur compound chebi_ontology organosulfur compounds CHEBI:33261 organosulfur compound organosulfur compound ChEBI organosulfur compounds ChEBI 0 N2 28.013 28.00615 chebi_ontology CHEBI:33266 diatomic nitrogen chebi_ontology CHEBI:33267 elemental nitrogen An anion consisting of more than one atom. chebi_ontology polyatomic anions CHEBI:33273 polyatomic anion polyatomic anions ChEBI chebi_ontology chemical messenger CHEBI:33280 molecular messenger chemical messenger ChEBI A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. CHEBI:22582 PMID:12964249 PMID:22117953 PMID:22439833 PMID:22849268 PMID:22849276 PMID:22958833 chebi_ontology Antibiotika Antibiotikum antibiotic antibiotics antibiotique antimicrobial antimicrobial agents antimicrobials microbicide microbicides CHEBI:33281 antimicrobial agent PMID:12964249 Europe PMC PMID:22117953 Europe PMC PMID:22439833 Europe PMC PMID:22849268 Europe PMC PMID:22849276 Europe PMC PMID:22958833 Europe PMC Antibiotika ChEBI Antibiotikum ChEBI antibiotic ChEBI antibiotics ChEBI antibiotique IUPAC antimicrobial ChEBI antimicrobial agents ChEBI antimicrobials ChEBI microbicide ChEBI microbicides ChEBI A substance (or active part thereof) that kills or slows the growth of bacteria. chebi_ontology antibacterial agents antibacterials bactericide bactericides CHEBI:33282 antibacterial agent antibacterial agents ChEBI antibacterials ChEBI bactericide ChEBI bactericides ChEBI A nutrient is a food component that an organism uses to survive and grow. chebi_ontology nutrients CHEBI:33284 nutrient nutrients ChEBI A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. chebi_ontology heteroorganic entities organoelement compounds CHEBI:33285 heteroorganic entity heteroorganic entities ChEBI organoelement compounds ChEBI An agrochemical is a substance that is used in agriculture or horticulture. Wikipedia:Agrochemical chebi_ontology agrichemical agrichemicals agricultural chemicals agrochemicals CHEBI:33286 agrochemical agrichemical ChEBI agrichemicals ChEBI agricultural chemicals ChEBI agrochemicals ChEBI A fertilizer is any substance that is added to soil or water to assist the growth of plants. chebi_ontology fertiliser fertilizers CHEBI:33287 fertilizer fertiliser ChEBI fertilizers ChEBI An energy-rich substance that can be transformed with release of usable energy. chebi_ontology CHEBI:33292 fuel A molecular entity containing one or more atoms of an alkali metal. chebi_ontology alkali metal molecular entities CHEBI:33296 alkali metal molecular entity alkali metal molecular entities ChEBI Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. pnictogens chebi_ontology group 15 elements group V elements nitrogenoideos nitrogenoides pnictogene pnictogenes CHEBI:33300 pnictogen pnictogens IUPAC group 15 elements ChEBI group V elements ChEBI nitrogenoideos ChEBI nitrogenoides ChEBI pnictogene ChEBI pnictogenes ChEBI A p-block molecular entity containing any pnictogen. pnictogen molecular entity chebi_ontology pnictogen molecular entities CHEBI:33302 pnictogen molecular entity pnictogen molecular entity ChEBI pnictogen molecular entities ChEBI Any p-block element belonging to the group 16 family of the periodic table. PMID:17084588 chalcogen chalcogens chebi_ontology Chalkogen Chalkogene anfigeno anfigenos calcogeno calcogenos chalcogene chalcogenes group 16 elements group VI elements CHEBI:33303 chalcogen PMID:17084588 Europe PMC chalcogen IUPAC chalcogens IUPAC Chalkogen ChEBI Chalkogene ChEBI anfigeno ChEBI anfigenos ChEBI calcogeno ChEBI calcogenos ChEBI chalcogene ChEBI chalcogenes ChEBI group 16 elements ChEBI group VI elements ChEBI Any p-block molecular entity containing a chalcogen. chalcogen molecular entity chebi_ontology chalcogen compounds chalcogen molecular entities CHEBI:33304 chalcogen molecular entity chalcogen molecular entity ChEBI chalcogen compounds ChEBI chalcogen molecular entities ChEBI group 14 elements chebi_ontology carbon group element carbon group elements carbonoides cristallogene cristallogenes group IV elements CHEBI:33306 carbon group element atom group 14 elements IUPAC carbon group element ChEBI carbon group elements ChEBI carbonoides ChEBI cristallogene ChEBI cristallogenes ChEBI group IV elements ChEBI An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl. 0 CO2R2 44.010 43.98983 [*]C(=O)O[*] CHEBI:13204 CHEBI:23028 CHEBI:3408 KEGG:C02391 Wikipedia:Ester Carboxylic ester carboxylic esters chebi_ontology a carboxylic ester carboxylic acid esters CHEBI:33308 carboxylic ester Carboxylic ester KEGG_COMPOUND carboxylic esters IUPAC a carboxylic ester UniProt carboxylic acid esters ChEBI An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. main group elements chebi_ontology Hauptgruppenelement Hauptgruppenelemente main group element CHEBI:33318 main group element atom main group elements IUPAC Hauptgruppenelement ChEBI Hauptgruppenelemente ChEBI main group element ChEBI A group derived from an arene by removal of a hydrogen atom from a ring carbon atom. aryl groups chebi_ontology Arylgruppe groupe aryle grupos arilo CHEBI:33338 aryl group aryl groups IUPAC Arylgruppe ChEBI groupe aryle IUPAC grupos arilo IUPAC group 12 elements chebi_ontology zinc group element zinc group elements CHEBI:33340 zinc group element atom group 12 elements IUPAC zinc group element ChEBI zinc group elements ChEBI group 7 elements chebi_ontology manganese group element manganese group elements CHEBI:33352 manganese group element atom group 7 elements IUPAC manganese group element ChEBI manganese group elements ChEBI group 11 elements chebi_ontology coinage metals copper group element copper group elements CHEBI:33366 copper group element atom group 11 elements IUPAC coinage metals ChEBI copper group element ChEBI copper group elements ChEBI chebi_ontology oxoacids of sulfur sulfur oxoacids CHEBI:33402 sulfur oxoacid oxoacids of sulfur ChEBI sulfur oxoacids ChEBI A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). hydracid chebi_ontology hydracids CHEBI:33405 hydracid hydracid IUPAC hydracids ChEBI chebi_ontology pnictogen oxoacids CHEBI:33408 pnictogen oxoacid pnictogen oxoacids ChEBI sulfur oxoacid derivative chebi_ontology sulfur oxoacid derivatives CHEBI:33424 sulfur oxoacid derivative sulfur oxoacid derivative ChEBI sulfur oxoacid derivatives ChEBI -1 0.00000 [*-] chebi_ontology monoatomic monoanions CHEBI:33429 monoatomic monoanion monoatomic monoanions ChEBI chebi_ontology CHEBI:33431 elemental chlorine 0 Cl 35.453 34.96885 chebi_ontology atomic chlorine CHEBI:33432 monoatomic chlorine atomic chlorine ChEBI chebi_ontology monoatomic halogens CHEBI:33433 monoatomic halogen monoatomic halogens ChEBI elemental halogen chebi_ontology elemental halogens CHEBI:33434 elemental halogen elemental halogen ChEBI elemental halogens ChEBI Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid. CHEBI:15132 CHEBI:25406 CHEBI:26086 CHEBI:9320 KEGG:C00934 PMID:18186488 phospho sugar chebi_ontology monosaccharide phosphates phospho sugars phosphorylated sugar phosphorylated sugars phosphosugar phosphosugars CHEBI:33447 phospho sugar PMID:18186488 Europe PMC phospho sugar ChEBI monosaccharide phosphates ChEBI phospho sugars ChEBI phosphorylated sugar ChEBI phosphorylated sugars ChEBI phosphosugar ChEBI phosphosugars ChEBI A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons. phosphorus oxoacid chebi_ontology Oxosaeure des Phosphors oxoacids of phosphorus phosphorus oxoacids CHEBI:33457 phosphorus oxoacid phosphorus oxoacid ChEBI Oxosaeure des Phosphors ChEBI oxoacids of phosphorus ChEBI phosphorus oxoacids ChEBI pnictogen oxoanion chebi_ontology pnictogen oxoanions CHEBI:33459 pnictogen oxoanion pnictogen oxoanion ChEBI pnictogen oxoanions ChEBI phosphorus oxoanion chebi_ontology oxoanions of phosphorus phosphorus oxoanions CHEBI:33461 phosphorus oxoanion phosphorus oxoanion ChEBI oxoanions of phosphorus ChEBI phosphorus oxoanions ChEBI A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid. -1 H2O3P InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1 ABLZXFCXXLZCGV-UHFFFAOYSA-M 80.987 80.97470 [H]P([O-])(O[H])=O PDBeChem:78T hydridohydroxidodioxidophosphate(1-) hydrogen phosphonate chebi_ontology [PHO2(OH)](-) hydrogenphosphonate CHEBI:33462 phosphonate(1-) hydridohydroxidodioxidophosphate(1-) IUPAC hydrogen phosphonate IUPAC [PHO2(OH)](-) IUPAC hydrogenphosphonate IUPAC elemental pnictogen chebi_ontology elemental pnictogens CHEBI:33465 elemental pnictogen elemental pnictogen ChEBI elemental pnictogens ChEBI sulfur oxoanion chebi_ontology oxoanions of sulfur sulfur oxoanions CHEBI:33482 sulfur oxoanion sulfur oxoanion ChEBI oxoanions of sulfur ChEBI sulfur oxoanions ChEBI chalcogen oxoacid chebi_ontology chalcogen oxoacids CHEBI:33484 chalcogen oxoacid chalcogen oxoacid ChEBI chalcogen oxoacids ChEBI chalcogen oxoanion chebi_ontology chalcogen oxoanions CHEBI:33485 chalcogen oxoanion chalcogen oxoanion ChEBI chalcogen oxoanions ChEBI A molecular entity containing one or more atoms of a transition element. chebi_ontology transition element molecular entities transition metal molecular entity CHEBI:33497 transition element molecular entity transition element molecular entities ChEBI transition metal molecular entity ChEBI chebi_ontology alkali metal cations CHEBI:33504 alkali metal cation alkali metal cations ChEBI chebi_ontology transition element cations transition metal cation CHEBI:33515 transition element cation transition element cations ChEBI transition metal cation ChEBI An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity. CHEBI:25217 CHEBI:6788 KEGG:C00050 PMID:21784043 Wikipedia:Metal chebi_ontology elemental metal elemental metals metal element metal elements metals CHEBI:33521 metal atom PMID:21784043 Europe PMC elemental metal ChEBI elemental metals ChEBI metal element ChEBI metal elements ChEBI metals ChEBI sulfur hydride chebi_ontology hydrides of sulfur sulfur hydrides sulphur hydrides CHEBI:33535 sulfur hydride sulfur hydride ChEBI hydrides of sulfur ChEBI sulfur hydrides ChEBI sulphur hydrides ChEBI The sulfur oxoanion formed by deprotonation of sulfonic acid. -1 HO3S InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1 BDHFUVZGWQCTTF-UHFFFAOYSA-M 81.07214 80.96519 [H]S([O-])(=O)=O Gmelin:971569 hydridotrioxidosulfate(1-) chebi_ontology SHO3(-) [SHO3](-) sulfonates CHEBI:33543 sulfonate Gmelin:971569 Gmelin hydridotrioxidosulfate(1-) IUPAC SHO3(-) IUPAC [SHO3](-) IUPAC sulfonates ChEBI An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon. 0 HO3SR 81.07100 80.96464 OS([*])(=O)=O chebi_ontology organosulfonic acids sulfonic acids CHEBI:33551 organosulfonic acid organosulfonic acids ChEBI sulfonic acids ChEBI sulfonic acid derivative chebi_ontology derivatives of sulfonic acid sulfonic acid derivatives CHEBI:33552 sulfonic acid derivative sulfonic acid derivative ChEBI derivatives of sulfonic acid ChEBI sulfonic acid derivatives ChEBI An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid. -1 O3SR 80.064 79.95681 *S([O-])(=O)=O chebi_ontology organosulfonate organosulfonate oxoanions organosulfonates CHEBI:33554 organosulfonate oxoanion organosulfonate ChEBI organosulfonate oxoanions ChEBI organosulfonates ChEBI Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an aryl group. chebi_ontology arenesulfonic acids arylsulfonic acid arylsulfonic acids CHEBI:33555 arenesulfonic acid arenesulfonic acids ChEBI arylsulfonic acid ChEBI arylsulfonic acids ChEBI An amino-acid anion obtained by deprotonation of any alpha-amino acid. alpha-amino-acid anion chebi_ontology alpha-amino acid anions alpha-amino-acid anions CHEBI:33558 alpha-amino-acid anion alpha-amino-acid anion ChEBI alpha-amino acid anions ChEBI alpha-amino-acid anions ChEBI chebi_ontology s-block element s-block elements CHEBI:33559 s-block element atom s-block element ChEBI s-block elements ChEBI Any main group element atom belonging to the p-block of the periodic table. chebi_ontology p-block element p-block elements CHEBI:33560 p-block element atom p-block element ChEBI p-block elements ChEBI chebi_ontology d-block element d-block elements CHEBI:33561 d-block element atom d-block element ChEBI d-block elements ChEBI CHEBI:22705 CHEBI:22711 chebi_ontology CHEBI:33570 benzenediols Any benzenediol in which the two hydroxy groups are meta to one another. chebi_ontology CHEBI:33572 resorcinols A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid. 0 CHO2R 45.017 45.01740 44.99765 OC([*])=O CHEBI:13428 CHEBI:13627 CHEBI:23027 PMID:17147560 PMID:18433345 Wikipedia:Carboxylic_acid carboxylic acid carboxylic acids chebi_ontology Carbonsaeure Carbonsaeuren Karbonsaeure RC(=O)OH acide carboxylique acides carboxyliques acido carboxilico acidos carboxilicos CHEBI:33575 carboxylic acid PMID:17147560 Europe PMC PMID:18433345 Europe PMC carboxylic acid IUPAC carboxylic acids IUPAC Carbonsaeure ChEBI Carbonsaeuren ChEBI Karbonsaeure ChEBI RC(=O)OH IUPAC acide carboxylique IUPAC acides carboxyliques IUPAC acido carboxilico IUPAC acidos carboxilicos IUPAC A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. chebi_ontology main group compounds main group molecular entities CHEBI:33579 main group molecular entity main group compounds ChEBI main group molecular entities ChEBI carbon group molecular entity chebi_ontology carbon group molecular entities CHEBI:33582 carbon group molecular entity carbon group molecular entity ChEBI carbon group molecular entities ChEBI Any molecule that consists of a series of atoms joined together to form a ring. Wikipedia:Cyclic_compound chebi_ontology cyclic compounds CHEBI:33595 cyclic compound cyclic compounds ChEBI A cyclic compound having as ring members atoms of the same element only. homocyclic compound homocyclic compounds chebi_ontology isocyclic compounds CHEBI:33597 homocyclic compound homocyclic compound IUPAC homocyclic compounds IUPAC isocyclic compounds IUPAC A homocyclic compound in which all of the ring members are carbon atoms. carbocyclic compound carbocyclic compounds chebi_ontology carbocycle CHEBI:33598 carbocyclic compound carbocyclic compound IUPAC carbocyclic compounds IUPAC carbocycle ChEBI A compound having one atom as the only common member of two rings. spiro compound spiro compounds chebi_ontology spiro-fused compounds spirocycle spirocycles spirocyclic compound spirocyclic compounds spirofused compounds CHEBI:33599 spiro compound spiro compound IUPAC spiro compounds IUPAC spiro-fused compounds IUPAC spirocycle ChEBI spirocycles ChEBI spirocyclic compound ChEBI spirocyclic compounds ChEBI spirofused compounds ChEBI chebi_ontology hydrogen compounds hydrogen molecular entities CHEBI:33608 hydrogen molecular entity hydrogen compounds ChEBI hydrogen molecular entities ChEBI chebi_ontology polycyclic compounds CHEBI:33635 polycyclic compound polycyclic compounds ChEBI A molecule that features two fused rings. chebi_ontology bicyclic compounds CHEBI:33636 bicyclic compound bicyclic compounds ChEBI A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms. ortho-fused polycyclic compounds chebi_ontology ortho-fused compounds CHEBI:33637 ortho-fused compound ortho-fused polycyclic compounds IUPAC ortho-fused compounds ChEBI Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes. olefin olefins chebi_ontology olefins CHEBI:33641 olefin olefin IUPAC olefins IUPAC olefins ChEBI Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds. aliphatic compounds chebi_ontology CHEBI:33653 aliphatic compound aliphatic compounds IUPAC A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character. aromatic compounds aromatic molecular entity chebi_ontology aromatics aromatische Verbindungen CHEBI:33655 aromatic compound aromatic compounds IUPAC aromatic molecular entity IUPAC aromatics ChEBI aromatische Verbindungen ChEBI Any monocyclic or polycyclic aromatic hydrocarbon. arene arenes chebi_ontology aromatic hydrocarbons CHEBI:33658 arene arene IUPAC arenes IUPAC aromatic hydrocarbons IUPAC chebi_ontology organic aromatic compounds CHEBI:33659 organic aromatic compound organic aromatic compounds ChEBI chebi_ontology monocyclic compounds CHEBI:33661 monocyclic compound monocyclic compounds ChEBI A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms. annulene annulenes chebi_ontology CHEBI:33662 annulene annulene IUPAC annulenes IUPAC cyclic hydrocarbon chebi_ontology cyclic hydrocarbons CHEBI:33663 cyclic hydrocarbon cyclic hydrocarbon ChEBI cyclic hydrocarbons ChEBI monocyclic hydrocarbon monocyclic hydrocarbons chebi_ontology monocyclic hydrocarbons CHEBI:33664 monocyclic hydrocarbon monocyclic hydrocarbon ChEBI monocyclic hydrocarbons IUPAC monocyclic hydrocarbons ChEBI polycyclic hydrocarbon polycyclic hydrocarbons chebi_ontology CHEBI:33666 polycyclic hydrocarbon polycyclic hydrocarbon IUPAC polycyclic hydrocarbons IUPAC heteromonocyclic compound heteromonocyclic compounds chebi_ontology CHEBI:33670 heteromonocyclic compound heteromonocyclic compound IUPAC heteromonocyclic compounds IUPAC A polycyclic compound in which at least one of the rings contains at least one non-carbon atom. heteropolycyclic compounds chebi_ontology polyheterocyclic compounds CHEBI:33671 heteropolycyclic compound heteropolycyclic compounds IUPAC polyheterocyclic compounds ChEBI A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom. heterobicyclic compounds chebi_ontology CHEBI:33672 heterobicyclic compound heterobicyclic compounds IUPAC chebi_ontology zinc group molecular entities CHEBI:33673 zinc group molecular entity zinc group molecular entities ChEBI An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element. s-block molecular entity chebi_ontology s-block compounds s-block molecular entities CHEBI:33674 s-block molecular entity s-block molecular entity ChEBI s-block compounds ChEBI s-block molecular entities ChEBI A main group molecular entity that contains one or more atoms of a p-block element. chebi_ontology p-block compounds p-block molecular entities p-block molecular entitiy CHEBI:33675 p-block molecular entity p-block compounds ChEBI p-block molecular entities ChEBI p-block molecular entitiy ChEBI A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element. d-block molecular entity chebi_ontology d-block compounds d-block molecular entities CHEBI:33676 d-block molecular entity d-block molecular entity ChEBI d-block compounds ChEBI d-block molecular entities ChEBI Hydrides are chemical compounds of hydrogen with other chemical elements. chebi_ontology CHEBI:33692 hydrides oxygen hydride chebi_ontology hydrides of oxygen oxygen hydrides CHEBI:33693 oxygen hydride oxygen hydride ChEBI hydrides of oxygen ChEBI oxygen hydrides ChEBI A macromolecule formed by a living organism. biopolymer chebi_ontology Biopolymere biomacromolecules biopolymers CHEBI:33694 biomacromolecule biopolymer IUPAC Biopolymere ChEBI biomacromolecules ChEBI biopolymers ChEBI chebi_ontology genetically encoded biomacromolecules genetically encoded biopolymers information biomacromolecules information biopolymers information macromolecule information macromolecules CHEBI:33695 information biomacromolecule genetically encoded biomacromolecules ChEBI genetically encoded biopolymers ChEBI information biomacromolecules ChEBI information biopolymers ChEBI information macromolecule ChEBI information macromolecules ChEBI A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid. nucleic acids chebi_ontology NA Nukleinsaeure Nukleinsaeuren acide nucleique acides nucleiques acido nucleico acidos nucleicos CHEBI:33696 nucleic acid nucleic acids IUPAC NA ChEBI Nukleinsaeure ChEBI Nukleinsaeuren ChEBI acide nucleique ChEBI acides nucleiques ChEBI acido nucleico ChEBI acidos nucleicos ChEBI High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins. CAS:63231-63-0 ribonucleic acid ribonucleic acids chebi_ontology RNA RNS Ribonukleinsaeure pentosenucleic acids ribonucleic acids ribose nucleic acid yeast nucleic acid CHEBI:33697 ribonucleic acid CAS:63231-63-0 ChemIDplus ribonucleic acid IUPAC ribonucleic acids IUPAC RNA IUPAC RNA UniProt RNS ChEBI Ribonukleinsaeure ChEBI pentosenucleic acids ChemIDplus ribonucleic acids ChEBI ribose nucleic acid ChEBI yeast nucleic acid ChEBI chebi_ontology canonical amino-acid residue canonical amino-acid residues common amino acid residues proteinogenic amino-acid residues standard amino acid residues standard amino-acid residues CHEBI:33700 proteinogenic amino-acid residue canonical amino-acid residue ChEBI canonical amino-acid residues ChEBI common amino acid residues ChEBI proteinogenic amino-acid residues ChEBI standard amino acid residues ChEBI standard amino-acid residues ChEBI A cation consisting of more than one atom. chebi_ontology polyatomic cations CHEBI:33702 polyatomic cation polyatomic cations ChEBI amino-acid cation chebi_ontology amino acid cation amino-acid cations CHEBI:33703 amino-acid cation amino-acid cation ChEBI amino acid cation ChEBI amino-acid cations ChEBI An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group. 0 C2H4NO2R 74.05870 74.02420 NC([*])C(O)=O CHEBI:10208 CHEBI:13779 CHEBI:22442 CHEBI:2642 KEGG:C00045 KEGG:C05167 alpha-amino acid chebi_ontology Amino acid Amino acids alpha-amino acids alpha-amino carboxylic acids CHEBI:33704 alpha-amino acid alpha-amino acid IUPAC Amino acid KEGG_COMPOUND Amino acids KEGG_COMPOUND alpha-amino acids ChEBI alpha-amino acids JCBN alpha-amino carboxylic acids IUPAC When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue. amino-acid residue chebi_ontology amino acid residue amino-acid residues CHEBI:33708 amino-acid residue amino-acid residue IUPAC amino acid residue ChEBI amino-acid residues JCBN A carboxylic acid containing one or more amino groups. CHEBI:13815 CHEBI:22477 Wikipedia:Amino_acid chebi_ontology Aminocarbonsaeure Aminokarbonsaeure Aminosaeure amino acids CHEBI:33709 amino acid Aminocarbonsaeure ChEBI Aminokarbonsaeure ChEBI Aminosaeure ChEBI amino acids ChEBI 0 C25H43N14O7R 522.519 522.24113 NC1NC(CC=N1)[C@@H]1NC(=O)\C(NC(=O)[C@@H](CN[*])NC(=O)[C@@H](C[*])NC(=O)[C@@H](N)CNC1=O)=C\NC(N)=O CAS:11003-38-6 KEGG:C01790 KEGG:D07607 Capreomycin chebi_ontology capreomycins CHEBI:3371 capreomycin CAS:11003-38-6 KEGG COMPOUND Capreomycin KEGG_COMPOUND capreomycins ChEBI An amino-acid residue derived from an alpha-amino acid. 0 C2H2NOR 56.043 56.01364 *-NC([*])C(-*)=O chebi_ontology alpha-amino-acid residues an alpha-amino acid residue CHEBI:33710 alpha-amino-acid residue alpha-amino-acid residues ChEBI an alpha-amino acid residue UniProt alpha-amino-acid cation chebi_ontology alpha-amino acid cations alpha-amino-acid cations CHEBI:33719 alpha-amino-acid cation alpha-amino-acid cation ChEBI alpha-amino acid cations ChEBI alpha-amino-acid cations ChEBI manganese group molecular entity chebi_ontology manganese group molecular entities CHEBI:33743 manganese group molecular entity manganese group molecular entity ChEBI manganese group molecular entities ChEBI copper group molecular entity chebi_ontology copper group molecular entities CHEBI:33745 copper group molecular entity copper group molecular entity ChEBI copper group molecular entities ChEBI chebi_ontology canonical nucleoside residues common nucleoside residues nucleoside residue standard nucleoside residues CHEBI:33791 canonical nucleoside residue canonical nucleoside residues ChEBI common nucleoside residues CBN nucleoside residue CBN standard nucleoside residues ChEBI chebi_ontology N Nuc canonical ribonucleoside residues common ribonucleoside residue common ribonucleoside residues standard ribonucleoside residues CHEBI:33792 canonical ribonucleoside residue N CBN Nuc CBN canonical ribonucleoside residues ChEBI common ribonucleoside residue CBN common ribonucleoside residues CBN standard ribonucleoside residues ChEBI An organic compound having at least one hydroxy group attached to a carbon atom. CHEBI:64710 hydroxy compounds chebi_ontology organic alcohol organic hydroxy compounds CHEBI:33822 organic hydroxy compound hydroxy compounds IUPAC organic alcohol ChEBI organic hydroxy compounds ChEBI Any organic molecule that consists of atoms connected in the form of a ring. chebi_ontology organic cyclic compounds CHEBI:33832 organic cyclic compound organic cyclic compounds ChEBI A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2). heteroarenes chebi_ontology hetarenes CHEBI:33833 heteroarene heteroarenes IUPAC hetarenes IUPAC chebi_ontology benzenoid aromatic compounds benzenoid compound CHEBI:33836 benzenoid aromatic compound benzenoid aromatic compounds ChEBI benzenoid compound ChEBI An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents. 0 C5H8O3R2 116.115 116.04734 [C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO CHEBI:13661 CHEBI:25611 CHEBI:7647 KEGG:C00801 Wikipedia:Nucleoside Nucleoside nucleosides chebi_ontology a nucleoside nucleosides CHEBI:33838 nucleoside Nucleoside KEGG_COMPOUND nucleosides IUPAC a nucleoside UniProt nucleosides ChEBI A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. Wikipedia:Macromolecule macromolecule chebi_ontology macromolecules polymer polymer molecule polymers CHEBI:33839 macromolecule macromolecule IUPAC macromolecules ChEBI polymer ChEBI polymer molecule IUPAC polymers ChEBI chebi_ontology aromatic annulenes CHEBI:33842 aromatic annulene aromatic annulenes ChEBI A monocyclic aromatic hydrocarbon. chebi_ontology monocyclic arenes CHEBI:33847 monocyclic arene monocyclic arenes ChEBI A polycyclic aromatic hydrocarbon. PMID:15198916 PMID:25679824 Wikipedia:Polycyclic_aromatic_hydrocarbon chebi_ontology PAH PAHs polycyclic arenes polycyclic aromatic hydrocarbons CHEBI:33848 polycyclic arene PMID:15198916 Europe PMC PMID:25679824 Europe PMC PAH ChEBI PAHs ChEBI polycyclic arenes ChEBI polycyclic aromatic hydrocarbons ChEBI Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. 0 C6HOR5 89.072 89.00274 C1(=C(C(=C(C(=C1*)*)*)*)*)O CHEBI:13664 CHEBI:13825 CHEBI:25969 CHEBI:2857 KEGG:C15584 MetaCyc:Phenols Wikipedia:Phenols phenols chebi_ontology Aryl alcohol a phenol arenols CHEBI:33853 phenols phenols IUPAC Aryl alcohol KEGG_COMPOUND a phenol UniProt arenols IUPAC An amino acid whose structure includes an aromatic ring. 0 C2H4NO2R 88.085 74.02420 CHEBI:13820 CHEBI:22623 CHEBI:2835 KEGG:C01021 Wikipedia:Aromatic_amino_acid Aromatic amino acid chebi_ontology aromatic amino acids CHEBI:33856 aromatic amino acid Aromatic amino acid KEGG_COMPOUND aromatic amino acids ChEBI Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. CHEBI:13817 CHEBI:13821 CHEBI:2830 chebi_ontology aromatic carboxylic acids CHEBI:33859 aromatic carboxylic acid aromatic carboxylic acids ChEBI An amino compound in which the amino group is linked directly to an aromatic system. CHEBI:13827 CHEBI:22622 CHEBI:22646 CHEBI:2834 CHEBI:2863 chebi_ontology aromatic amines aryl amine aryl amines arylamine arylamines CHEBI:33860 aromatic amine aromatic amines ChEBI aryl amine ChEBI aryl amines ChEBI arylamine ChEBI arylamines ChEBI chebi_ontology transition element coordination entities transition metal coordination compounds transition metal coordination entities CHEBI:33861 transition element coordination entity transition element coordination entities ChEBI transition metal coordination compounds ChEBI transition metal coordination entities ChEBI A substance used in a chemical reaction to detect, measure, examine, or produce other substances. reagent chebi_ontology reactif reactivo reagents CHEBI:33893 reagent reagent IUPAC reactif IUPAC reactivo IUPAC reagents ChEBI A hexose with a (potential) aldehyde group at one end. CHEBI:2558 aldohexose chebi_ontology aldohexoses CHEBI:33917 aldohexose aldohexose ChEBI aldohexoses ChEBI A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. 0 C9H9N3O2 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N 191.18670 191.06948 COC(=O)Nc1nc2ccccc2[nH]1 CAS:10605-21-7 HMDB:HMDB0031769 KEGG:C10897 PMID:20833408 PMID:21315898 PMID:22077925 PMID:22903170 PPDB:116 Patent:US3010968 Pesticides:carbendazim Reaxys:649044 Wikipedia:Carbendazim Carbendazim carbendazim methyl 1H-benzimidazol-2-ylcarbamate chebi_ontology 1H-benzimidazol-2-ylcarbamic acid methyl ester 2-(Methoxy-carbonylamino)-benzimidazol 2-(methoxycarbonylamino)-benzimidazole 2-(methoxycarbonylamino)benzimidazole 2-benzimidazolecarbamic acid methyl ester BMC MBC Mecarzole carbendazime methyl 2-benzimidazolecarbamate methyl benzimidazol-2-ylcarbamate CHEBI:3392 carbendazim CAS:10605-21-7 ChemIDplus CAS:10605-21-7 KEGG COMPOUND PMID:20833408 Europe PMC PMID:21315898 Europe PMC PMID:22077925 Europe PMC PMID:22903170 Europe PMC Pesticides:carbendazim Alan Wood's Pesticides Reaxys:649044 Reaxys Carbendazim KEGG_COMPOUND carbendazim UniProt methyl 1H-benzimidazol-2-ylcarbamate IUPAC 1H-benzimidazol-2-ylcarbamic acid methyl ester ChEBI 2-(Methoxy-carbonylamino)-benzimidazol ChemIDplus 2-(methoxycarbonylamino)-benzimidazole ChemIDplus 2-(methoxycarbonylamino)benzimidazole ChEBI 2-benzimidazolecarbamic acid methyl ester ChEBI BMC ChEBI MBC ChEBI Mecarzole KEGG_COMPOUND carbendazime ChemIDplus methyl 2-benzimidazolecarbamate ChemIDplus methyl benzimidazol-2-ylcarbamate ChemIDplus A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain. 0 C17H18N2O6S InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1 FPPNZSSZRUTDAP-UWFZAAFLSA-N 378.40070 378.08856 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)c1ccccc1)C(O)=O Beilstein:1230663 CAS:4697-36-3 DrugBank:DB00578 Drug_Central:492 HMDB:HMDB0014717 KEGG:C06869 KEGG:D07614 PMID:12569987 PMID:22648337 PMID:6176550 Patent:US3142673 Reaxys:1230663 Wikipedia:Carbenicillin 6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid chebi_ontology (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CBPC N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid alpha-carboxybenzylpencillin alpha-phenyl(carboxymethylpenicillin) carbenicilina carbenicillin carbenicilline carbenicillinum carboxybenzylpenicillin CHEBI:3393 carbenicillin Beilstein:1230663 Beilstein CAS:4697-36-3 ChemIDplus CAS:4697-36-3 KEGG COMPOUND Drug_Central:492 DrugCentral PMID:12569987 Europe PMC PMID:22648337 Europe PMC PMID:6176550 Europe PMC Reaxys:1230663 Reaxys 6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid IUPAC (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC CBPC ChEBI N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid ChemIDplus alpha-carboxybenzylpencillin ChemIDplus alpha-phenyl(carboxymethylpenicillin) ChemIDplus carbenicilina DrugBank carbenicillin KEGG_DRUG carbenicilline DrugBank carbenicillinum DrugBank carboxybenzylpenicillin DrugBank Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals. chebi_ontology macronutrients CHEBI:33937 macronutrient macronutrients ChEBI chebi_ontology halide salts halides CHEBI:33958 halide salt halide salts ChEBI halides ChEBI A phenylenediamine in which the two amino groups are ortho to each other. 0 C6H8N2 InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2 GEYOCULIXLDCMW-UHFFFAOYSA-N 108.14120 108.06875 Nc1ccccc1N Beilstein:606074 CAS:95-54-5 KEGG:C14402 PMID:23099167 PMID:23172354 PMID:23220522 PMID:23232561 PMID:23245188 PMID:23317160 PMID:23323634 PMID:23364618 PMID:23452313 PMID:2420897 PMID:9025914 Reaxys:606074 Wikipedia:O-Phenylenediamine benzene-1,2-diamine chebi_ontology 1,2-Diaminobenzene 2-Aminoaniline 2-Phenylene diamine OPDA o-Phenylenediamine phenylene-1,2-dimaine CHEBI:34043 1,2-phenylenediamine Beilstein:606074 Beilstein CAS:95-54-5 ChemIDplus CAS:95-54-5 KEGG COMPOUND CAS:95-54-5 NIST Chemistry WebBook PMID:23099167 Europe PMC PMID:23172354 Europe PMC PMID:23220522 Europe PMC PMID:23232561 Europe PMC PMID:23245188 Europe PMC PMID:23317160 Europe PMC PMID:23323634 Europe PMC PMID:23364618 Europe PMC PMID:23452313 Europe PMC PMID:2420897 Europe PMC PMID:9025914 Europe PMC Reaxys:606074 Reaxys benzene-1,2-diamine IUPAC 1,2-Diaminobenzene KEGG_COMPOUND 2-Aminoaniline ChemIDplus 2-Phenylene diamine KEGG_COMPOUND OPDA ChemIDplus o-Phenylenediamine KEGG_COMPOUND phenylene-1,2-dimaine ChEBI An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. 0 C12H13NO2S InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) GYSSRZJIHXQEHQ-UHFFFAOYSA-N 235.300 235.06670 CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Beilstein:983249 CAS:5234-68-4 KEGG:C11255 LINCS:LSM-25660 MetaCyc:CPD0-1366 PDBeChem:CBE PMID:21228470 PMID:23047320 PMID:23261124 PMID:24119086 PMID:24785712 PMID:30724184 PMID:34065659 PMID:35182799 PMID:5386172 PMID:5487095 PMID:974232 PPDB:122 Patent:EP0042182 Pesticides:carboxin Reaxys:983249 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide chebi_ontology 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin Carbathiin Carboxine oxatin CHEBI:3405 carboxin Beilstein:983249 ChemIDplus CAS:5234-68-4 ChemIDplus CAS:5234-68-4 KEGG COMPOUND CAS:5234-68-4 NIST Chemistry WebBook PMID:21228470 Europe PMC PMID:23047320 Europe PMC PMID:23261124 Europe PMC PMID:24119086 Europe PMC PMID:24785712 Europe PMC PMID:30724184 Europe PMC PMID:34065659 Europe PMC PMID:35182799 Europe PMC PMID:5386172 Europe PMC PMID:5487095 Europe PMC PMID:974232 Europe PMC Pesticides:carboxin Alan Wood's Pesticides Reaxys:983249 Reaxys 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide IUPAC 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin ChemIDplus 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide NIST_Chemistry_WebBook 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin ChemIDplus 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide ChemIDplus 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin ChemIDplus 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide ChemIDplus 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin ChemIDplus Carbathiin ChemIDplus Carboxine ChemIDplus oxatin MetaCyc A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. 0 C9H8Cl3NO2S InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2 LDVVMCZRFWMZSG-UHFFFAOYSA-N 300.58900 298.93413 ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O CAS:133-06-2 KEGG:C14438 PMID:20433167 PMID:20569196 PMID:21121628 PMID:21381057 PMID:21381058 PMID:23692481 PMID:23742211 PMID:6578186 PMID:9530801 PPDB:114 Patent:US2553771 Patent:US2653155 Patent:US2713058 Pesticides:captan Wikipedia:Captan 2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione chebi_ontology 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide 3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione 3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide Amercide Bangton Captab Captadin Captaf Captanex Captex ENT 26,538 Hexacap Kaptan Malipur Merpan N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide N-[(trichloromethyl)thio]tetrahydrophthalimide N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide Neracid Orthocide Osocide SR 406 SR406 Vanicide Venturin Vondcaptan Zenecal captane CHEBI:34608 captan CAS:133-06-2 ChemIDplus CAS:133-06-2 KEGG COMPOUND CAS:133-06-2 NIST Chemistry WebBook PMID:20433167 Europe PMC PMID:20569196 Europe PMC PMID:21121628 Europe PMC PMID:21381057 Europe PMC PMID:21381058 Europe PMC PMID:23692481 Europe PMC PMID:23742211 Europe PMC PMID:6578186 Europe PMC PMID:9530801 Europe PMC Pesticides:captan Alan Wood's Pesticides 2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione IUPAC 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide ChemIDplus 3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione ChemIDplus 3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide ChemIDplus Amercide ChemIDplus Bangton ChemIDplus Captab ChemIDplus Captadin ChemIDplus Captaf ChemIDplus Captanex ChemIDplus Captex ChemIDplus ENT 26,538 ChemIDplus Hexacap ChemIDplus Kaptan ChemIDplus Malipur ChemIDplus Merpan ChemIDplus N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide ChemIDplus N-[(trichloromethyl)thio]tetrahydrophthalimide ChemIDplus N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide ChemIDplus N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide ChemIDplus N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide ChemIDplus Neracid ChemIDplus Orthocide ChemIDplus Osocide ChemIDplus SR 406 ChemIDplus SR406 ChemIDplus Vanicide ChemIDplus Venturin NIST_Chemistry_WebBook Vondcaptan NIST_Chemistry_WebBook Zenecal NIST_Chemistry_WebBook captane ChemIDplus An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. 0 C32H22N6Na2O6S2 C32H22N6O6S2.2Na InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2 IQFVPQOLBLOTPF-UHFFFAOYSA-L 696.667 696.08376 C1=CC(C2=CC=C(N=NC3=CC(=C4C(=C3N)C=CC=C4)S([O-])(=O)=O)C=C2)=CC=C1N=NC5=CC(=C6C(=C5N)C=CC=C6)S([O-])(=O)=O.[Na+].[Na+] Beilstein:3894858 Beilstein:741468 CAS:573-58-0 Gmelin:135213 KEGG:C14078 Congo red disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) chebi_ontology Direct red 28 Kongorot Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate disodium 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-aminonaphthalene-1-sulphonate) CHEBI:34653 Congo Red Beilstein:3894858 Beilstein Beilstein:741468 Beilstein CAS:573-58-0 ChemIDplus CAS:573-58-0 KEGG COMPOUND Gmelin:135213 Gmelin Congo red KEGG_COMPOUND disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) IUPAC Direct red 28 KEGG_COMPOUND Kongorot ChemIDplus Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate KEGG_COMPOUND disodium 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-aminonaphthalene-1-sulphonate) ChemIDplus A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. 0 C15H14ClN3O4S InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1 QYIYFLOTGYLRGG-GPCCPHFNSA-N 367.80700 367.03935 [H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O CHEBI:472656 Beilstein:3632473 CAS:53994-73-3 DrugBank:DB00833 Drug_Central:525 HMDB:HMDB0014971 KEGG:C06877 KEGG:D00256 LINCS:LSM-5368 PMID:10230635 PMID:10930630 PMID:11963587 PMID:12485718 PMID:12569987 PMID:15812119 PMID:18969055 PMID:29017833 Patent:DE2408698 Patent:US3925372 Reaxys:3632473 Wikipedia:Cefaclor (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid Cefaclor cefaclor chebi_ontology 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid CCL Cefaclor anhydrous Cephaclor cefaclorum CHEBI:3478 cefaclor Beilstein:3632473 Beilstein CAS:53994-73-3 ChemIDplus CAS:53994-73-3 DrugBank CAS:53994-73-3 KEGG COMPOUND CAS:53994-73-3 KEGG DRUG Drug_Central:525 DrugCentral PMID:10230635 ChEMBL PMID:10930630 Europe PMC PMID:11963587 Europe PMC PMID:12485718 Europe PMC PMID:12569987 Europe PMC PMID:15812119 Europe PMC PMID:18969055 Europe PMC PMID:29017833 Europe PMC Reaxys:3632473 Reaxys (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC 7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid IUPAC Cefaclor KEGG_COMPOUND cefaclor ChEMBL 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid ChemIDplus CCL KEGG_DRUG Cefaclor anhydrous ChemIDplus Cephaclor ChemIDplus cefaclorum DrugBank A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. 0 C17H17N7O8S4 InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1 SRZNHPXWXCNNDU-IXOPCIAXSA-N 575.61900 575.00215 [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O CHEBI:558729 Beilstein:5697364 CAS:69712-56-7 DrugBank:DB01330 Drug_Central:547 KEGG:C06886 KEGG:D00260 LINCS:LSM-5961 PMID:17664321 PMID:29017833 Patent:DE2824559 Patent:US4263432 Reaxys:5697364 Wikipedia:Cefotetan (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid Cefotetan cefotetan chebi_ontology (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid cefotetan cefotetanum CHEBI:3499 cefotetan Beilstein:5697364 Beilstein CAS:69712-56-7 ChemIDplus CAS:69712-56-7 KEGG COMPOUND Drug_Central:547 DrugCentral PMID:17664321 ChEMBL PMID:29017833 Europe PMC Reaxys:5697364 Reaxys (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid IUPAC Cefotetan KEGG_COMPOUND cefotetan ChEMBL (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid ChemIDplus cefotetan ChemIDplus cefotetanum ChemIDplus Any of the glycopeptides whose structure consists of teicoplanin A3-1 in which the hydroxy group of the di(aryloxy)-substituted phenol moiety has been converted to the corresponding 2-acylamino-2-deoxy-beta-D-glucoside. Members of the class differ only in the nature of the acyl group. 0 C79H78Cl2N9O33R 1752.414 1750.40791 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC([*])=O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O KEGG:C13781 chebi_ontology teicoplanin A2-* CHEBI:34994 teicoplanin A2 teicoplanin A2-* ChEBI A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group. 0 C88H95Cl2N9O33 InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)131-78-75(114)72(111)57(31-100)127-85(78)99-67-55-26-40-27-56(67)126-52-18-14-38(24-47(52)90)77(132-87-68(92-34(2)103)73(112)70(109)58(32-101)129-87)69-84(121)97-66(86(122)123)45-29-42(105)30-54(128-88-76(115)74(113)71(110)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)98-69)95-83(120)65(40)96-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)94-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-66,68-78,85,87-88,99-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,116)(H,95,120)(H,96,119)(H,97,121)(H,98,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62-,63-,64+,65-,66+,68-,69+,70-,71-,72-,73-,74+,75+,76+,77-,78-,85-,87+,88+/m1/s1 SGSMSXWFVXNLOG-UCNABHHISA-N 1877.64200 1875.54093 CCCCC\C=C/CCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Nc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl CAS:91032-34-7 KEGG:C13587 Reaxys:6261779 Teicoplanin A2-1 chebi_ontology (Z)-34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone (Z)-34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone Teichomycin A2 factor 1 CHEBI:34995 teicoplanin A2-1 CAS:91032-34-7 ChemIDplus CAS:91032-34-7 KEGG COMPOUND Reaxys:6261779 Reaxys Teicoplanin A2-1 KEGG_COMPOUND (Z)-34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone ChemIDplus (Z)-34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone ChEBI Teichomycin A2 factor 1 KEGG_COMPOUND A teicoplanin A2 that has decanoyl as the variable N-acyl group. 0 C88H97Cl2N9O33 InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1 BJNLLBUOHPVGFT-PKMGYIMSSA-N 1879.65800 1877.55658 CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl CAS:91032-36-9 KEGG:C13588 Reaxys:6995259 Teicoplanin A2-3 chebi_ontology 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone Teichomycin A2 factor 3 CHEBI:34996 teicoplanin A2-3 CAS:91032-36-9 ChemIDplus CAS:91032-36-9 KEGG COMPOUND Reaxys:6995259 Reaxys Teicoplanin A2-3 KEGG_COMPOUND 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone ChemIDplus 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone ChEBI Teichomycin A2 factor 3 KEGG_COMPOUND A teicoplanin A2 that has 8-methyldecanoyl as the variable N-acyl group. 0 C89H99Cl2N9O33 InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1 KSPOYQQCANXEDC-WNTLLCOUSA-N 1893.68500 1891.57223 CCC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl CAS:91032-37-0 KEGG:C13610 Reaxys:6261978 Teicoplanin A2-4 chebi_ontology 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone Teichomycin A2 factor 4 CHEBI:34997 teicoplanin A2-4 CAS:91032-37-0 ChemIDplus CAS:91032-37-0 KEGG COMPOUND Reaxys:6261978 Reaxys Teicoplanin A2-4 KEGG_COMPOUND 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone ChemIDplus 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone ChEBI Teichomycin A2 factor 4 KEGG_COMPOUND A teicoplanin A2 that has 9-methyldecanoyl as the variable N-acyl group. 0 C89H99Cl2N9O33 InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1 FHBQKTSCJKPYIO-RLDSMAAISA-N 1893.68500 1891.57223 CC(C)CCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl CAS:91032-38-1 KEGG:C13612 Reaxys:6995322 Reaxys:7509352 Teicoplanin A2-5 chebi_ontology 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone Teichomycin A2 factor 5 CHEBI:34998 teicoplanin A2-5 CAS:91032-38-1 ChemIDplus CAS:91032-38-1 KEGG COMPOUND Reaxys:6995322 Reaxys Reaxys:7509352 Reaxys Teicoplanin A2-5 KEGG_COMPOUND 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone ChemIDplus 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone ChEBI Teichomycin A2 factor 5 KEGG_COMPOUND A glycopeptide consisting of a macropolycyclic heptapeptide in which a phenolic hydroxy group has been converted to its alpha-D-mannoside while a secondary alcohol group has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucoside. 0 C72H68Cl2N8O28 InChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54+,55-,56+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1 SUFIXUDUKRJOBH-JSMFNTJWSA-N 1564.25300 1562.35201 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O CAS:93616-27-4 KEGG:C13613 PMID:1416858 Reaxys:6267420 Teicoplanin A3-1 chebi_ontology 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone CHEBI:34999 teicoplanin A3-1 CAS:93616-27-4 ChemIDplus CAS:93616-27-4 KEGG COMPOUND PMID:1416858 Europe PMC Reaxys:6267420 Reaxys Teicoplanin A3-1 KEGG_COMPOUND 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone ChemIDplus 34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone ChEBI A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. 0 C12H14N4O4S2 InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) QGHREAKMXXNCOA-UHFFFAOYSA-N 342.39400 342.04565 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC CAS:23564-05-8 KEGG:C14432 PMID:22057426 PMID:22667099 PMID:23242258 PMID:23775824 PMID:23978278 PMID:24256946 PMID:24366405 PPDB:640 Pesticides:thiophanate-methyl Reaxys:937942 dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate chebi_ontology 1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene 1,2-Bis(methoxycarbonylthioureido)benzene 1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene Methyl thiophanate Methylthiofanate Methylthiophanate dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate) dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate] o-Bis(3-methoxycarbonyl-2-thioureido)benzene CHEBI:35014 thiophanate-methyl CAS:23564-05-8 ChemIDplus CAS:23564-05-8 KEGG COMPOUND PMID:22057426 Europe PMC PMID:22667099 Europe PMC PMID:23242258 Europe PMC PMID:23775824 Europe PMC PMID:23978278 Europe PMC PMID:24256946 Europe PMC PMID:24366405 Europe PMC Pesticides:thiophanate-methyl Alan Wood's Pesticides Reaxys:937942 Reaxys dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate IUPAC 1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene ChemIDplus 1,2-Bis(methoxycarbonylthioureido)benzene ChemIDplus 1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene ChemIDplus 1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene KEGG_COMPOUND Methyl thiophanate ChemIDplus Methylthiofanate ChemIDplus Methylthiophanate ChemIDplus dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate) Alan_Wood's_Pesticides dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate Alan_Wood's_Pesticides dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate] Alan_Wood's_Pesticides o-Bis(3-methoxycarbonyl-2-thioureido)benzene ChemIDplus A third-generation cephalosporin antibiotic with methoxymethyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamino substituents at positions 3 and 7, respectively, of the cephem skeleton. Given by mouth as its proxetil ester prodrug, it is used to treat acute otitis media, pharyngitis, and sinusitis. 0 C15H17N5O6S2 InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1 WYUSVOMTXWRGEK-HBWVYFAYSA-N 427.45500 427.06203 [H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O CHEBI:606443 Beilstein:6021381 CAS:80210-62-4 DrugBank:DB01416 KEGG:C08114 KEGG:D07650 PMID:20606336 PMID:20821175 PMID:21395603 PMID:21420838 PMID:21455420 PMID:21509928 PMID:21569093 PMID:21667000 PMID:29017833 Reaxys:6021381 VSDB:2968 Wikipedia:Cefpodoxime 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefpodoxima cefpodoxime cefpodoximum CHEBI:3504 cefpodoxime Beilstein:6021381 Beilstein CAS:80210-62-4 ChemIDplus CAS:80210-62-4 KEGG COMPOUND PMID:20606336 Europe PMC PMID:20821175 Europe PMC PMID:21395603 Europe PMC PMID:21420838 Europe PMC PMID:21455420 Europe PMC PMID:21509928 Europe PMC PMID:21569093 Europe PMC PMID:21667000 Europe PMC PMID:29017833 Europe PMC Reaxys:6021381 Reaxys 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylic acid IUPAC (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC cefpodoxima ChemIDplus cefpodoxime ChemIDplus cefpodoximum ChemIDplus The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis. 0 C21H27N5O9S2 InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1 LTINZAODLRIQIX-FBXRGJNPSA-N 557.59700 557.12502 [H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OC(C)OC(=O)OC(C)C Beilstein:8174918 CAS:87239-81-4 DrugBank:DB01416 Drug_Central:555 KEGG:C08115 KEGG:D00920 Patent:EP49118 Patent:US4486425 1-{[(propan-2-yloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylate chebi_ontology (RS)-1-((isopropoxycarbonyl)oxy)ethyl (+)-(6R,7R)-7-(2-(2-amino-4-thiazolyl)-2-((Z)-methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate cefpodoxime 1-(isopropyloxycarbonyloxy)ethyl ester CHEBI:3505 cefpodoxime proxetil Beilstein:8174918 Beilstein CAS:87239-81-4 ChemIDplus CAS:87239-81-4 KEGG COMPOUND Drug_Central:555 DrugCentral 1-{[(propan-2-yloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC 1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylate IUPAC (RS)-1-((isopropoxycarbonyl)oxy)ethyl (+)-(6R,7R)-7-(2-(2-amino-4-thiazolyl)-2-((Z)-methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate ChemIDplus cefpodoxime 1-(isopropyloxycarbonyloxy)ethyl ester ChEBI A third-generation cephalosporin antibiotic bearing pyridinium-1-ylmethyl and {[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. 0 C22H22N6O7S2 InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1 ORFOPKXBNMVMKC-DWVKKRMSSA-N 546.57600 546.09914 [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O Beilstein:5475149 CAS:72558-82-8 DrugBank:DB00438 KEGG:C06889 KEGG:D07654 PMID:11252323 PMID:11284241 PMID:11591698 PMID:11605815 PMID:11815759 PMID:12048030 PMID:12120880 PMID:12523657 PMID:12767750 PMID:12833570 PMID:1384868 PMID:14961139 PMID:15528892 PMID:15618675 PMID:15687217 PMID:15913752 PMID:16092041 PMID:16501927 PMID:16956383 PMID:18611568 PMID:18926104 PMID:19810175 PMID:1991925 PMID:2068466 PMID:24089577 PMID:2570956 PMID:28543395 Patent:DE2921316 Patent:US4258041 Reaxys:5475149 Wikipedia:Ceftazidime 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate chebi_ontology (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAZ Ceftazidime anhydrous ceftazidima ceftazidime ceftazidimum CHEBI:3508 ceftazidime Beilstein:5475149 Beilstein CAS:72558-82-8 ChemIDplus CAS:72558-82-8 KEGG COMPOUND CAS:72558-82-8 KEGG DRUG PMID:11252323 Europe PMC PMID:11284241 Europe PMC PMID:11591698 Europe PMC PMID:11605815 Europe PMC PMID:11815759 Europe PMC PMID:12048030 Europe PMC PMID:12120880 Europe PMC PMID:12523657 Europe PMC PMID:12767750 Europe PMC PMID:12833570 Europe PMC PMID:1384868 Europe PMC PMID:14961139 Europe PMC PMID:15528892 Europe PMC PMID:15618675 Europe PMC PMID:15687217 Europe PMC PMID:15913752 Europe PMC PMID:16092041 Europe PMC PMID:16501927 Europe PMC PMID:16956383 Europe PMC PMID:18611568 Europe PMC PMID:18926104 Europe PMC PMID:19810175 Europe PMC PMID:1991925 Europe PMC PMID:2068466 Europe PMC PMID:24089577 Europe PMC PMID:2570956 Europe PMC PMID:28543395 Europe PMC Reaxys:5475149 Reaxys 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate IUPAC (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC CAZ KEGG_DRUG Ceftazidime anhydrous ChemIDplus ceftazidima DrugBank ceftazidime KEGG_DRUG ceftazidimum DrugBank chebi_ontology nitrogen hydrides CHEBI:35106 nitrogen hydride nitrogen hydrides ChEBI Saturated acyclic nitrogen hydrides having the general formula NnHn+2. chebi_ontology azanes CHEBI:35107 azane azanes ChEBI manganese coordination entity chebi_ontology manganese coordination compounds manganese coordination entities CHEBI:35117 manganese coordination entity manganese coordination entity ChEBI manganese coordination compounds ChEBI manganese coordination entities ChEBI chebi_ontology aldose phosphates CHEBI:35131 aldose phosphate aldose phosphates ChEBI A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain. 0 C16H16N4O8S InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 JFPVXVDWJQMJEE-IZRZKJBUSA-N 424.38640 424.06888 [H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1ccco1)C(O)=O CAS:55268-75-2 DrugBank:DB01112 Drug_Central:565 KEGG:C06894 KEGG:D00262 MetaCyc:CPD0-2069 PMID:11168076 PMID:11322179 PMID:11581233 PMID:12141712 PMID:12235459 PMID:12833570 PMID:12898829 PMID:14658923 PMID:15052582 PMID:15828440 PMID:16341950 PMID:17111749 PMID:17113884 PMID:17261579 PMID:17366015 PMID:17676080 PMID:18208759 PMID:18611587 PMID:18795089 PMID:18931469 PMID:19069618 PMID:19142482 PMID:19411164 PMID:21425867 PMID:29017833 Patent:DE2439880 Patent:DE2706413 Patent:US3974153 Patent:US4267320 Reaxys:5783190 Wikipedia:Cefuroxime 3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid Cefuroxime chebi_ontology (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefuroxim Cephuroxime Sharox Zinacef Danmark cefuroxime cefuroximo cefuroximum CHEBI:3515 cefuroxime CAS:55268-75-2 ChemIDplus CAS:55268-75-2 KEGG COMPOUND Drug_Central:565 DrugCentral PMID:11168076 Europe PMC PMID:11322179 Europe PMC PMID:11581233 Europe PMC PMID:12141712 Europe PMC PMID:12235459 Europe PMC PMID:12833570 Europe PMC PMID:12898829 Europe PMC PMID:14658923 Europe PMC PMID:15052582 Europe PMC PMID:15828440 Europe PMC PMID:16341950 Europe PMC PMID:17111749 Europe PMC PMID:17113884 Europe PMC PMID:17261579 Europe PMC PMID:17366015 Europe PMC PMID:17676080 Europe PMC PMID:18208759 Europe PMC PMID:18611587 Europe PMC PMID:18795089 Europe PMC PMID:18931469 Europe PMC PMID:19069618 Europe PMC PMID:19142482 Europe PMC PMID:19411164 Europe PMC PMID:21425867 Europe PMC PMID:29017833 Europe PMC Reaxys:5783190 Reaxys 3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid IUPAC Cefuroxime KEGG_COMPOUND (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Cefuroxim ChemIDplus Cephuroxime ChemIDplus Sharox ChemIDplus Zinacef Danmark ChemIDplus cefuroxime ChemIDplus cefuroximo ChemIDplus cefuroximum ChemIDplus chebi_ontology sulfate salts sulfates sulphate salts sulphates CHEBI:35175 sulfate salt sulfate salts ChEBI sulfates ChEBI sulphate salts ChEBI sulphates ChEBI A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]. terpene terpenes chebi_ontology Terpen terpenes terpeno terpenos CHEBI:35186 terpene terpene IUPAC terpenes IUPAC Terpen ChEBI terpenes IUPAC terpeno IUPAC terpenos IUPAC A C15 terpene. sesquiterpenes chebi_ontology Sesquiterpen sesquiterpenes sesquiterpeno sesquiterpenos CHEBI:35189 sesquiterpene sesquiterpenes IUPAC Sesquiterpen ChEBI sesquiterpenes IUPAC sesquiterpeno IUPAC sesquiterpenos IUPAC A C20 terpene. diterpenes chebi_ontology Diterpen diterpenes diterpeno diterpenos CHEBI:35190 diterpene diterpenes IUPAC Diterpen ChEBI diterpenes IUPAC diterpeno IUPAC diterpenos IUPAC A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces. surfactant chebi_ontology surface active agent surfactants CHEBI:35195 surfactant surfactant IUPAC surface active agent IUPAC surfactants ChEBI A depsipeptide in which the amino and hydroxy carboxylic acid residues are connected in a ring. cyclodepsipeptides chebi_ontology Cyclodepsipeptid Zyklodepsipeptid CHEBI:35213 cyclodepsipeptide cyclodepsipeptides IUPAC Cyclodepsipeptid ChEBI Zyklodepsipeptid ChEBI A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. Wikipedia:Antimetabolite antimetabolite chebi_ontology antimetabolites CHEBI:35221 antimetabolite antimetabolite IUPAC antimetabolites ChEBI A substance that diminishes the rate of a chemical reaction. inhibitor chebi_ontology inhibidor inhibiteur inhibitors CHEBI:35222 inhibitor inhibitor IUPAC inhibidor ChEBI inhibiteur ChEBI inhibitors ChEBI A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction. catalyst chebi_ontology Katalysator catalizador catalyseur CHEBI:35223 catalyst catalyst IUPAC Katalysator ChEBI catalizador ChEBI catalyseur ChEBI The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group. amino acid zwitterion chebi_ontology CHEBI:35238 amino acid zwitterion amino acid zwitterion ChEBI An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of serine. 0 C3H7NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N 105.09262 105.04259 [NH3+]C(CO)C([O-])=O Beilstein:3935647 Gmelin:2060272 2-ammonio-3-hydroxypropanoate serine zwitterion chebi_ontology CHEBI:35243 serine zwitterion Beilstein:3935647 Beilstein Gmelin:2060272 Gmelin 2-ammonio-3-hydroxypropanoate IUPAC serine zwitterion IUPAC A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. +1 NR4 14.00670 14.00307 [*][N+]([*])([*])[*] CHEBI:26470 CHEBI:8693 KEGG:C06703 quaternary ammonium ion chebi_ontology Quaternary amine a quaternary ammonium quaternary ammonium ions CHEBI:35267 quaternary ammonium ion quaternary ammonium ion IUPAC Quaternary amine KEGG_COMPOUND a quaternary ammonium UniProt quaternary ammonium ions ChEBI A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc). chebi_ontology ammonium ion derivatives azanium ion derivative azanium ion derivatives CHEBI:35274 ammonium ion derivative ammonium ion derivatives ChEBI azanium ion derivative ChEBI azanium ion derivatives ChEBI A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and a S atom bound to a carbon atom, thus creating a C-S bond. CHEBI:22048 CHEBI:33577 S-glycosyl compound chebi_ontology S-glycoside S-glycosides S-glycosyl compounds thioglycoside thioglycosides CHEBI:35275 S-glycosyl compound S-glycosyl compound ChEBI S-glycoside ChEBI S-glycosides ChEBI S-glycosyl compounds ChEBI thioglycoside JCBN thioglycosides JCBN Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups. azanium compounds chebi_ontology ammonium compounds CHEBI:35276 ammonium compound azanium compounds IUPAC ammonium compounds ChEBI ammonium compounds IUPAC Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. betaines chebi_ontology onium betaines CHEBI:35281 onium betaine betaines IUPAC onium betaines ChEBI chebi_ontology iminium betaines CHEBI:35285 iminium betaine iminium betaines ChEBI Cations of structure R2C=N(+)R2. iminium ion chebi_ontology iminium cations iminium ions CHEBI:35286 iminium ion iminium ion ChEBI iminium cations ChEBI iminium ions ChEBI A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are adjacent to each other. chebi_ontology fused compounds fused polycyclic compounds fused-ring polycyclic compound fused-ring polycyclic compounds polycyclic fused-ring compounds CHEBI:35293 fused compound fused compounds ChEBI fused polycyclic compounds ChEBI fused-ring polycyclic compound ChEBI fused-ring polycyclic compounds ChEBI polycyclic fused-ring compounds ChEBI A polyclic compound in which all of the ring members are carbon atoms. chebi_ontology carbopolycyclic compounds CHEBI:35294 carbopolycyclic compound carbopolycyclic compounds ChEBI chebi_ontology homopolycyclic compounds CHEBI:35295 homopolycyclic compound homopolycyclic compounds ChEBI chebi_ontology ortho-fused polycyclic arenes CHEBI:35296 ortho-fused polycyclic arene ortho-fused polycyclic arenes ChEBI A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement. 0 C10H8.(C4H2)n Wikipedia:Acene acene acenes chebi_ontology Acen Azen polyacenes CHEBI:35297 acene acene IUPAC acenes IUPAC Acen ChEBI Azen ChEBI polyacenes ChEBI pentoside chebi_ontology pentosides CHEBI:35312 pentoside pentoside ChEBI pentosides ChEBI hexoside chebi_ontology hexosides CHEBI:35313 hexoside hexoside ChEBI hexosides ChEBI A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract. 0 C16H17N3O4S InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N 347.38900 347.09398 [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O Beilstein:965503 CAS:15686-71-2 DrugBank:DB00567 Drug_Central:571 HMDB:HMDB0014707 KEGG:C06895 KEGG:D00263 LINCS:LSM-5957 PMID:10930630 PMID:12569987 PMID:12833570 PMID:1384868 PMID:2083978 PMID:22559990 PMID:23061564 PMID:23457080 PMID:23545436 PMID:23688276 PMID:23811740 PMID:24268227 PMID:24548092 PMID:29017833 Patent:US3275626 Patent:US3507861 Reaxys:4238892 VSDB:1791 Wikipedia:Cefalexin 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid 7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid CEX Cefalexin Celexin Cepastar Cepexin Cephacillin Ceporexin cefalexina cefalexine cefalexinum CHEBI:3534 cephalexin Beilstein:965503 Beilstein CAS:15686-71-2 ChemIDplus CAS:15686-71-2 KEGG COMPOUND Drug_Central:571 DrugCentral PMID:10930630 Europe PMC PMID:12569987 Europe PMC PMID:12833570 Europe PMC PMID:1384868 Europe PMC PMID:2083978 Europe PMC PMID:22559990 Europe PMC PMID:23061564 Europe PMC PMID:23457080 Europe PMC PMID:23545436 Europe PMC PMID:23688276 Europe PMC PMID:23811740 Europe PMC PMID:24268227 Europe PMC PMID:24548092 Europe PMC PMID:29017833 Europe PMC Reaxys:4238892 Reaxys 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid IUPAC (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid ChemIDplus 7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid ChemIDplus CEX KEGG_DRUG Cefalexin KEGG_COMPOUND Celexin ChemIDplus Cepastar ChemIDplus Cepexin ChemIDplus Cephacillin ChemIDplus Ceporexin ChemIDplus cefalexina ChemIDplus cefalexine ChemIDplus cefalexinum ChemIDplus Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene which is a triterpene. 0 C19H31R 259.450 259.24258 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C CHEBI:13687 CHEBI:26768 CHEBI:9263 KEGG:C00377 MetaCyc:Steroids Steroid steroids chebi_ontology a steroid CHEBI:35341 steroid Steroid KEGG_COMPOUND steroids IUPAC a steroid UniProt CHEBI:24748 CHEBI:5814 KEGG:C02159 chebi_ontology Hydroxysteroid hydroxy steroids hydroxysteroids CHEBI:35350 hydroxy steroid Hydroxysteroid KEGG_COMPOUND hydroxy steroids ChEBI hydroxysteroids ChEBI Any heteroorganic entity containing at least one carbon-nitrogen bond. organonitrogen compounds chebi_ontology organonitrogens CHEBI:35352 organonitrogen compound organonitrogen compounds IUPAC organonitrogens ChEBI An imide in which the two acyl substituents on nitrogen are carboacyl groups. 0 C2NO2R3 70.027 69.99290 [*]N(C([*])=O)C([*])=O chebi_ontology dicarboximides CHEBI:35356 dicarboximide dicarboximides ChEBI An amide of a sulfonic acid RS(=O)2NR'2. 0 NO2SR3 78.07100 77.96497 [*]S(=O)(=O)N([*])[*] PMID:11498380 PMID:2434548 PMID:26811268 PMID:26832216 Wikipedia:Sulfonamide sulfonamides chebi_ontology sulfonamides CHEBI:35358 sulfonamide PMID:11498380 Europe PMC PMID:2434548 Europe PMC PMID:26811268 Europe PMC PMID:26832216 Europe PMC sulfonamides IUPAC sulfonamides ChEBI Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom. KEGG:C06060 carboxamidines chebi_ontology Amidines carboxamidines CHEBI:35359 carboxamidine carboxamidines IUPAC Amidines KEGG_COMPOUND carboxamidines ChEBI Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). hydrazides chebi_ontology hydrazides CHEBI:35362 hydrazide hydrazides IUPAC hydrazides ChEBI A hydrazide consisting of hydrazine carrying one or more carboacyl groups. 0 CN2OR4 56.024 56.00106 N(C(*)=O)(N(*)*)* carbohydrazides chebi_ontology carbohydrazides CHEBI:35363 carbohydrazide carbohydrazides IUPAC carbohydrazides ChEBI Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids. 0 CHO2R 45.01740 44.99765 OC([*])=O CHEBI:13633 CHEBI:24024 CHEBI:4984 KEGG:C00162 PMID:14287444 PMID:14300208 PMID:14328676 Wikipedia:Fatty_acid Fatty acid fatty acids chebi_ontology Fettsaeure Fettsaeuren acide gras acides gras acido graso acidos grasos fatty acids CHEBI:35366 fatty acid PMID:14287444 Europe PMC PMID:14300208 Europe PMC PMID:14328676 Europe PMC Fatty acid KEGG_COMPOUND fatty acids IUPAC Fettsaeure ChEBI Fettsaeuren ChEBI acide gras ChEBI acides gras ChemIDplus acido graso ChEBI acidos grasos ChEBI fatty acids ChEBI Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group. CHEBI:25407 CHEBI:6984 KEGG:C06698 Monosaccharide monosaccharides chebi_ontology Monosaccharid Monosacharid monosacarido monosacaridos CHEBI:35381 monosaccharide Monosaccharide KEGG_COMPOUND monosaccharides IUPAC Monosaccharid ChEBI Monosacharid ChEBI monosacarido ChEBI monosacaridos IUPAC An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen. CHEBI:33274 CHEBI:33436 oxoanion chebi_ontology oxoacid anions oxoanions CHEBI:35406 oxoanion oxoanion ChEBI oxoacid anions ChEBI oxoanions ChEBI A primary diamine is a compound derived from a hydrocarbon by replacing two hydrogen atoms by amino groups. 0 H4N2R 32.045 32.03745 N[*]N CHEBI:26264 CHEBI:8408 KEGG:C02311 Primary diamine primary diamines chebi_ontology primary diamines CHEBI:35410 primary diamine Primary diamine KEGG_COMPOUND primary diamines IUPAC primary diamines ChEBI A primary diamine that is ethane or a higher alkane in which a hydrogen of each of the terminal methyl groups has been replaced by an amino group. H2NCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc. 0 (CH2)n.C2H8N2 H4N2(CH2)n CHEBI:10204 CHEBI:13775 CHEBI:13808 CHEBI:22316 CHEBI:2577 KEGG:C02896 KEGG:C03687 Alkane-alpha,omega-diamine chebi_ontology alkane-alpha,omega-diamines alpha,omega-Diamine CHEBI:35411 alkane-alpha,omega-diamine Alkane-alpha,omega-diamine KEGG_COMPOUND alkane-alpha,omega-diamines ChEBI alpha,omega-Diamine KEGG_COMPOUND ortho-fused polycyclic hydrocarbon chebi_ontology ortho-fused polycyclic hydrocarbons CHEBI:35427 ortho-fused polycyclic hydrocarbon ortho-fused polycyclic hydrocarbon ChEBI ortho-fused polycyclic hydrocarbons ChEBI Any glucoside in which the glycoside group is derived from D-glucose. 0 C6H11O6R 179.148 179.05556 [C@@H]1(OC([C@H](O)[C@H]([C@@H]1O)O)O*)CO CHEBI:21009 CHEBI:4173 KEGG:C01798 D-Glucoside chebi_ontology D-glucosides a D-glucoside CHEBI:35436 D-glucoside D-Glucoside KEGG_COMPOUND D-glucosides ChEBI a D-glucoside UniProt A substance used in the prophylaxis or therapy of infectious diseases. chebi_ontology anti-infective agents anti-infective drugs antiinfective agents antiinfective drug CHEBI:35441 antiinfective agent anti-infective agents ChEBI anti-infective drugs ChEBI antiinfective agents ChEBI antiinfective drug ChEBI A substance used to treat or prevent parasitic infections. Wikipedia:Antiparasitic chebi_ontology antiparasitic drugs antiparasitics parasiticides CHEBI:35442 antiparasitic agent antiparasitic drugs ChEBI antiparasitics ChEBI parasiticides ChEBI Substance intended to kill parasitic worms (helminths). anthelminthic chebi_ontology anthelminthics anthelmintic anthelmintics antihelminth antihelmintico vermifuge CHEBI:35443 anthelminthic drug anthelminthic IUPAC anthelminthics ChEBI anthelmintic IUPAC anthelmintics ChEBI antihelminth ChEBI antihelmintico ChEBI vermifuge ChEBI A substance used in the treatment or control of nematode infestations. chebi_ontology antinematodal agent antinematodal drugs antinematodals CHEBI:35444 antinematodal drug antinematodal agent ChEBI antinematodal drugs ChEBI antinematodals ChEBI A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. chebi_ontology CNS agent CNS drugs central nervous system agents CHEBI:35470 central nervous system drug CNS agent ChEBI CNS drugs ChEBI central nervous system agents ChEBI A substance that reduces or suppresses inflammation. chebi_ontology anti-inflammatory drugs antiinflammatory agent antiinflammatory drug antiinflammatory drugs CHEBI:35472 anti-inflammatory drug anti-inflammatory drugs ChEBI antiinflammatory agent ChEBI antiinflammatory drug ChEBI antiinflammatory drugs ChEBI An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Wikipedia:Non-steroidal_anti-inflammatory_drug chebi_ontology NSAID NSAIDs non-steroidal anti-inflammatory agent non-steroidal anti-inflammatory drugs CHEBI:35475 non-steroidal anti-inflammatory drug NSAID ChEBI NSAIDs ChEBI non-steroidal anti-inflammatory agent ChEBI non-steroidal anti-inflammatory drugs ChEBI chebi_ontology alkali metal salts CHEBI:35479 alkali metal salt alkali metal salts ChEBI A loosely defined group of drugs that tend to reduce the activity of the central nervous system. chebi_ontology CNS depressants central nervous system depressants CHEBI:35488 central nervous system depressant CNS depressants ChEBI central nervous system depressants ChEBI Compounds of structure RSSR in which R and R' are organic groups. 0 S2R2 64.13000 63.94414 [*]SS[*] disulfides chebi_ontology an organic disulfide organic disulfides CHEBI:35489 organic disulfide disulfides IUPAC an organic disulfide UniProt organic disulfides ChEBI Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. chebi_ontology CHEBI:35496 fluorobenzenes A compound which inhibits or antagonises the biosynthesis or actions of androgens. Wikipedia:Antiandrogen chebi_ontology antiandrogen CHEBI:35497 androgen antagonist antiandrogen ChEBI An agent that promotes the excretion of urine through its effects on kidney function. chebi_ontology diuretics CHEBI:35498 diuretic diuretics ChEBI natural product fundamental parents chebi_ontology CHEBI:35507 natural product fundamental parent natural product fundamental parents IUPAC chebi_ontology steroid fundamental parents CHEBI:35508 steroid fundamental parent steroid fundamental parents ChEBI The 5alpha-stereoisomer of cholestane. 0 C27H48 InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1 XIIAYQZJNBULGD-XWLABEFZSA-N 372.67002 372.37560 [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCCC(C)C CHEBI:20650 Beilstein:2051806 CAS:481-21-0 HMDB:HMDB0041632 Reaxys:2051806 5alpha-cholestane chebi_ontology (5alpha)-cholestane alpha-cholestane CHEBI:35515 5alpha-cholestane Beilstein:2051806 Beilstein CAS:481-21-0 ChemIDplus CAS:481-21-0 NIST Chemistry WebBook Reaxys:2051806 Reaxys 5alpha-cholestane IUPAC (5alpha)-cholestane NIST_Chemistry_WebBook alpha-cholestane NIST_Chemistry_WebBook 0 C27H48 InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1 XIIAYQZJNBULGD-LDHZKLTISA-N 372.67002 372.37560 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C Beilstein:5334741 CAS:14982-53-7 LIPID_MAPS_instance:LMST01010000 Wikipedia:Cholestane cholestane chebi_ontology CHEBI:35516 cholestane Beilstein:5334741 Beilstein CAS:14982-53-7 ChemIDplus CAS:14982-53-7 NIST Chemistry WebBook LIPID_MAPS_instance:LMST01010000 LIPID MAPS cholestane IUPAC A drug which lowers the blood glucose level. chebi_ontology anti-hyperglycemic agent anti-hyperglycemic agents antidiabetic antihyperglycemic antihyperglycemic agent antihyperglycemic agents antihyperglycemic drug antihyperglycemic drugs antihyperglycemics hypoglycemic agents hypoglycemic drug hypoglycemic drugs CHEBI:35526 hypoglycemic agent anti-hyperglycemic agent ChEBI anti-hyperglycemic agents ChEBI antidiabetic ChEBI antihyperglycemic ChEBI antihyperglycemic agent ChEBI antihyperglycemic agents ChEBI antihyperglycemic drug ChEBI antihyperglycemic drugs ChEBI antihyperglycemics ChEBI hypoglycemic agents ChEBI hypoglycemic drug ChEBI hypoglycemic drugs ChEBI 0 C2H3N3 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) NSPMIYGKQJPBQR-UHFFFAOYSA-N 69.06544 69.03270 c1nc[nH]n1 Beilstein:104767 CAS:288-88-0 Gmelin:122679 1H-1,2,4-triazole chebi_ontology s-Triazole CHEBI:35550 1H-1,2,4-triazole Beilstein:104767 Beilstein CAS:288-88-0 NIST Chemistry WebBook Gmelin:122679 Gmelin 1H-1,2,4-triazole IUPAC s-Triazole NIST_Chemistry_WebBook heterocyclic parent hydrides chebi_ontology heterocyclic fundamental parent heterocyclic organic fundamental parents organic heterocyclic fundamental parents CHEBI:35552 heterocyclic organic fundamental parent heterocyclic parent hydrides IUPAC heterocyclic fundamental parent ChEBI heterocyclic organic fundamental parents ChEBI organic heterocyclic fundamental parents ChEBI A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. chebi_ontology cardiovascular agent cardiovascular drugs CHEBI:35554 cardiovascular drug cardiovascular agent ChEBI cardiovascular drugs ChEBI chebi_ontology mancude organic heteromonocyclic parents mancude-ring organic heteromonocyclic parents CHEBI:35555 mancude organic heteromonocyclic parent mancude organic heteromonocyclic parents ChEBI mancude-ring organic heteromonocyclic parents ChEBI 0 C2H3N3 69.065 69.03270 DrugBank:DB03594 1,2,4-triazole chebi_ontology CHEBI:35560 1,2,4-triazole 1,2,4-triazole IUPAC 0 C2H3N3 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2 FFGRBWANQMLTQI-UHFFFAOYSA-N 69.06544 69.03270 C1N=CN=N1 Beilstein:506536 Gmelin:362238 3H-1,2,4-triazole chebi_ontology CHEBI:35561 3H-1,2,4-triazole Beilstein:506536 Beilstein Gmelin:362238 Gmelin 3H-1,2,4-triazole IUPAC Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds. mancude-ring systems chebi_ontology mancude rings mancunide-ring systems CHEBI:35568 mancude ring mancude-ring systems IUPAC mancude rings ChEBI mancunide-ring systems IUPAC chebi_ontology mancude organic heterobicyclic parents mancude-ring organic heterobicyclic parents CHEBI:35570 mancude organic heterobicyclic parent mancude organic heterobicyclic parents ChEBI mancude-ring organic heterobicyclic parents ChEBI chebi_ontology mancude organic heterocyclic parents mancude-ring organic heterocyclic parents CHEBI:35571 mancude organic heterocyclic parent mancude organic heterocyclic parents ChEBI mancude-ring organic heterocyclic parents ChEBI chebi_ontology organic mancude parents organic mancude-ring parents CHEBI:35573 organic mancude parent organic mancude parents ChEBI organic mancude-ring parents ChEBI A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n. carbon oxoanion chebi_ontology carbon oxoanions oxocarbon anion oxocarbon anions CHEBI:35604 carbon oxoanion carbon oxoanion ChEBI carbon oxoanions ChEBI oxocarbon anion ChEBI oxocarbon anions ChEBI chebi_ontology carbon oxoacids oxoacids of carbon CHEBI:35605 carbon oxoacid carbon oxoacids ChEBI oxoacids of carbon ChEBI A substance that inhibits or prevents the proliferation of neoplasms. chebi_ontology anticancer agent anticancer agents antineoplastic antineoplastic agents cytostatic CHEBI:35610 antineoplastic agent anticancer agent ChEBI anticancer agents ChEBI antineoplastic ChEBI antineoplastic agents ChEBI cytostatic ChEBI Any ether in which the oxygen is attached to at least one aryl substituent. chebi_ontology CHEBI:35618 aromatic ether A drug used to cause dilation of the blood vessels. chebi_ontology vasodilator vasodilator agents CHEBI:35620 vasodilator agent vasodilator ChEBI vasodilator agents ChEBI chebi_ontology thiazolidine CHEBI:35622 thiazolidines thiazolidine ChEBI A drug used to prevent seizures or reduce their severity. chebi_ontology Antiepileptika Antiepileptikum Antikonvulsiva Antikonvulsivum anti-convulsant anti-convulsants anti-convulsive agent anti-convulsive agents anticonvulsants anticonvulsive agent anticonvulsive agents antiepileptic antiepileptics antiepileptique antiepileptiques CHEBI:35623 anticonvulsant Antiepileptika ChEBI Antiepileptikum ChEBI Antikonvulsiva ChEBI Antikonvulsivum ChEBI anti-convulsant ChEBI anti-convulsants ChEBI anti-convulsive agent ChEBI anti-convulsive agents ChEBI anticonvulsants ChEBI anticonvulsive agent ChEBI anticonvulsive agents ChEBI antiepileptic ChEBI antiepileptics ChEBI antiepileptique ChEBI antiepileptiques ChEBI An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of beta-lactamase (EC 3.5.2.6). chebi_ontology EC 3.5.2.6 (beta-lactamase) inhibitors EC 3.5.2.6 inhibitor EC 3.5.2.6 inhibitors ampicillinase inhibitor ampicillinase inhibitors beta-lactam hydrolase inhibitor beta-lactam hydrolase inhibitors beta-lactamase (EC 3.5.2.6) inhibitor beta-lactamase (EC 3.5.2.6) inhibitors beta-lactamase A, B, C inhibitor beta-lactamase A, B, C inhibitors beta-lactamase AME I inhibitor beta-lactamase AME I inhibitors beta-lactamase I-III inhibitor beta-lactamase I-III inhibitors beta-lactamase inhibitor beta-lactamase inhibitors cephalosporin-beta-lactamase inhibitor cephalosporin-beta-lactamase inhibitors cephalosporinase inhibitor cephalosporinase inhibitors exopenicillinase inhibitor exopenicillinase inhibitors neutrapen inhibitor neutrapen inhibitors penicillin amido-beta-lactamhydrolase inhibitor penicillin amido-beta-lactamhydrolase inhibitors penicillin beta-lactamase inhibitor penicillin beta-lactamase inhibitors penicillinase I, II inhibitor penicillinase I, II inhibitors penicillinase inhibitor penicillinase inhibitors CHEBI:35625 EC 3.5.2.6 (beta-lactamase) inhibitor EC 3.5.2.6 (beta-lactamase) inhibitors ChEBI EC 3.5.2.6 inhibitor ChEBI EC 3.5.2.6 inhibitors ChEBI ampicillinase inhibitor ChEBI ampicillinase inhibitors ChEBI beta-lactam hydrolase inhibitor ChEBI beta-lactam hydrolase inhibitors ChEBI beta-lactamase (EC 3.5.2.6) inhibitor ChEBI beta-lactamase (EC 3.5.2.6) inhibitors ChEBI beta-lactamase A, B, C inhibitor ChEBI beta-lactamase A, B, C inhibitors ChEBI beta-lactamase AME I inhibitor ChEBI beta-lactamase AME I inhibitors ChEBI beta-lactamase I-III inhibitor ChEBI beta-lactamase I-III inhibitors ChEBI beta-lactamase inhibitor ChEBI beta-lactamase inhibitors ChEBI cephalosporin-beta-lactamase inhibitor ChEBI cephalosporin-beta-lactamase inhibitors ChEBI cephalosporinase inhibitor ChEBI cephalosporinase inhibitors ChEBI exopenicillinase inhibitor ChEBI exopenicillinase inhibitors ChEBI neutrapen inhibitor ChEBI neutrapen inhibitors ChEBI penicillin amido-beta-lactamhydrolase inhibitor ChEBI penicillin amido-beta-lactamhydrolase inhibitors ChEBI penicillin beta-lactamase inhibitor ChEBI penicillin beta-lactamase inhibitors ChEBI penicillinase I, II inhibitor ChEBI penicillinase I, II inhibitors ChEBI penicillinase inhibitor ChEBI penicillinase inhibitors ChEBI A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon. 0 C3H2NOR3 68.054 68.01364 C1(C(N(*)C1*)=O)* CHEBI:10426 CHEBI:13203 CHEBI:22845 KEGG:C01866 Wikipedia:Beta-lactam beta-Lactam chebi_ontology a beta-lactam beta-lactams CHEBI:35627 beta-lactam beta-Lactam KEGG_COMPOUND a beta-lactam UniProt beta-lactams ChEBI Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. Wikipedia:Antihypertensive_drug chebi_ontology antihypertensive antihypertensive agents antihypertensive drug antihypertensive drugs CHEBI:35674 antihypertensive agent antihypertensive ChEBI antihypertensive agents ChEBI antihypertensive drug ChEBI antihypertensive drugs ChEBI A substance used to treat hyperlipidemia (an excess of lipids in the blood). Wikipedia:Hypolipidemic_agent chebi_ontology antihyperlipemic antihyperlipemics antihyperlipidaemic agent antihyperlipidaemic agents antihyperlipidaemic drug antihyperlipidaemic drugs antihyperlipidemic antihyperlipidemic agent antihyperlipidemic agents antihyperlipidemic drug antihyperlipidemic drugs antihyperlipidemics antilipemic antilipemic drugs antilipemics hypolipidemic agent hypolipidemic agents lipid-lowering agent lipid-lowering agents lipid-lowering drug lipid-lowering drugs CHEBI:35679 antilipemic drug antihyperlipemic ChEBI antihyperlipemics ChEBI antihyperlipidaemic agent ChEBI antihyperlipidaemic agents ChEBI antihyperlipidaemic drug ChEBI antihyperlipidaemic drugs ChEBI antihyperlipidemic ChEBI antihyperlipidemic agent ChEBI antihyperlipidemic agents ChEBI antihyperlipidemic drug ChEBI antihyperlipidemic drugs ChEBI antihyperlipidemics ChEBI antilipemic ChEBI antilipemic drugs ChEBI antilipemics ChEBI hypolipidemic agent ChEBI hypolipidemic agents ChEBI lipid-lowering agent ChEBI lipid-lowering agents ChEBI lipid-lowering drug ChEBI lipid-lowering drugs ChEBI A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it. 0 CH2OR2 30.026 30.01056 *C(*)O CHEBI:13425 CHEBI:13686 CHEBI:26617 CHEBI:58662 CHEBI:8741 CHEBI:9077 KEGG:C00432 KEGG:C01612 Secondary alcohol chebi_ontology R-CHOH-R' a secondary alcohol secondary alcohols CHEBI:35681 secondary alcohol Secondary alcohol KEGG_COMPOUND R-CHOH-R' KEGG_COMPOUND a secondary alcohol UniProt secondary alcohols ChEBI An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom. chebi_ontology CHEBI:35689 tetrazoles Any carboxylic acid containing two carboxy groups. CHEBI:23692 CHEBI:36172 CHEBI:4501 KEGG:C02028 Dicarboxylic acid chebi_ontology dicarboxylic acids CHEBI:35692 dicarboxylic acid Dicarboxylic acid KEGG_COMPOUND dicarboxylic acids ChEBI dicarboxylic acid anion chebi_ontology dicarboxylic acid anions CHEBI:35693 dicarboxylic acid anion dicarboxylic acid anion ChEBI dicarboxylic acid anions ChEBI Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid. chebi_ontology dicarboxylic acid monoanions CHEBI:35695 dicarboxylic acid monoanion dicarboxylic acid monoanions ChEBI A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter. CHEBI:23960 CHEBI:4859 KEGG:C00287 Wikipedia:Ester Ester chebi_ontology esters CHEBI:35701 ester Ester KEGG_COMPOUND esters ChEBI A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. CHEBI:10074 CHEBI:27333 KEGG:C06708 Wikipedia:Xenobiotic Xenobiotic xenobiotic xenobiotics chebi_ontology xenobiotic compounds CHEBI:35703 xenobiotic Xenobiotic KEGG_COMPOUND xenobiotic IUPAC xenobiotics IUPAC xenobiotic compounds ChEBI An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. chebi_ontology immunosuppressant immunosuppressive agents inmunosupresor CHEBI:35705 immunosuppressive agent immunosuppressant ChEBI immunosuppressive agents ChEBI inmunosupresor ChEBI A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied). nitro compounds chebi_ontology CHEBI:35715 nitro compound nitro compounds IUPAC A nitro compound having the nitro group (-NO2) attached to a carbon atom. C-nitro compounds chebi_ontology CHEBI:35716 C-nitro compound C-nitro compounds IUPAC An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. chebi_ontology antifungal antifungal agents antifungal drug antifungal drugs antifungals CHEBI:35718 antifungal agent antifungal ChEBI antifungal agents ChEBI antifungal drug ChEBI antifungal drugs ChEBI antifungals ChEBI A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. 0 C19H22FN3O3 InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26) SPFYMRJSYKOXGV-UHFFFAOYSA-N 359.395 359.16452 C1=C(C(=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)F)N4CCN(CC4)CC CAS:93106-60-6 Drug_Central:1017 HMDB:HMDB0029861 KEGG:D02473 LINCS:LSM-3709 PMID:15967281 PMID:19376344 PMID:24380725 PMID:26963935 PMID:8828132 Patent:KR20130080422 Patent:RU2491922 Patent:US4659603 Reaxys:5307824 VSDB:1762 Wikipedia:Enrofloxacin 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid Enrofloxacin chebi_ontology Baytril CHEBI:35720 enrofloxacin CAS:93106-60-6 ChemIDplus Drug_Central:1017 DrugCentral PMID:15967281 Europe PMC PMID:19376344 Europe PMC PMID:24380725 Europe PMC PMID:26963935 Europe PMC PMID:8828132 Europe PMC Reaxys:5307824 Reaxys 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid IUPAC Enrofloxacin ChemIDplus Baytril ChemIDplus An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. chebi_ontology triazole compounds CHEBI:35727 triazoles triazole compounds ChEBI A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated. -1 CO2R 44.01000 43.98983 [O-]C([*])=O CHEBI:13657 CHEBI:25382 CHEBI:3407 KEGG:C00060 chebi_ontology Carboxylate Monocarboxylate a monocarboxylate monocarboxylates monocarboxylic acid anions CHEBI:35757 monocarboxylic acid anion Carboxylate KEGG_COMPOUND Monocarboxylate KEGG_COMPOUND a monocarboxylate UniProt monocarboxylates ChEBI monocarboxylic acid anions ChEBI A phosphorus oxoanion that is the conjugate base of phosphoric acid. chebi_ontology Pi phosphate phosphate ions CHEBI:35780 phosphate ion Pi ChEBI phosphate ChEBI phosphate ions ChEBI Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds. LIPID_MAPS_class:LMSP01 sphingoid chebi_ontology Spd sphingoid base sphingoid bases sphingoids CHEBI:35785 sphingoid LIPID_MAPS_class:LMSP01 LIPID MAPS sphingoid CBN Spd CBN sphingoid base CBN sphingoid bases LIPID_MAPS sphingoids ChEBI An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. oxazole chebi_ontology oxazoles CHEBI:35790 oxazole oxazole ChEBI oxazoles ChEBI A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions. chebi_ontology leprostatic leprostatic agent leprostatic drugs CHEBI:35816 leprostatic drug leprostatic ChEBI leprostatic agent ChEBI leprostatic drugs ChEBI Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids. CHEBI:22919 CHEBI:3166 KEGG:C05996 PMID:18318842 chebi_ontology BCFA BCFAs Branched chain fatty acid branched fatty acid branched fatty acids branched-chain fatty acids CHEBI:35819 branched-chain fatty acid PMID:18318842 Europe PMC BCFA ChEBI BCFAs ChEBI Branched chain fatty acid KEGG_COMPOUND branched fatty acid ChEBI branched fatty acids ChEBI branched-chain fatty acids ChEBI Any antimicrobial drug which is used to treat or prevent protozoal infections. Wikipedia:Antiprotozoal_agent chebi_ontology antiprotozoal agent antiprotozoal agents antiprotozoal drugs CHEBI:35820 antiprotozoal drug antiprotozoal agent ChEBI antiprotozoal agents ChEBI antiprotozoal drugs ChEBI A drug used to treat rheumatoid arthritis. chebi_ontology anti-rheumatic drugs antirheumatic agent antirheumatic drugs CHEBI:35842 antirheumatic drug anti-rheumatic drugs ChEBI antirheumatic agent ChEBI antirheumatic drugs ChEBI An organosulfur compound having the structure RS(=O)2R (R =/= H). sulfone chebi_ontology sulfones CHEBI:35850 sulfone sulfone ChEBI sulfones ChEBI A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. chebi_ontology lipooxygenase inhibitor lipoxygenase inhibitors CHEBI:35856 lipoxygenase inhibitor lipooxygenase inhibitor ChEBI lipoxygenase inhibitors ChEBI A homodetic cyclic peptide consisting of (4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid attached head-to-tail to L-leucyl,D-glutamyl, L-lysyl, D-ornityl, L-isoleucyl, D-phenylalanyl, L-histidyl. D-aspartyl and L-asparaginyl residues coupled in sequence and cyclised by condensation of the side-chain amino group of the L-lysyl residue with the C-terminal carboxylic acid group. It is the major component of bacitracin. 0 C66H103N17O16S InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1 CLKOFPXJLQSYAH-ABRJDSQDSA-N 1422.69300 1421.74894 CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC CAS:22601-59-8 KEGG:C15482 Reaxys:8969478 N-({(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl}carbonyl)-L-leucyl-D-alpha-glutamyl-N-[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide chebi_ontology Bacitracin A2a Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-l-leucine)- CHEBI:35862 bacitracin A CAS:22601-59-8 ChemIDplus CAS:22601-59-8 KEGG COMPOUND Reaxys:8969478 Reaxys N-({(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl}carbonyl)-L-leucyl-D-alpha-glutamyl-N-[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide IUPAC Bacitracin A2a ChemIDplus Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-l-leucine)- ChemIDplus Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent. chebi_ontology hydroxy acid hydroxy monocarboxylic acids CHEBI:35868 hydroxy monocarboxylic acid hydroxy acid ChEBI hydroxy monocarboxylic acids ChEBI Any monocarboxylic acid having at least one additional oxo functional group. chebi_ontology oxo monocarboxylic acids CHEBI:35871 oxo monocarboxylic acid oxo monocarboxylic acids ChEBI chebi_ontology imidazopyrimidines CHEBI:35875 imidazopyrimidine imidazopyrimidines ChEBI pnictogen hydride chebi_ontology pnictogen hydrides CHEBI:35881 pnictogen hydride pnictogen hydride ChEBI pnictogen hydrides ChEBI CHEBI:35178 CHEBI:35901 chebi_ontology oxo monocarboxylic acid anions CHEBI:35902 oxo monocarboxylic acid anion oxo monocarboxylic acid anions ChEBI Any carboxylic acid anion containing at least one oxo group. chebi_ontology oxo carboxylic acid anions CHEBI:35903 oxo carboxylic acid anion oxo carboxylic acid anions ChEBI A steroid ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of a sterol. 0 C20H30O2R2 302.452 302.22458 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)OC(*)=O)C CHEBI:13220 CHEBI:15115 CHEBI:26770 CHEBI:26772 CHEBI:9268 CHEBI:9269 KEGG:C01958 Sterol ester chebi_ontology 3-hydroxysteroid ester 3-hydroxysteroid esters Steryl ester a sterol ester CHEBI:35915 sterol ester Sterol ester KEGG_COMPOUND 3-hydroxysteroid ester ChEBI 3-hydroxysteroid esters ChEBI Steryl ester KEGG_COMPOUND a sterol ester UniProt A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. chebi_ontology neurotransmitter agents CHEBI:35942 neurotransmitter agent neurotransmitter agents ChEBI An oxo monocarboxylic acid anion having the oxo group located at the 3-position (R = H or organyl group). -1 C3H2O3R 86.046 86.00039 C(C([O-])=O)C(*)=O chebi_ontology 3-oxo monocarboxylic acid anions a 3-oxo acid CHEBI:35973 3-oxo monocarboxylic acid anion 3-oxo monocarboxylic acid anions ChEBI a 3-oxo acid UniProt chebi_ontology 7-oxo monocarboxylic acids CHEBI:35983 7-oxo monocarboxylic acid 7-oxo monocarboxylic acids ChEBI Natural and synthetic antibiotics containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure, generally assumed to have the 5R configuration unless otherwise specified. penams chebi_ontology CHEBI:35992 penams penams IUPAC Any stilbenoid with at least one phenolic group. stilbenol chebi_ontology CHEBI:36027 stilbenol stilbenol ChEBI A drug used to treat or prevent microbial infections. chebi_ontology antimicrobial drugs CHEBI:36043 antimicrobial drug antimicrobial drugs ChEBI A drug used to treat or prevent bacterial infections. Wikipedia:Antibacterial chebi_ontology antibacterial drugs CHEBI:36047 antibacterial drug antibacterial drugs ChEBI Any monocarboxylic acid anion carrying at least one hydroxy substituent. chebi_ontology hydroxy monocarboxylic acid anions hydroxymonocarboxylic acid anion hydroxymonocarboxylic acid anions CHEBI:36059 hydroxy monocarboxylic acid anion hydroxy monocarboxylic acid anions ChEBI hydroxymonocarboxylic acid anion ChEBI hydroxymonocarboxylic acid anions ChEBI A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome. CHEBI:13677 CHEBI:14911 proteins chebi_ontology CHEBI:36080 protein proteins IUPAC chebi_ontology inorganic chloride salt inorganic chloride salts inorganic chlorides CHEBI:36093 inorganic chloride inorganic chloride salt ChEBI inorganic chloride salts ChEBI inorganic chlorides ChEBI Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). CHEBI:13684 CHEBI:26517 Wikipedia:Quinone quinone quinones chebi_ontology Chinon quinones CHEBI:36141 quinone quinone IUPAC quinones IUPAC Chinon ChEBI quinones ChEBI A compound in which two monosaccharides are joined by a glycosidic bond. CHEBI:23844 CHEBI:4654 KEGG:C01911 Disaccharide disaccharides chebi_ontology Disaccharid Disacharid disacarido disacaridos CHEBI:36233 disaccharide Disaccharide KEGG_COMPOUND disaccharides IUPAC Disaccharid ChEBI Disacharid ChEBI disacarido ChEBI disacaridos IUPAC A monoester of a dicarboxylic acid. chebi_ontology dicarboxylic acid monoesters CHEBI:36244 dicarboxylic acid monoester dicarboxylic acid monoesters ChEBI A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. chebi_ontology antitrypanosomal agent antitrypanosomal agents antitrypanosomal drug antitrypanosomal drugs trypanocidal drugs trypanocide trypanosomicidal agents CHEBI:36335 trypanocidal drug antitrypanosomal agent ChEBI antitrypanosomal agents ChEBI antitrypanosomal drug ChEBI antitrypanosomal drugs ChEBI trypanocidal drugs ChEBI trypanocide ChEBI trypanosomicidal agents ChEBI chebi_ontology naphthalenesulfonic acids CHEBI:36336 naphthalenesulfonic acid naphthalenesulfonic acids ChEBI Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin). chebi_ontology leptons CHEBI:36338 lepton leptons ChEBI Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy). chebi_ontology baryons CHEBI:36339 baryon baryons ChEBI Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi. fermion chebi_ontology fermions CHEBI:36340 fermion fermion IUPAC fermions ChEBI A particle smaller than an atom. Wikipedia:Subatomic_particle chebi_ontology subatomic particles CHEBI:36342 subatomic particle subatomic particles ChEBI A subatomic particle known to have substructure (i.e. consisting of smaller particles). chebi_ontology composite particles CHEBI:36343 composite particle composite particles ChEBI Hadron is a subatomic particle which experiences the strong force. chebi_ontology hadrons CHEBI:36344 hadron hadrons ChEBI A nucleus or any of its constituents in any of their energy states. nuclear particle chebi_ontology CHEBI:36347 nuclear particle nuclear particle IUPAC Any molecular entity consisting of more than one atom. chebi_ontology polyatomic entities CHEBI:36357 polyatomic entity polyatomic entities ChEBI An ion consisting of more than one atom. chebi_ontology polyatomic ions CHEBI:36358 polyatomic ion polyatomic ions ChEBI phosphorus oxoacid derivative chebi_ontology CHEBI:36359 phosphorus oxoacid derivative phosphorus oxoacid derivative ChEBI chebi_ontology CHEBI:36360 phosphorus oxoacids and derivatives 0 H3O3P InChI=1S/H3O3P/c1-4(2)3/h1-3H OJMIONKXNSYLSR-UHFFFAOYSA-N 81.99578 81.98198 [H]OP(O[H])O[H] CHEBI:26081 CHEBI:29196 CAS:10294-56-1 Gmelin:164068 phosphorous acid trihydrogen trioxophosphate(3-) trihydroxidophosphorus trioxophosphoric(3-) acid chebi_ontology H3PO3 P(OH)3 [P(OH)3] phosphite phosphorige Saeure CHEBI:36361 phosphorous acid CAS:10294-56-1 ChemIDplus CAS:10294-56-1 NIST Chemistry WebBook Gmelin:164068 Gmelin phosphorous acid IUPAC trihydrogen trioxophosphate(3-) IUPAC trihydroxidophosphorus IUPAC trioxophosphoric(3-) acid IUPAC H3PO3 IUPAC H3PO3 NIST_Chemistry_WebBook P(OH)3 IUPAC [P(OH)3] IUPAC phosphite UniProt phosphorige Saeure ChEBI An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. 0 C2H2Cl2O2 InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) JXTHNDFMNIQAHM-UHFFFAOYSA-N 128.94148 127.94318 OC(=O)C(Cl)Cl CHEBI:23695 CHEBI:4502 CHEBI:49918 Beilstein:1098596 CAS:79-43-6 DrugBank:DB08809 Drug_Central:862 Gmelin:2477 KEGG:C11149 LINCS:LSM-5314 MetaCyc:CPD-9674 PDBeChem:TF4 PMID:24112699 Reaxys:1098596 Wikipedia:Dichloroacetic_acid dichloroacetic acid chebi_ontology 2,2-dichloroacetic acid DICHLORO-ACETIC ACID Dichloressigsaeure Dichloroacetate bichloracetic acid dichloracetic acid CHEBI:36386 dichloroacetic acid Beilstein:1098596 ChemIDplus CAS:79-43-6 ChemIDplus CAS:79-43-6 KEGG COMPOUND CAS:79-43-6 NIST Chemistry WebBook Drug_Central:862 DrugCentral Gmelin:2477 Gmelin PMID:24112699 Europe PMC Reaxys:1098596 Reaxys dichloroacetic acid IUPAC 2,2-dichloroacetic acid ChemIDplus DICHLORO-ACETIC ACID PDBeChem Dichloressigsaeure ChEBI Dichloroacetate KEGG_COMPOUND bichloracetic acid NIST_Chemistry_WebBook dichloracetic acid NIST_Chemistry_WebBook chebi_ontology saturated heterocyclic parent hydride saturated heterocyclic parent hydrides saturated organic heterocyclic parents CHEBI:36388 saturated organic heterocyclic parent saturated heterocyclic parent hydride ChEBI saturated heterocyclic parent hydrides ChEBI saturated organic heterocyclic parents ChEBI chebi_ontology saturated heteromonocyclic parent hydride saturated heteromonocyclic parent hydrides saturated organic heteromonocyclic parents CHEBI:36389 saturated organic heteromonocyclic parent saturated heteromonocyclic parent hydride ChEBI saturated heteromonocyclic parent hydrides ChEBI saturated organic heteromonocyclic parents ChEBI A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. 0 C8Cl4N2 InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 CRQQGFGUEAVUIL-UHFFFAOYSA-N 265.90988 263.88156 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl Beilstein:1978326 CAS:1897-45-6 KEGG:C11037 PMID:11016668 PMID:14575671 PMID:17482661 PMID:23116300 PMID:23866729 PMID:24455968 PMID:24984836 PMID:24990551 PPDB:150 Patent:US3290353 Patent:US3652637 Pesticides:chlorothalonil Reaxys:1978326 Wikipedia:Chlorothalonil 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile Chlorothalonil chlorothalonil chebi_ontology 1,3-Dicyanotetrachlorobenzene 2,4,5,6-Tetrachloro-3-cyanobenzonitrile Daconil TPN Tetrachloroisophthalonitrile m-TCPN m-Tetrachlorophthalonitrile meta-TCPN meta-Tetrachlorophthalodinitrile CHEBI:3639 chlorothalonil Beilstein:1978326 Beilstein CAS:1897-45-6 KEGG COMPOUND CAS:1897-45-6 NIST Chemistry WebBook PMID:11016668 Europe PMC PMID:14575671 Europe PMC PMID:17482661 Europe PMC PMID:23116300 Europe PMC PMID:23866729 Europe PMC PMID:24455968 Europe PMC PMID:24984836 Europe PMC PMID:24990551 Europe PMC Pesticides:chlorothalonil Alan Wood's Pesticides Reaxys:1978326 Reaxys 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile IUPAC Chlorothalonil KEGG_COMPOUND chlorothalonil UniProt 1,3-Dicyanotetrachlorobenzene ChemIDplus 2,4,5,6-Tetrachloro-3-cyanobenzonitrile ChemIDplus Daconil KEGG_COMPOUND TPN KEGG_COMPOUND Tetrachloroisophthalonitrile KEGG_COMPOUND m-TCPN ChemIDplus m-Tetrachlorophthalonitrile ChemIDplus meta-TCPN ChemIDplus meta-Tetrachlorophthalodinitrile ChemIDplus chebi_ontology zinc group coordination compounds zinc group coordination entities CHEBI:36563 zinc group coordination entity zinc group coordination compounds ChEBI zinc group coordination entities ChEBI chebi_ontology zinc coordination compounds zinc coordination entities CHEBI:36566 zinc coordination entity zinc coordination compounds ChEBI zinc coordination entities ChEBI Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives. carbonyl compounds chebi_ontology CHEBI:36586 carbonyl compound carbonyl compounds IUPAC Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element. oxo compounds chebi_ontology organic oxo compounds CHEBI:36587 organic oxo compound oxo compounds IUPAC organic oxo compounds ChEBI A mancude organic heterobicyclic parent that is a heterocyclic organic compound comprising fused benzene and imidazole rings. 0 C7H6N2 118.136 118.05310 Wikipedia:Benzimidazole benzimidazole chebi_ontology Benzimidazol CHEBI:36622 benzimidazole benzimidazole IUPAC Benzimidazol ChEBI 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5H,4H2 VSTRESXSGAUGKC-UHFFFAOYSA-N 118.13602 118.05310 C1C=CC=C2N=CN=C12 4H-benzimidazole chebi_ontology CHEBI:36623 4H-benzimidazole 4H-benzimidazole IUPAC Any one of eight organic heterobicyclic compounds that have a naphthalene skeleton in which two of the carbons are replaced by nitrogens. A 'closed' class. 0 C8H6N2 130.147 130.05310 Wikipedia:Naphthyridine naphthyridine chebi_ontology CHEBI:36624 naphthyridine naphthyridine IUPAC A naphthyridine in which the nitrogens are situated at positions 1 and 8. 0 C8H6N2 InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H FLBAYUMRQUHISI-UHFFFAOYSA-N 130.14660 130.05310 c1cnc2ncccc2c1 Beilstein:109347 CAS:254-60-4 Gmelin:27124 Reaxys:109347 1,8-naphthyridine chebi_ontology 1,8-diazanaphthalene 1,8-pyridopyridine napy CHEBI:36628 1,8-naphthyridine Beilstein:109347 Beilstein CAS:254-60-4 ChemIDplus CAS:254-60-4 NIST Chemistry WebBook Gmelin:27124 Gmelin Reaxys:109347 Reaxys 1,8-naphthyridine IUPAC 1,8-diazanaphthalene NIST_Chemistry_WebBook 1,8-pyridopyridine NIST_Chemistry_WebBook napy IUPAC 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2 NLMVLMCSXDIGSW-UHFFFAOYSA-N 118.13602 118.05310 C1N=c2ccccc2=N1 2H-benzimidazole chebi_ontology CHEBI:36639 2H-benzimidazole 2H-benzimidazole IUPAC 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H VRKAZVNMMPXRKG-UHFFFAOYSA-N 118.13602 118.05310 C1=CC2N=CN=C2C=C1 3aH-benzimidazole chebi_ontology CHEBI:36641 3aH-benzimidazole 3aH-benzimidazole IUPAC An organochlorine compound is a compound containing at least one carbon-chlorine bond. 0 ClR 35.453 34.96885 Cl[*] MetaCyc:Chlorides Wikipedia:Organochloride organochlorine compound chebi_ontology an organochlorine molecule chloroorganic compounds chlororganische Verbindungen organochloride organochloride compound organochloride compounds organochlorides organochlorine compounds CHEBI:36683 organochlorine compound organochlorine compound ChEBI an organochlorine molecule UniProt chloroorganic compounds ChEBI chlororganische Verbindungen ChEBI organochloride ChEBI organochloride compound ChEBI organochloride compounds ChEBI organochlorides ChEBI organochlorine compounds ChEBI heterotricyclic compound heterotricyclic compounds chebi_ontology heterotricyclic compounds CHEBI:36688 heterotricyclic compound heterotricyclic compound ChEBI heterotricyclic compounds IUPAC heterotricyclic compounds ChEBI Any compound having phosphocholine as part of its structure. chebi_ontology O-phosphocholines choline phosphates phosphorylcholines CHEBI:36700 phosphocholines O-phosphocholines ChEBI choline phosphates ChEBI phosphorylcholines ChEBI Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups. aminoquinoline chebi_ontology aminoquinolines CHEBI:36709 aminoquinoline aminoquinoline ChEBI aminoquinolines ChEBI A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. 0 C15H32 InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3 YFHFHLSMISYUAQ-UHFFFAOYSA-N 212.41458 212.25040 CCC(C)CCCC(C)CCCC(C)C Beilstein:1719672 CAS:3891-98-3 LIPID_MAPS_instance:LMPR0103010000 MetaCyc:CPD-8764 Patent:US2008098645 Patent:US7399323 Reaxys:1719672 2,6,10-trimethyldodecane farnesane chebi_ontology Farnesan CHEBI:36756 farnesane Beilstein:1719672 Beilstein CAS:3891-98-3 ChemIDplus CAS:3891-98-3 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR0103010000 LIPID MAPS Reaxys:1719672 Reaxys 2,6,10-trimethyldodecane IUPAC farnesane NIST_Chemistry_WebBook Farnesan NIST_Chemistry_WebBook farnesane sesquiterpenoid chebi_ontology farnesane sesquiterpenoids CHEBI:36757 farnesane sesquiterpenoid farnesane sesquiterpenoid ChEBI farnesane sesquiterpenoids ChEBI A bicyclic compound in which all the ring atoms are carbon. chebi_ontology carbobicyclic compounds CHEBI:36785 carbobicyclic compound carbobicyclic compounds ChEBI O-organyl oximes R2C=NOR' (R' =/= H). 0 CNOR3 42.017 41.99799 [*]O\N=C(/[*])[*] oxime O-ether oxime O-ethers chebi_ontology O-substituted oximes oxime O-ethers oxime ether oxime ethers CHEBI:36816 oxime O-ether oxime O-ether IUPAC oxime O-ethers IUPAC O-substituted oximes ChEBI oxime O-ethers ChEBI oxime ether ChEBI oxime ethers ChEBI Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. ring assemblies ring assembly chebi_ontology CHEBI:36820 ring assembly ring assemblies IUPAC ring assembly IUPAC pseudohalide group chebi_ontology halogenoid group pseudohalido group pseudohalo groups pseudohalogen group CHEBI:36823 pseudohalo group pseudohalide group IUPAC halogenoid group ChEBI pseudohalido group ChEBI pseudohalo groups ChEBI pseudohalogen group IUPAC pseudohalide ions chebi_ontology pseudohalide anions pseudohalides pseudohalogen anion pseudohalogen ion CHEBI:36828 pseudohalide anion pseudohalide ions IUPAC pseudohalide anions ChEBI pseudohalides ChEBI pseudohalogen anion ChEBI pseudohalogen ion ChEBI chebi_ontology polyatomic monoanions CHEBI:36829 polyatomic monoanion polyatomic monoanions ChEBI -1 chebi_ontology monoanions CHEBI:36830 monoanion monoanions ChEBI Any hydroxy steroid carrying a hydroxy group at position 3. chebi_ontology 3-hydroxy steroids CHEBI:36834 3-hydroxy steroid 3-hydroxy steroids ChEBI A 3-hydroxy steroid in which the 3-hydroxy substituent is in the alpha-position. 0 C19H31OR 275.450 275.23749 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@H](C4)O)C CHEBI:71194 MetaCyc:3-alpha-Hydroxysteroids PMID:11514561 chebi_ontology 3alpha-hydroxy steroids 3alpha-hydroxysteroid 3alpha-hydroxysteroids a 3alpha-hydroxysteroid CHEBI:36835 3alpha-hydroxy steroid PMID:11514561 SUBMITTER 3alpha-hydroxy steroids ChEBI 3alpha-hydroxysteroid ChEBI 3alpha-hydroxysteroids ChEBI a 3alpha-hydroxysteroid UniProt chebi_ontology 11-hydroxy steroids CHEBI:36841 11-hydroxy steroid 11-hydroxy steroids ChEBI 0 CHN InChI=1S/CHN/c1-2/h2H QIUBLANJVAOHHY-UHFFFAOYSA-N 27.02538 27.01090 [C-]#[NH+] Beilstein:2069401 CAS:6914-07-4 Gmelin:113 hydrogen isocyanide nitriliomethanide chebi_ontology CNH HN(+)#C(-) HNC hydroisocyanic acid CHEBI:36856 hydrogen isocyanide Beilstein:2069401 Beilstein CAS:6914-07-4 NIST Chemistry WebBook Gmelin:113 Gmelin hydrogen isocyanide NIST_Chemistry_WebBook nitriliomethanide IUPAC CNH ChEBI HN(+)#C(-) IUPAC HNC NIST_Chemistry_WebBook hydroisocyanic acid ChEBI chalcogen hydride chebi_ontology chalcogen hydrides CHEBI:36902 chalcogen hydride chalcogen hydride ChEBI chalcogen hydrides ChEBI chebi_ontology inorganic ions CHEBI:36914 inorganic ion inorganic ions ChEBI chebi_ontology inorganic cations CHEBI:36915 inorganic cation inorganic cations ChEBI A monoatomic or polyatomic species having one or more elementary charges of the proton. CHEBI:23058 CHEBI:3473 KEGG:C01373 Cation cation chebi_ontology Kation Kationen cationes cations CHEBI:36916 cation Cation KEGG_COMPOUND cation ChEBI cation IUPAC Kation ChEBI Kationen ChEBI cationes ChEBI cations ChEBI chalcocarbonic acid chalcocarbonic acids chebi_ontology chalcocarbonic acids CHEBI:36961 chalcocarbonic acid chalcocarbonic acid ChEBI chalcocarbonic acids IUPAC chalcocarbonic acids ChEBI An organochalcogen compound is a compound containing at least one carbon-chalcogen bond. organochalcogen compound chebi_ontology organochalcogen compounds CHEBI:36962 organochalcogen compound organochalcogen compound ChEBI organochalcogen compounds ChEBI An organochalcogen compound containing at least one carbon-oxygen bond. PMID:17586126 organooxygen compound chebi_ontology organooxygen compounds CHEBI:36963 organooxygen compound PMID:17586126 Europe PMC organooxygen compound ChEBI organooxygen compounds ChEBI A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid. CHEBI:13215 CHEBI:13663 CHEBI:7656 KEGG:C00215 Wikipedia:Nucleotide Nucleotide chebi_ontology nucleotides CHEBI:36976 nucleotide Nucleotide KEGG_COMPOUND nucleotides ChEBI chebi_ontology cyclic purine nucleotides CHEBI:36982 cyclic purine nucleotide cyclic purine nucleotides ChEBI chebi_ontology CHEBI:36988 5'-deoxyribonucleoside amino-acid anion chebi_ontology amino acid anions amino-acid anions CHEBI:37022 amino-acid anion amino-acid anion ChEBI amino acid anions ChEBI amino-acid anions ChEBI An organoiodine compound is a compound containing at least one carbon-iodine bond. 0 IR 126.904 126.90447 *I MetaCyc:Organoiodine-Compounds Wikipedia:Organoiodine_compound organoiodine compound chebi_ontology organoiodine compounds CHEBI:37142 organoiodine compound organoiodine compound ChEBI organoiodine compounds ChEBI An organofluorine compound is a compound containing at least one carbon-fluorine bond. 0 FR 18.998 18.99840 *F MetaCyc:Fluorides organofluorine compound chebi_ontology fluoroorganic compound fluoroorganic compounds fluoroorganics fluororganische Verbindungen organofluorine compounds CHEBI:37143 organofluorine compound organofluorine compound ChEBI fluoroorganic compound ChEBI fluoroorganic compounds ChEBI fluoroorganics ChEBI fluororganische Verbindungen ChEBI organofluorine compounds ChEBI Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16). CHEBI:62670 Wikipedia:Phosphoprotein_phosphatase Wikipedia:Protein_serine/threonine_phosphatase chebi_ontology 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors Aspergillus awamori acid protein phosphatase inhibitor Aspergillus awamori acid protein phosphatase inhibitors BCKDH phosphatase inhibitor BCKDH phosphatase inhibitors EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors EC 3.1.3.16 inhibitor EC 3.1.3.16 inhibitors HMG-CoA reductase phosphatase inhibitor HMG-CoA reductase phosphatase inhibitors branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors calcineurin inhibitor calcineurin inhibitors casein phosphatase inhibitor casein phosphatase inhibitors phosphatase 2A inhibitor phosphatase 2A inhibitors phosphatase 2B inhibitor phosphatase 2B inhibitors phosphatase C-II inhibitor phosphatase C-II inhibitors phosphatase H-II inhibitor phosphatase H-II inhibitors phosphatase I inhibitor phosphatase I inhibitors phosphatase IB inhibitor phosphatase IB inhibitors phosphatase II inhibitor phosphatase II inhibitors phosphatase III inhibitor phosphatase III inhibitors phosphatase IV inhibitor phosphatase IV inhibitors phosphatase SP inhibitor phosphatase SP inhibitors phosphoprotein phosphatase (EC 3.1.3.16) inhibitor phosphoprotein phosphatase (EC 3.1.3.16) inhibitors phosphoprotein phosphatase inhibitor phosphoprotein phosphatase inhibitors phosphoprotein phosphohydrolase inhibitor phosphoprotein phosphohydrolase inhibitors phosphopyruvate dehydrogenase phosphatase inhibitor phosphopyruvate dehydrogenase phosphatase inhibitors phosphospectrin phosphatase inhibitor phosphospectrin phosphatase inhibitors polycation modulated (PCM-) phosphatase inhibitor polycation modulated (PCM-) phosphatase inhibitors protein D phosphatase inhibitor protein D phosphatase inhibitors protein phosphatase inhibitor protein phosphatase inhibitors protein phosphatase-1 inhibitor protein phosphatase-1 inhibitors protein phosphatase-2A inhibitor protein phosphatase-2A inhibitors protein phosphatase-2B inhibitor protein phosphatase-2B inhibitors protein phosphatase-2C inhibitor protein phosphatase-2C inhibitors protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors protein serine/threonine phosphatase inhibitor protein serine/threonine phosphatase inhibitors serine/threonine specific protein phosphatase inhibitor serine/threonine specific protein phosphatase inhibitors CHEBI:37153 EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor ChEBI 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors ChEBI Aspergillus awamori acid protein phosphatase inhibitor ChEBI Aspergillus awamori acid protein phosphatase inhibitors ChEBI BCKDH phosphatase inhibitor ChEBI BCKDH phosphatase inhibitors ChEBI EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors ChEBI EC 3.1.3.16 inhibitor ChEBI EC 3.1.3.16 inhibitors ChEBI HMG-CoA reductase phosphatase inhibitor ChEBI HMG-CoA reductase phosphatase inhibitors ChEBI branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor ChEBI branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors ChEBI calcineurin inhibitor ChEBI calcineurin inhibitors ChEBI casein phosphatase inhibitor ChEBI casein phosphatase inhibitors ChEBI phosphatase 2A inhibitor ChEBI phosphatase 2A inhibitors ChEBI phosphatase 2B inhibitor ChEBI phosphatase 2B inhibitors ChEBI phosphatase C-II inhibitor ChEBI phosphatase C-II inhibitors ChEBI phosphatase H-II inhibitor ChEBI phosphatase H-II inhibitors ChEBI phosphatase I inhibitor ChEBI phosphatase I inhibitors ChEBI phosphatase IB inhibitor ChEBI phosphatase IB inhibitors ChEBI phosphatase II inhibitor ChEBI phosphatase II inhibitors ChEBI phosphatase III inhibitor ChEBI phosphatase III inhibitors ChEBI phosphatase IV inhibitor ChEBI phosphatase IV inhibitors ChEBI phosphatase SP inhibitor ChEBI phosphatase SP inhibitors ChEBI phosphoprotein phosphatase (EC 3.1.3.16) inhibitor ChEBI phosphoprotein phosphatase (EC 3.1.3.16) inhibitors ChEBI phosphoprotein phosphatase inhibitor ChEBI phosphoprotein phosphatase inhibitors ChEBI phosphoprotein phosphohydrolase inhibitor ChEBI phosphoprotein phosphohydrolase inhibitors ChEBI phosphopyruvate dehydrogenase phosphatase inhibitor ChEBI phosphopyruvate dehydrogenase phosphatase inhibitors ChEBI phosphospectrin phosphatase inhibitor ChEBI phosphospectrin phosphatase inhibitors ChEBI polycation modulated (PCM-) phosphatase inhibitor ChEBI polycation modulated (PCM-) phosphatase inhibitors ChEBI protein D phosphatase inhibitor ChEBI protein D phosphatase inhibitors ChEBI protein phosphatase inhibitor ChEBI protein phosphatase inhibitors ChEBI protein phosphatase-1 inhibitor ChEBI protein phosphatase-1 inhibitors ChEBI protein phosphatase-2A inhibitor ChEBI protein phosphatase-2A inhibitors ChEBI protein phosphatase-2B inhibitor ChEBI protein phosphatase-2B inhibitors ChEBI protein phosphatase-2C inhibitor ChEBI protein phosphatase-2C inhibitors ChEBI protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors ChEBI protein serine/threonine phosphatase inhibitor ChEBI protein serine/threonine phosphatase inhibitors ChEBI serine/threonine specific protein phosphatase inhibitor ChEBI serine/threonine specific protein phosphatase inhibitors ChEBI chebi_ontology organic hydrides CHEBI:37175 organic hydride organic hydrides ChEBI mononuclear parent hydrides chebi_ontology mononuclear hydride mononuclear hydrides CHEBI:37176 mononuclear parent hydride mononuclear parent hydrides IUPAC mononuclear hydride ChEBI mononuclear hydrides IUPAC A polyol that contains 6 hydroxy groups. hexol chebi_ontology hexols CHEBI:37206 hexol hexol IUPAC hexols ChEBI chebi_ontology CHEBI:37246 elemental sodium chebi_ontology CHEBI:37247 elemental potassium The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. 0 C38H69NO13 InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N 747.95340 747.47689 [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC CHEBI:41676 CHEBI:442148 CHEBI:670147 Beilstein:3581974 CAS:81103-11-9 DrugBank:DB01211 Drug_Central:668 KEGG:C06912 KEGG:D00276 LINCS:LSM-5606 LIPID_MAPS_instance:LMPK04000014 PDBeChem:CTY PMID:16387493 Patent:EP41355 Patent:US4331803 Reaxys:3581974 CLARITHROMYCIN Clarithromycin O(6)-methylerythromycin chebi_ontology 6-O-methylerythromycin 6-O-methylerythromycin A CLA clarithromycin clarithromycina clarithromycine clarithromycinum CHEBI:3732 clarithromycin Beilstein:3581974 Beilstein CAS:81103-11-9 ChemIDplus CAS:81103-11-9 KEGG COMPOUND Drug_Central:668 DrugCentral LIPID_MAPS_instance:LMPK04000014 LIPID MAPS PMID:16387493 ChEMBL Reaxys:3581974 Reaxys CLARITHROMYCIN PDBeChem Clarithromycin KEGG_COMPOUND O(6)-methylerythromycin IUPAC 6-O-methylerythromycin ChemIDplus 6-O-methylerythromycin A ChemIDplus CLA DrugBank clarithromycin ChemIDplus clarithromycina ChemIDplus clarithromycine ChemIDplus clarithromycinum ChemIDplus chebi_ontology CHEBI:37404 elemental copper Any ether in which the oxygen atom forms part of a ring. CHEBI:37406 cyclic ether cyclic ethers epoxy compounds chebi_ontology cyclic ethers epoxy compounds CHEBI:37407 cyclic ether cyclic ether IUPAC cyclic ethers IUPAC epoxy compounds IUPAC cyclic ethers ChEBI epoxy compounds ChEBI An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6). Wikipedia:RNA_polymerase chebi_ontology C RNA formation factors inhibitor C RNA formation factors inhibitors C ribonucleic acid formation factors inhibitor C ribonucleic acid formation factors inhibitors DNA-dependent RNA nucleotidyltransferase inhibitor DNA-dependent RNA nucleotidyltransferase inhibitors DNA-dependent RNA polymerase inhibitor DNA-dependent RNA polymerase inhibitors DNA-dependent ribonucleate nucleotidyltransferase inhibitor DNA-dependent ribonucleate nucleotidyltransferase inhibitors DNA-directed RNA polymerase inhibitor DNA-directed RNA polymerase inhibitors DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors EC 2.7.7.6 (RNA polymerase) inhibitors EC 2.7.7.6 inhibitor EC 2.7.7.6 inhibitors RNA nucleotidyltransferase (DNA-directed) inhibitor RNA nucleotidyltransferase (DNA-directed) inhibitors RNA nucleotidyltransferase inhibitor RNA nucleotidyltransferase inhibitors RNA polymerase (EC 2.7.7.6) inhibitor RNA polymerase (EC 2.7.7.6) inhibitors RNA polymerase I inhibitor RNA polymerase I inhibitors RNA polymerase II inhibitor RNA polymerase II inhibitors RNA polymerase III inhibitor RNA polymerase III inhibitors RNA polymerase inhibitor RNA polymerase inhibitors RNA transcriptase inhibitor RNA transcriptase inhibitors deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors directed RNA polymerase inhibitor nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors ribonucleate nucleotidyltransferase inhibitor ribonucleate nucleotidyltransferase inhibitors ribonucleate polymerase inhibitor ribonucleate polymerase inhibitors ribonucleic acid nucleotidyltransferase inhibitor ribonucleic acid nucleotidyltransferase inhibitors ribonucleic acid polymerase inhibitor ribonucleic acid polymerase inhibitors ribonucleic acid transcriptase inhibitor ribonucleic acid transcriptase inhibitors ribonucleic polymerase inhibitor ribonucleic polymerase inhibitors ribonucleic transcriptase inhibitor ribonucleic transcriptase inhibitors transcriptase inhibitor transcriptase inhibitors CHEBI:37416 EC 2.7.7.6 (RNA polymerase) inhibitor C RNA formation factors inhibitor ChEBI C RNA formation factors inhibitors ChEBI C ribonucleic acid formation factors inhibitor ChEBI C ribonucleic acid formation factors inhibitors ChEBI DNA-dependent RNA nucleotidyltransferase inhibitor ChEBI DNA-dependent RNA nucleotidyltransferase inhibitors ChEBI DNA-dependent RNA polymerase inhibitor ChEBI DNA-dependent RNA polymerase inhibitors ChEBI DNA-dependent ribonucleate nucleotidyltransferase inhibitor ChEBI DNA-dependent ribonucleate nucleotidyltransferase inhibitors ChEBI DNA-directed RNA polymerase inhibitor ChEBI DNA-directed RNA polymerase inhibitors ChEBI DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor ChEBI DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors ChEBI EC 2.7.7.6 (RNA polymerase) inhibitors ChEBI EC 2.7.7.6 inhibitor ChEBI EC 2.7.7.6 inhibitors ChEBI RNA nucleotidyltransferase (DNA-directed) inhibitor ChEBI RNA nucleotidyltransferase (DNA-directed) inhibitors ChEBI RNA nucleotidyltransferase inhibitor ChEBI RNA nucleotidyltransferase inhibitors ChEBI RNA polymerase (EC 2.7.7.6) inhibitor ChEBI RNA polymerase (EC 2.7.7.6) inhibitors ChEBI RNA polymerase I inhibitor ChEBI RNA polymerase I inhibitors ChEBI RNA polymerase II inhibitor ChEBI RNA polymerase II inhibitors ChEBI RNA polymerase III inhibitor ChEBI RNA polymerase III inhibitors ChEBI RNA polymerase inhibitor ChEBI RNA polymerase inhibitors ChEBI RNA transcriptase inhibitor ChEBI RNA transcriptase inhibitors ChEBI deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor ChEBI deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors ChEBI directed RNA polymerase inhibitor ChEBI nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor ChEBI nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors ChEBI ribonucleate nucleotidyltransferase inhibitor ChEBI ribonucleate nucleotidyltransferase inhibitors ChEBI ribonucleate polymerase inhibitor ChEBI ribonucleate polymerase inhibitors ChEBI ribonucleic acid nucleotidyltransferase inhibitor ChEBI ribonucleic acid nucleotidyltransferase inhibitors ChEBI ribonucleic acid polymerase inhibitor ChEBI ribonucleic acid polymerase inhibitors ChEBI ribonucleic acid transcriptase inhibitor ChEBI ribonucleic acid transcriptase inhibitors ChEBI ribonucleic polymerase inhibitor ChEBI ribonucleic polymerase inhibitors ChEBI ribonucleic transcriptase inhibitor ChEBI ribonucleic transcriptase inhibitors ChEBI transcriptase inhibitor ChEBI transcriptase inhibitors ChEBI A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic. 0 C18H33ClN2O5S InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1 KDLRVYVGXIQJDK-NOWPCOIGSA-N 424.98380 424.17987 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O CHEBI:47331 CAS:18323-44-9 DrugBank:DB01190 HMDB:HMDB0015321 KEGG:C06914 KEGG:C13684 KEGG:D00277 KEGG:D02132 PMID:11691576 PMID:18695329 PMID:24310902 Reaxys:5624049 Wikipedia:Clindamycin Clindamycin methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside chebi_ontology 7(S)-Chloro-7-deoxylincomycin 7-CDL Cleocin (TN) Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside CHEBI:3745 clindamycin CAS:18323-44-9 ChemIDplus CAS:18323-44-9 KEGG COMPOUND PMID:11691576 Europe PMC PMID:18695329 Europe PMC PMID:24310902 Europe PMC Reaxys:5624049 Reaxys Clindamycin KEGG_COMPOUND methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside IUPAC 7(S)-Chloro-7-deoxylincomycin ChemIDplus 7-CDL ChemIDplus Cleocin (TN) KEGG_DRUG Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside ChemIDplus 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients. 0 C27H22Cl2N4 InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3 WDQPAMHFFCXSNU-UHFFFAOYSA-N 473.39600 472.12215 CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 CHEBI:355347 Beilstein:8168151 CAS:2030-63-9 DrugBank:DB00845 KEGG:C06915 KEGG:D00278 LINCS:LSM-5669 PMID:17210775 PMID:3279207 Patent:US2948726 N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine chebi_ontology (4-Chloro-phenyl)-[5-(4-chloro-phenyl)-3-isopropylimino-3,5-dihydro-phenazin-2-yl]-amine 3-(p-chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine 3-(p-chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin N,5-bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine clofazimina clofazimine clofaziminum CHEBI:3749 clofazimine Beilstein:8168151 Beilstein CAS:2030-63-9 ChemIDplus CAS:2030-63-9 KEGG COMPOUND PMID:17210775 ChEMBL PMID:3279207 ChEMBL N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine IUPAC (4-Chloro-phenyl)-[5-(4-chloro-phenyl)-3-isopropylimino-3,5-dihydro-phenazin-2-yl]-amine ChEMBL 3-(p-chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine ChemIDplus 3-(p-chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin ChemIDplus N,5-bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine ChEMBL clofazimina ChemIDplus clofazimine ChemIDplus clofaziminum ChemIDplus An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid). CHEBI:13800 CHEBI:13801 CHEBI:22209 CHEBI:2426 KEGG:C00174 Acid acid chebi_ontology Saeure Saeuren acide acido acids CHEBI:37527 acid Acid KEGG_COMPOUND acid IUPAC Saeure ChEBI Saeuren ChEBI acide IUPAC acido ChEBI acids ChEBI Derivatives of diazene with the general structure R-N=N-R'. azo compounds chebi_ontology azo compounds CHEBI:37533 azo compound azo compounds IUPAC azo compounds ChEBI A molecular entity consisting of two or more chemical elements. chebi_ontology chemical compound heteroatomic molecular entities CHEBI:37577 heteroatomic molecular entity chemical compound ChEBI heteroatomic molecular entities ChEBI Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements. Wikipedia:Halide chebi_ontology halides CHEBI:37578 halide halides ChEBI An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom. 0 CNOR3 42.01680 41.99799 [*]C(=O)N([*])[*] CHEBI:35354 CHEBI:35355 carboxamides chebi_ontology carboxamides primary carboxamide CHEBI:37622 carboxamide carboxamides IUPAC carboxamides ChEBI primary carboxamide ChEBI 0 C6H12O6 180.156 180.06339 Beilstein:1724626 CAS:921-60-8 L-gluco-hexose L-glucose chebi_ontology L(-)-glucose CHEBI:37624 L-glucose Beilstein:1724626 ChemIDplus CAS:921-60-8 ChemIDplus L-gluco-hexose IUPAC L-glucose IUPAC L(-)-glucose ChemIDplus The L-enantiomer of glucopyranose. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1 WQZGKKKJIJFFOK-ZZWDRFIYSA-N 180.15588 180.06339 OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O Beilstein:2206321 GlyTouCan:G16038XU Reaxys:2206321 L-glucopyranose chebi_ontology WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/ CHEBI:37627 L-glucopyranose Beilstein:2206321 Beilstein Reaxys:2206321 Reaxys L-glucopyranose IUPAC L-glucopyranose UniProt WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/ GlyTouCan A L-glucopyranose with an alpha-configuration at the anomeric position. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m0/s1 WQZGKKKJIJFFOK-MDMQIMBFSA-N 180.15588 180.06339 OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O Beilstein:1907372 GlyTouCan:G15768VA Reaxys:1907372 alpha-L-glucopyranose chebi_ontology WURCS=2.0/1,1,0/[a1211h-1a_1-5]/1/ CHEBI:37630 alpha-L-glucose Beilstein:1907372 Beilstein Reaxys:1907372 Reaxys alpha-L-glucopyranose IUPAC WURCS=2.0/1,1,0/[a1211h-1a_1-5]/1/ GlyTouCan 0 C6H12O6 180.156 180.06339 glucopyranose chebi_ontology CHEBI:37661 glucopyranose glucopyranose IUPAC A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases). Wikipedia:Protease_inhibitor_(biology) chebi_ontology protease inhibitors CHEBI:37670 protease inhibitor protease inhibitors ChEBI An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases. chebi_ontology protein kinase inhibitors CHEBI:37699 protein kinase inhibitor protein kinase inhibitors ChEBI CHEBI:26019 chebi_ontology CHEBI:37734 phosphoric ester A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. 0 C8H11NO3S InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 RBKMMJSQKNKNEV-RITPCOANSA-N 201.24388 201.04596 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2 Beilstein:4677775 CAS:87-53-6 Reaxys:4677775 2,2-dimethylpenam-3alpha-carboxylic acid penicillanic acid chebi_ontology (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CHEBI:37806 penicillanic acid Beilstein:4677775 Beilstein CAS:87-53-6 ChemIDplus Reaxys:4677775 Reaxys 2,2-dimethylpenam-3alpha-carboxylic acid IUPAC penicillanic acid ChemIDplus (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC sulfuric acid derivative chebi_ontology sulfuric acid derivatives CHEBI:37826 sulfuric acid derivative sulfuric acid derivative ChEBI sulfuric acid derivatives ChEBI A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid. carboacyl groups carboxylic acyl group chebi_ontology carboxylic acyl groups CHEBI:37838 carboacyl group carboacyl groups IUPAC carboxylic acyl group IUPAC carboxylic acyl groups IUPAC A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. CHEBI:26158 Wikipedia:Phytohormone chebi_ontology phytohormone phytohormones plant growth factor plant growth factors plant growth hormone plant growth hormones plant hormones CHEBI:37848 plant hormone phytohormone ChEBI phytohormones ChEBI plant growth factor ChEBI plant growth factors ChEBI plant growth hormone ChEBI plant growth hormones ChEBI plant hormones ChEBI chebi_ontology organoammonium sulfates CHEBI:37852 organoammonium sulfate salt organoammonium sulfates ChEBI Any coumarin carrying at least one hydroxy substituent. CHEBI:24691 CHEBI:24692 chebi_ontology hydroxycoumarins CHEBI:37912 hydroxycoumarin hydroxycoumarins ChEBI A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa. 0 C52H97N16O13R 1154.428 1153.74210 C(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)NCC1)[C@@H](C)O)=O)CCN)=O)CCN)=O)CC(C)C)=O)CC(C)C)=O)CCN)=O)=O)CCN)=O)[C@@H](C)O)=O)CCN)=O)CCC[C@@H](C*)C CHEBI:34651 CHEBI:472593 CHEBI:560465 CHEBI:566816 CHEBI:596826 CHEBI:597111 CHEBI:600596 CHEBI:659853 CAS:1066-17-7 CAS:1264-72-8 DrugBank:DB00803 KEGG:C13768 KEGG:D02138 PMID:15825037 PMID:16931410 PMID:17145797 PMID:17562800 PMID:17576842 PMID:17606684 PMID:17620384 PMID:17646423 PMID:17846127 PMID:17876007 PMID:18625681 PMID:25322351 PMID:26252512 PMID:26415906 PMID:26488563 PMID:26730548 PMID:27160031 PMID:27411324 PMID:27480806 PMID:27524102 PMID:27552304 PMID:27684296 PMID:27743779 PMID:27790432 PMID:27793510 PMID:27891118 PMID:27917926 PMID:28018876 PMID:28029008 PMID:28215823 PMID:28257552 PMID:28267594 PMID:28267779 PMID:28300674 PMID:28315729 PMID:28321410 Colistin chebi_ontology colistina colistine colistinum polymyxin E CHEBI:37943 colistin CAS:1066-17-7 ChemIDplus CAS:1264-72-8 ChemIDplus CAS:1264-72-8 KEGG COMPOUND PMID:15825037 Europe PMC PMID:16931410 Europe PMC PMID:17145797 ChEMBL PMID:17562800 ChEMBL PMID:17576842 ChEMBL PMID:17606684 ChEMBL PMID:17620384 ChEMBL PMID:17646423 ChEMBL PMID:17846127 ChEMBL PMID:17876007 ChEMBL PMID:18625681 Europe PMC PMID:25322351 Europe PMC PMID:26252512 Europe PMC PMID:26415906 Europe PMC PMID:26488563 Europe PMC PMID:26730548 Europe PMC PMID:27160031 Europe PMC PMID:27411324 Europe PMC PMID:27480806 Europe PMC PMID:27524102 Europe PMC PMID:27552304 Europe PMC PMID:27684296 Europe PMC PMID:27743779 Europe PMC PMID:27790432 Europe PMC PMID:27793510 Europe PMC PMID:27891118 Europe PMC PMID:27917926 Europe PMC PMID:28018876 Europe PMC PMID:28029008 Europe PMC PMID:28215823 Europe PMC PMID:28257552 Europe PMC PMID:28267594 Europe PMC PMID:28267779 Europe PMC PMID:28300674 Europe PMC PMID:28315729 Europe PMC PMID:28321410 Europe PMC Colistin ChEMBL colistina ChemIDplus colistine ChemIDplus colistinum ChemIDplus polymyxin E ChemIDplus A spiro compound in which at least one of the cyclic components is an oxygen heterocyle. chebi_ontology oxaspiro compounds CHEBI:37948 oxaspiro compound oxaspiro compounds ChEBI chebi_ontology Farbstoff Farbstoffe colorante colorantes dyes teinture teintures CHEBI:37958 dye Farbstoff ChEBI Farbstoffe ChEBI colorante ChEBI colorantes ChEBI dyes ChEBI teinture ChEBI teintures ChEBI chebi_ontology aminoglycoside sulfate salts CHEBI:38012 aminoglycoside sulfate salt aminoglycoside sulfate salts ChEBI A carbopolyclic compound comprising of three carbocyclic rings. chebi_ontology carbotricyclic compounds CHEBI:38032 carbotricyclic compound carbotricyclic compounds ChEBI A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. chebi_ontology antimalarials CHEBI:38068 antimalarial antimalarials ChEBI A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. chebi_ontology anti-arrhythmia agent antiarrhythmic agent CHEBI:38070 anti-arrhythmia drug anti-arrhythmia agent ChEBI antiarrhythmic agent ChEBI chebi_ontology CHEBI:38099 thiadiazoles Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. chebi_ontology heterocyclic organonitrogen compounds organonitrogen heterocyclic compounds CHEBI:38101 organonitrogen heterocyclic compound heterocyclic organonitrogen compounds ChEBI organonitrogen heterocyclic compounds ChEBI Compounds based on a triazine skeleton. chebi_ontology CHEBI:38102 triazines Any organic heterocyclic compound containing at least one ring oxygen atom. PMID:17134300 chebi_ontology heterocyclic organooxygen compounds organooxygen heterocyclic compounds oxacycles CHEBI:38104 oxacycle PMID:17134300 Europe PMC heterocyclic organooxygen compounds ChEBI organooxygen heterocyclic compounds ChEBI oxacycles ChEBI chebi_ontology heterocyclic organosulfur compounds organosulfur heterocyclic compounds CHEBI:38106 organosulfur heterocyclic compound heterocyclic organosulfur compounds ChEBI organosulfur heterocyclic compounds ChEBI 0 C11H12N2S2 InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14) QYKQWFZDEDFELK-UHFFFAOYSA-N 236.35846 236.04419 CSC(=S)NCc1c[nH]c2ccccc12 Beilstein:3611293 CAS:105748-59-2 methyl (1H-indol-3-ylmethyl)carbamodithioate chebi_ontology Brassinine methyl (1H-indol-3-ylmethyl)dithiocarbamate CHEBI:38119 brassinin Beilstein:3611293 Beilstein CAS:105748-59-2 ChemIDplus methyl (1H-indol-3-ylmethyl)carbamodithioate IUPAC Brassinine ChemIDplus methyl (1H-indol-3-ylmethyl)dithiocarbamate IUPAC Any organonitrogen compound with formula RS-C(=X)NH2 where X = O (monothiocarbamic esters) or S (dithiocarbamic esters), or their N-substituted derivatives. thiocarbamic ester chebi_ontology thiocarbamate thiocarbamates CHEBI:38127 thiocarbamic ester thiocarbamic ester ChEBI thiocarbamate ChEBI thiocarbamates ChEBI Any ester derived from a member of the class of dithiocarbamic acids by formal replacement of the -SH group by -SR, where R is an organyl group. dithiocarbamic ester chebi_ontology carbamodithioates carbamodithioic esters dithiocarbamoates CHEBI:38129 dithiocarbamic ester dithiocarbamic ester ChEBI carbamodithioates ChEBI carbamodithioic esters ChEBI dithiocarbamoates ChEBI Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues. Wikipedia:Lactol lactol lactols chebi_ontology lactols CHEBI:38131 lactol lactol IUPAC lactols IUPAC lactols ChEBI A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. CHEBI:23090 CHEBI:3585 CHEBI:6789 KEGG:C00917 KEGG:C02169 chebi_ontology Chelating agent Metal chelator chelating agents chelators complexon CHEBI:38161 chelator Chelating agent KEGG_COMPOUND Metal chelator KEGG_COMPOUND chelating agents ChEBI chelators ChEBI complexon ChEBI chebi_ontology organic heterotetracyclic compounds CHEBI:38163 organic heterotetracyclic compound organic heterotetracyclic compounds ChEBI chebi_ontology organic heteropentacyclic compounds CHEBI:38164 organic heteropentacyclic compound organic heteropentacyclic compounds ChEBI CHEBI:25429 CHEBI:38075 chebi_ontology organic heteropolycyclic compounds CHEBI:38166 organic heteropolycyclic compound organic heteropolycyclic compounds ChEBI chebi_ontology monocyclic heteroarenes CHEBI:38179 monocyclic heteroarene monocyclic heteroarenes ChEBI chebi_ontology polycyclic heteroarenes CHEBI:38180 polycyclic heteroarene polycyclic heteroarenes ChEBI A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'. chebi_ontology pyridinemonocarboxylates CHEBI:38181 pyridinemonocarboxylate pyridinemonocarboxylates ChEBI A pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid. -1 C6H4NO2 InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/p-1 TWBYWOBDOCUKOW-UHFFFAOYSA-M 122.104 122.02475 C(=O)(C=1C=CN=CC1)[O-] MetaCyc:CPD-13335 pyridine-4-carboxylate chebi_ontology 4-picolinate 4-pyridinecarboxylate gamma-picolinate CHEBI:38186 isonicotinate pyridine-4-carboxylate IUPAC 4-picolinate MetaCyc 4-pyridinecarboxylate MetaCyc gamma-picolinate MetaCyc One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. chebi_ontology calcium channel antagonist calcium channel antagonists calcium channel blockers CHEBI:38215 calcium channel blocker calcium channel antagonist ChEBI calcium channel antagonists ChEBI calcium channel blockers ChEBI -2 C32H22N6O6S2 InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2 HFHIDKQMGIGARX-UHFFFAOYSA-L 650.68592 650.10532 Nc1c(cc(c2ccccc12)S([O-])(=O)=O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1cc(c2ccccc2c1N)S([O-])(=O)=O Beilstein:1838279 Gmelin:340935 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) chebi_ontology CHEBI:38216 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) Beilstein:1838279 Beilstein Gmelin:340935 Gmelin 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) IUPAC 0 C32H24N6O6S2 InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44) HFHIDKQMGIGARX-UHFFFAOYSA-N 652.70180 652.11987 Nc1c(cc(c2ccccc12)S(O)(=O)=O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1cc(c2ccccc2c1N)S(O)(=O)=O CHEBI:291121 Beilstein:741249 Gmelin:287844 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid) chebi_ontology congo red CHEBI:38217 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid) Beilstein:741249 Beilstein Gmelin:287844 Gmelin 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid) IUPAC congo red ChEMBL 0 C8H4N2 InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H LAQPNDIUHRHNCV-UHFFFAOYSA-N 128.13084 128.03745 N#Cc1cccc(c1)C#N Beilstein:2038364 CAS:626-17-5 benzene-1,3-dicarbonitrile chebi_ontology 1,3-Benzenedicarbonitrile 1,3-Dicyanobenzene 3-Cyanobenzonitrile IPN Isophthalodinitrile m-Dicyanobenzene CHEBI:38218 isophthalonitrile Beilstein:2038364 Beilstein CAS:626-17-5 ChemIDplus CAS:626-17-5 NIST Chemistry WebBook benzene-1,3-dicarbonitrile IUPAC 1,3-Benzenedicarbonitrile NIST_Chemistry_WebBook 1,3-Dicyanobenzene ChemIDplus 3-Cyanobenzonitrile ChemIDplus IPN NIST_Chemistry_WebBook Isophthalodinitrile NIST_Chemistry_WebBook m-Dicyanobenzene ChemIDplus Any toxin produced by a plant. chebi_ontology phytotoxins CHEBI:38231 phytotoxin phytotoxins ChEBI Any of a class of heterocyclic amines having a saturated five-membered ring. CHEBI:26922 CHEBI:38191 chebi_ontology CHEBI:38260 pyrrolidines chebi_ontology CHEBI:38261 imidazolidines chebi_ontology azabicycloalkanes CHEBI:38295 azabicycloalkane azabicycloalkanes ChEBI chebi_ontology CHEBI:38298 benzodioxoles chebi_ontology diazolidines CHEBI:38304 diazolidine diazolidines ChEBI chebi_ontology cephems CHEBI:38311 cephem cephems ChEBI Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure). chebi_ontology CHEBI:38313 diazines chebi_ontology CHEBI:38314 pyrazines chebi_ontology CHEBI:38329 oxazolidines A pyrimidine carrying one or more oxo substituents. chebi_ontology pyrimidones CHEBI:38337 pyrimidone pyrimidones ChEBI A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. chebi_ontology aminopyrimidines CHEBI:38338 aminopyrimidine aminopyrimidines ChEBI CHEBI:26949 CHEBI:38417 1,3-thiazoles chebi_ontology CHEBI:38418 1,3-thiazoles 1,3-thiazoles ChEBI chebi_ontology 1-benzopyrans CHEBI:38443 1-benzopyran 1-benzopyrans ChEBI chebi_ontology chromenones CHEBI:38445 chromenone chromenones ChEBI chebi_ontology CHEBI:38496 electron-transport chain inhibitor chebi_ontology CHEBI:38497 respiratory-chain inhibitor chebi_ontology mitochondrial NADH dehydrogenase inhibitor mitochondrial complex I inhibitor mitochondrial complex I inhibitors CHEBI:38498 mitochondrial NADH:ubiquinone reductase inhibitor mitochondrial NADH dehydrogenase inhibitor ChEBI mitochondrial complex I inhibitor ChEBI mitochondrial complex I inhibitors ChEBI chebi_ontology mitochondrial complex III inhibitor mitochondrial complex III inhibitors CHEBI:38499 mitochondrial cytochrome-bc1 complex inhibitor mitochondrial complex III inhibitor ChEBI mitochondrial complex III inhibitors ChEBI An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1). CHEBI:38501 CHEBI:62966 PMID:12969439 Wikipedia:Cytochrome_c_oxidase chebi_ontology CcO inhibitor EC 1.9.3.1 (cytochrome c oxidase) inhibitors EC 1.9.3.1 inhibitor EC 1.9.3.1 inhibitors NADH cytochrome c oxidase inhibitor NADH cytochrome c oxidase inhibitors Warburg's respiratory enzyme inhibitor Warburg's respiratory enzyme inhibitors complex IV (mitochondrial electron transport) inhibitor complex IV (mitochondrial electron transport) inhibitors cytochrome a3 inhibitor cytochrome a3 inhibitors cytochrome aa3 inhibitor cytochrome aa3 inhibitors cytochrome c oxidase (EC 1.9.3.1) inhibitor cytochrome c oxidase (EC 1.9.3.1) inhibitors cytochrome c oxidase inhibitor cytochrome c oxidase inhibitors cytochrome oxidase inhibitor cytochrome oxidase inhibitors cytochrome-c oxidase inhibitor cytochrome-c oxidase inhibitors ferrocytochrome c oxidase inhibitor ferrocytochrome c oxidase inhibitors ferrocytochrome-c:oxygen oxidoreductase inhibitor ferrocytochrome-c:oxygen oxidoreductase inhibitors indophenol oxidase inhibitor indophenol oxidase inhibitors indophenolase inhibitor indophenolase inhibitors mitochondrial complex IV inhibitor mitochondrial complex IV inhibitors mitochondrial cytochrome-c oxidase inhibitors CHEBI:38500 EC 1.9.3.1 (cytochrome c oxidase) inhibitor PMID:12969439 Europe PMC CcO inhibitor ChEBI EC 1.9.3.1 (cytochrome c oxidase) inhibitors ChEBI EC 1.9.3.1 inhibitor ChEBI EC 1.9.3.1 inhibitors ChEBI NADH cytochrome c oxidase inhibitor ChEBI NADH cytochrome c oxidase inhibitors ChEBI Warburg's respiratory enzyme inhibitor ChEBI Warburg's respiratory enzyme inhibitors ChEBI complex IV (mitochondrial electron transport) inhibitor ChEBI complex IV (mitochondrial electron transport) inhibitors ChEBI cytochrome a3 inhibitor ChEBI cytochrome a3 inhibitors ChEBI cytochrome aa3 inhibitor ChEBI cytochrome aa3 inhibitors ChEBI cytochrome c oxidase (EC 1.9.3.1) inhibitor ChEBI cytochrome c oxidase (EC 1.9.3.1) inhibitors ChEBI cytochrome c oxidase inhibitor ChEBI cytochrome c oxidase inhibitors ChEBI cytochrome oxidase inhibitor ChEBI cytochrome oxidase inhibitors ChEBI cytochrome-c oxidase inhibitor ChEBI cytochrome-c oxidase inhibitors ChEBI ferrocytochrome c oxidase inhibitor ChEBI ferrocytochrome c oxidase inhibitors ChEBI ferrocytochrome-c:oxygen oxidoreductase inhibitor ChEBI ferrocytochrome-c:oxygen oxidoreductase inhibitors ChEBI indophenol oxidase inhibitor ChEBI indophenol oxidase inhibitors ChEBI indophenolase inhibitor ChEBI indophenolase inhibitors ChEBI mitochondrial complex IV inhibitor ChEBI mitochondrial complex IV inhibitors ChEBI mitochondrial cytochrome-c oxidase inhibitors ChEBI chebi_ontology CHEBI:38502 cytochrome-bc1 complex inhibitor A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H(+)-translocating), EC 1.6.5.3. Wikipedia:NADH_dehydrogenase_(ubiquinone) chebi_ontology DPNH-coenzyme Q reductase inhibitor DPNH-ubiquinone reductase inhibitor EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors EC 1.6.5.3 inhibitor EC 1.6.5.3 inhibitors NADH coenzyme Q1 reductase inhibitor NADH coenzyme Q1 reductase inhibitors NADH dehydrogenase (ubiquinone) inhibitor NADH dehydrogenase (ubiquinone) inhibitors NADH-CoQ oxidoreductase inhibitor NADH-CoQ oxidoreductase inhibitors NADH-CoQ reductase inhibitor NADH-CoQ reductase inhibitors NADH-Q6 oxidoreductase inhibitor NADH-coenzyme Q oxidoreductase inhibitors NADH-coenzyme Q reductase inhibitor NADH-coenzyme Q reductase inhibitors NADH-ubiquinone oxidoreductase inhibitor NADH-ubiquinone oxidoreductase inhibitors NADH-ubiquinone reductase inhibitor NADH-ubiquinone reductase inhibitors NADH-ubiquinone-1 reductase inhibitor NADH-ubiquinone-1 reductase inhibitors NADH2 dehydrogenase (ubiquinone) inhibitor NADH:ubiquinone oxidoreductase complex inhibitor NADH:ubiquinone oxidoreductase inhibitor NADH:ubiquinone oxidoreductase inhibitors NADH:ubiquinone reductase (H(+)-translocating) inhibitor NADH:ubiquinone reductase (H(+)-translocating) inhibitors NADH:ubiquinone reductase (H+-translocating) inhibitor NADH:ubiquinone reductase inhibitor coenzyme Q reductase complex 1 dehydrogenase inhibitor complex I (NADH:Q1 oxidoreductase) inhibitors complex I (electron transport chain) inhibitors complex I (mitochondrial electron transport) inhibitors dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor electron transfer complex I inhibitor electron transfer complex I inhibitors mitochondrial electron transport complex 1 inhibitor mitochondrial electron transport complex I inhibitor mitochondrial electron transport complex I inhibitors reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors type 1 dehydrogenase inhibitor type 1 dehydrogenase inhibitors ubiquinone reductase inhibitor ubiquinone reductase inhibitors CHEBI:38503 EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor DPNH-coenzyme Q reductase inhibitor ChEBI DPNH-ubiquinone reductase inhibitor ChEBI EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor ChEBI EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors ChEBI EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors ChEBI EC 1.6.5.3 inhibitor ChEBI EC 1.6.5.3 inhibitors ChEBI NADH coenzyme Q1 reductase inhibitor ChEBI NADH coenzyme Q1 reductase inhibitors ChEBI NADH dehydrogenase (ubiquinone) inhibitor ChEBI NADH dehydrogenase (ubiquinone) inhibitors ChEBI NADH-CoQ oxidoreductase inhibitor ChEBI NADH-CoQ oxidoreductase inhibitors ChEBI NADH-CoQ reductase inhibitor ChEBI NADH-CoQ reductase inhibitors ChEBI NADH-Q6 oxidoreductase inhibitor ChEBI NADH-coenzyme Q oxidoreductase inhibitors ChEBI NADH-coenzyme Q reductase inhibitor ChEBI NADH-coenzyme Q reductase inhibitors ChEBI NADH-ubiquinone oxidoreductase inhibitor ChEBI NADH-ubiquinone oxidoreductase inhibitors ChEBI NADH-ubiquinone reductase inhibitor ChEBI NADH-ubiquinone reductase inhibitors ChEBI NADH-ubiquinone-1 reductase inhibitor ChEBI NADH-ubiquinone-1 reductase inhibitors ChEBI NADH2 dehydrogenase (ubiquinone) inhibitor ChEBI NADH:ubiquinone oxidoreductase complex inhibitor ChEBI NADH:ubiquinone oxidoreductase inhibitor ChEBI NADH:ubiquinone oxidoreductase inhibitors ChEBI NADH:ubiquinone reductase (H(+)-translocating) inhibitor ChEBI NADH:ubiquinone reductase (H(+)-translocating) inhibitors ChEBI NADH:ubiquinone reductase (H+-translocating) inhibitor ChEBI NADH:ubiquinone reductase inhibitor ChEBI coenzyme Q reductase ChEBI complex 1 dehydrogenase inhibitor ChEBI complex I (NADH:Q1 oxidoreductase) inhibitors ChEBI complex I (electron transport chain) inhibitors ChEBI complex I (mitochondrial electron transport) inhibitors ChEBI dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor ChEBI electron transfer complex I inhibitor ChEBI electron transfer complex I inhibitors ChEBI mitochondrial electron transport complex 1 inhibitor ChEBI mitochondrial electron transport complex I inhibitor ChEBI mitochondrial electron transport complex I inhibitors ChEBI reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor ChEBI reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors ChEBI type 1 dehydrogenase inhibitor ChEBI type 1 dehydrogenase inhibitors ChEBI ubiquinone reductase inhibitor ChEBI ubiquinone reductase inhibitors ChEBI Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues). hydrazones chebi_ontology hydrazones CHEBI:38532 hydrazone hydrazones IUPAC hydrazones ChEBI Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms. difluorobenzene chebi_ontology Difluorbenzol difluorobenzenes CHEBI:38582 difluorobenzene difluorobenzene IUPAC Difluorbenzol ChEBI difluorobenzenes ChEBI A difluorobenzene carrying fluoro groups at positions 1 and 3. 0 C6H4F2 InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H UEMGWPRHOOEKTA-UHFFFAOYSA-N 114.09277 114.02811 Fc1cccc(F)c1 Beilstein:1904537 CAS:372-18-9 Gmelin:200891 PMID:15535712 PMID:22707282 Patent:CN101607874 Patent:CN1634895 Patent:CN1765887 Reaxys:1904537 1,3-difluorobenzene chebi_ontology 1,3-Difluorbenzol m-difluorobenzene meta-difluorobenzene CHEBI:38584 1,3-difluorobenzene Beilstein:1904537 Beilstein CAS:372-18-9 ChemIDplus CAS:372-18-9 NIST Chemistry WebBook Gmelin:200891 Gmelin PMID:15535712 Europe PMC PMID:22707282 Europe PMC Reaxys:1904537 Reaxys 1,3-difluorobenzene IUPAC 1,3-Difluorbenzol ChEBI m-difluorobenzene ChemIDplus meta-difluorobenzene NIST_Chemistry_WebBook 0 C2H3N3 69.065 69.03270 triazole chebi_ontology CHEBI:38597 triazole triazole IUPAC An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4). Wikipedia:Monoamine_oxidase_inhibitor chebi_ontology EC 1.4.3.4 (monoamine oxidase) inhibitors EC 1.4.3.4 inhibitor EC 1.4.3.4 inhibitors MAO A inhibitor MAO A inhibitors MAO B inhibitor MAO B inhibitors MAO inhibitor MAO inhibitors MAO-A inhibitor MAO-A inhibitors MAO-B inhibitor MAO-B inhibitors adrenalin oxidase inhibitor adrenalin oxidase inhibitors adrenaline oxidase inhibitor adrenaline oxidase inhibitors amine oxidase (flavin-containing) inhibitor amine oxidase (flavin-containing) inhibitors amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors amine:oxygen oxidoreductase (deaminating) inhibitor amine:oxygen oxidoreductase (deaminating) inhibitors epinephrine oxidase inhibitor epinephrine oxidase inhibitors monoamine oxidase (EC 1.4.3.4) inhibitor monoamine oxidase (EC 1.4.3.4) inhibitors monoamine oxidase A inhibitor monoamine oxidase A inhibitors monoamine oxidase B inhibitor monoamine oxidase B inhibitors monoamine oxidase inhibitor monoamine oxidase inhibitors monoamine:O2 oxidoreductase (deaminating) inhibitor monoamine:O2 oxidoreductase (deaminating) inhibitors serotonin deaminase inhibitor serotonin deaminase inhibitors tyraminase inhibitor tyraminase inhibitors tyramine oxidase inhibitor tyramine oxidase inhibitors CHEBI:38623 EC 1.4.3.4 (monoamine oxidase) inhibitor EC 1.4.3.4 (monoamine oxidase) inhibitors ChEBI EC 1.4.3.4 inhibitor ChEBI EC 1.4.3.4 inhibitors ChEBI MAO A inhibitor ChEBI MAO A inhibitors ChEBI MAO B inhibitor ChEBI MAO B inhibitors ChEBI MAO inhibitor ChEBI MAO inhibitors ChEBI MAO-A inhibitor ChEBI MAO-A inhibitors ChEBI MAO-B inhibitor ChEBI MAO-B inhibitors ChEBI adrenalin oxidase inhibitor ChEBI adrenalin oxidase inhibitors ChEBI adrenaline oxidase inhibitor ChEBI adrenaline oxidase inhibitors ChEBI amine oxidase (flavin-containing) inhibitor ChEBI amine oxidase (flavin-containing) inhibitors ChEBI amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor ChEBI amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors ChEBI amine:oxygen oxidoreductase (deaminating) inhibitor ChEBI amine:oxygen oxidoreductase (deaminating) inhibitors ChEBI epinephrine oxidase inhibitor ChEBI epinephrine oxidase inhibitors ChEBI monoamine oxidase (EC 1.4.3.4) inhibitor ChEBI monoamine oxidase (EC 1.4.3.4) inhibitors ChEBI monoamine oxidase A inhibitor ChEBI monoamine oxidase A inhibitors ChEBI monoamine oxidase B inhibitor ChEBI monoamine oxidase B inhibitors ChEBI monoamine oxidase inhibitor ChEBI monoamine oxidase inhibitors ChEBI monoamine:O2 oxidoreductase (deaminating) inhibitor ChEBI monoamine:O2 oxidoreductase (deaminating) inhibitors ChEBI serotonin deaminase inhibitor ChEBI serotonin deaminase inhibitors ChEBI tyraminase inhibitor ChEBI tyraminase inhibitors ChEBI tyramine oxidase inhibitor ChEBI tyramine oxidase inhibitors ChEBI Any agent that affects the transport of molecular entities across a biological membrane. chebi_ontology membrane transport modulators CHEBI:38632 membrane transport modulator membrane transport modulators ChEBI organic sodium salt chebi_ontology organic sodium salts CHEBI:38700 organic sodium salt organic sodium salt ChEBI organic sodium salts ChEBI chebi_ontology inorganic sodium salts CHEBI:38702 inorganic sodium salt inorganic sodium salts ChEBI Any dianion containing at least one carboxy group. carboxylic acid dianion chebi_ontology carboxylic acid dianions CHEBI:38716 carboxylic acid dianion carboxylic acid dianion ChEBI carboxylic acid dianions ChEBI A monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group attached to the quinoline skeleton chebi_ontology quinolinemonocarboxylates CHEBI:38773 quinolinemonocarboxylate quinolinemonocarboxylates ChEBI Any compound containing morpholine as part of its structure. chebi_ontology CHEBI:38785 morpholines A membrane transport modulator that is able to regulate intracellular calcium levels. chebi_ontology calcium channel modulators CHEBI:38808 calcium channel modulator calcium channel modulators ChEBI Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof. chebi_ontology CHEBI:38922 dibenzofurans A molecular entity capable of donating a hydron to an acceptor (Bronsted base). Bronsted acid chebi_ontology Bronsted-Saeure acide de Bronsted donneur d'hydron hydron donor CHEBI:39141 Bronsted acid Bronsted acid IUPAC Bronsted-Saeure ChEBI acide de Bronsted IUPAC donneur d'hydron IUPAC hydron donor IUPAC A molecular entity capable of accepting a hydron from a donor (Bronsted acid). Bronsted base chebi_ontology Bronsted-Base accepteur d'hydron base de Bronsted hydron acceptor CHEBI:39142 Bronsted base Bronsted base IUPAC Bronsted-Base ChEBI accepteur d'hydron IUPAC base de Bronsted IUPAC hydron acceptor IUPAC A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct. Lewis base chebi_ontology Lewis-Base base de Lewis donneur d'une paire d'electrons electron donor CHEBI:39144 Lewis base Lewis base IUPAC Lewis-Base ChEBI base de Lewis IUPAC donneur d'une paire d'electrons ChEBI electron donor ChEBI trichostatin chebi_ontology trichostatins CHEBI:39146 trichostatin trichostatin ChEBI trichostatins ChEBI 0 C17H21NO3 InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+ VKEITMNFEJHFCX-WKWSCTOISA-N 287.35358 287.15214 CC(C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O Beilstein:2386556 CAS:114127-17-2 (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid trichostatic acid chebi_ontology (+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid CHEBI:39157 trichostatic acid Beilstein:2386556 Beilstein CAS:114127-17-2 ChemIDplus (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid IUPAC trichostatic acid ChemIDplus (+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid ChemIDplus 0 C17H21NO3 InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m1/s1 VKEITMNFEJHFCX-QEQCGCAPSA-N 287.35358 287.15214 C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O Beilstein:5284073 Beilstein:6893749 (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid chebi_ontology (+)-Trichostatsaeure (+)-trichostatic acid CHEBI:39158 (R)-trichostatic acid Beilstein:5284073 Beilstein Beilstein:6893749 Beilstein (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid IUPAC (+)-Trichostatsaeure ChEBI (+)-trichostatic acid ChEBI 0 C17H21NO3 InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m0/s1 VKEITMNFEJHFCX-LEJRBOCMSA-N 287.35358 287.15214 C[C@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O Beilstein:5284074 (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid chebi_ontology (-)-Trichostatsaeure (-)-trichostatic acid CHEBI:39159 (S)-trichostatic acid Beilstein:5284074 Beilstein (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid IUPAC (-)-Trichostatsaeure ChEBI (-)-trichostatic acid ChEBI Any organonitrogen heterocyclic compound based on a phenazine skeleton and derivatives. chebi_ontology CHEBI:39201 phenazines chebi_ontology CHEBI:39208 antibiotic insecticide chebi_ontology CHEBI:39209 macrolide insecticide chebi_ontology CHEBI:39213 avermectin insecticide Mixture of 80% avermectin B1a and 20% avermectin B1b. CAS:71751-41-2 Abamectin chebi_ontology Agri-Mek Avid MK 936 Zephyr avermectin B1 CHEBI:39214 abamectin CAS:71751-41-2 ChemIDplus Abamectin ChemIDplus Agri-Mek ChemIDplus Avid ChemIDplus MK 936 ChemIDplus Zephyr ChemIDplus avermectin B1 ChemIDplus chebi_ontology CHEBI:39215 antibiotic pesticide chebi_ontology CHEBI:39216 antibiotic acaricide chebi_ontology CHEBI:39217 antibiotic nematicide chebi_ontology CHEBI:39218 macrolide acaricide chebi_ontology CHEBI:39219 avermectin acaricide chebi_ontology CHEBI:39220 avermectin pesticide chebi_ontology CHEBI:39221 macrolide pesticide A mixture of emamectin B1a (major component) and emamectin B1b (minor component). CAS:119791-41-2 CAS:137335-79-6 emamectin chebi_ontology (4''R)- 4''-deoxy-4''-(methylamino)avermectin B1 4''-epi-methylamino-4''-deoxyavermectin B1 CHEBI:39230 emamectin CAS:119791-41-2 ChemIDplus CAS:137335-79-6 ChemIDplus emamectin ChemIDplus (4''R)- 4''-deoxy-4''-(methylamino)avermectin B1 ChemIDplus 4''-epi-methylamino-4''-deoxyavermectin B1 ChemIDplus 0 C49H75NO13 InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1 CXEGAUYXQAKHKJ-NSBHKLITSA-N 886.11874 885.52384 [H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C1)[C@]34O Beilstein:8671728 (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside chebi_ontology CHEBI:39231 emamectin B1a Beilstein:8671728 Beilstein (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside IUPAC 0 C48H73NO13 InChI=1S/C48H73NO13/c1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,47+,48+/m0/s1 DXIOOXFZLKCVHK-UTAOKEBVSA-N 872.09216 871.50819 [H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside chebi_ontology (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside CHEBI:39232 emamectin B1b (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside IUPAC (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylamino)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside IUPAC chebi_ontology naphthofurans CHEBI:39270 naphthofuran naphthofurans ChEBI Any chemical substance that inhibits the life-cycle of an organism. chebi_ontology growth regulators CHEBI:39317 growth regulator growth regulators ChEBI Any compound with a 1,2,4-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 2 and 4 of the core benzene ring structure. PMID:20194696 chebi_ontology CHEBI:39410 1,2,4-triazines PMID:20194696 Europe PMC Any saturated fatty acid lacking a side-chain. PMID:15644336 straight-chain saturated fatty acid chebi_ontology straight-chain saturated fatty acids CHEBI:39418 straight-chain saturated fatty acid PMID:15644336 Europe PMC straight-chain saturated fatty acid ChEBI straight-chain saturated fatty acids ChEBI chebi_ontology dioxolanes CHEBI:39430 dioxolane dioxolanes ChEBI A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy. chebi_ontology CHEBI:39442 fluorescent probe CHEBI:13784 CHEBI:26445 CHEBI:7263 chebi_ontology CHEBI:39446 pyrimidine ribonucleosides Any compound having a pyrimidine as part of its structure. CHEBI:13681 CHEBI:26448 chebi_ontology CHEBI:39447 pyrimidines Any azaalkane in which two or more carbons in the chain are replaced by nitrogen. chebi_ontology polyazaalkanes CHEBI:39474 polyazaalkane polyazaalkanes ChEBI A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. -1 H2O4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1 NBIIXXVUZAFLBC-UHFFFAOYSA-M 96.98724 96.96962 [H]OP([O-])(=O)O[H] CHEBI:29137 CHEBI:39739 DrugBank:DB02831 Gmelin:1999 PDBeChem:2HP dihydrogen(tetraoxidophosphate)(1-) dihydrogenphosphate dihydrogentetraoxophosphate(1-) dihydrogentetraoxophosphate(V) dihydroxidodioxidophosphate(1-) chebi_ontology DIHYDROGENPHOSPHATE ION H2PO4(-) [PO2(OH)2](-) CHEBI:39745 dihydrogenphosphate Gmelin:1999 Gmelin dihydrogen(tetraoxidophosphate)(1-) IUPAC dihydrogenphosphate IUPAC dihydrogentetraoxophosphate(1-) IUPAC dihydrogentetraoxophosphate(V) IUPAC dihydroxidodioxidophosphate(1-) IUPAC DIHYDROGENPHOSPHATE ION PDBeChem H2PO4(-) IUPAC [PO2(OH)2](-) IUPAC KEGG:C02019 Cyclic ketone cyclic ketones chebi_ontology CHEBI:3992 cyclic ketone Cyclic ketone KEGG_COMPOUND cyclic ketones IUPAC A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis). 0 C3H6N2O2 InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1 DYDCUQKUCUHJBH-UWTATZPHSA-N 102.09190 102.04293 [H][C@@]1(N)CONC1=O CHEBI:4030 Beilstein:80798 CAS:68-41-7 DrugBank:DB00260 Drug_Central:759 HMDB:HMDB0014405 KEGG:D00877 LINCS:LSM-5932 LIPID_MAPS_instance:LMPK14000007 MetaCyc:CPD-2482 PDBeChem:4AX PMID:12076471 PMID:17707326 PMID:18316423 PMID:18486041 PMID:18930757 PMID:22234379 PMID:22368237 PMID:22632472 PMID:22892161 PMID:23174090 PMID:23416058 PMID:23438729 PMID:23523746 PMID:23542909 PMID:23656850 PMID:23685206 PMID:4555420 PMID:5006234 Patent:US2772280 Patent:US2840565 Reaxys:80798 Wikipedia:Cycloserine (4R)-4-aminoisoxazolidin-3-one D-Cycloserine chebi_ontology (+)-4-amino-3-isoxazolidinone (+)-cycloserine (R)-4-AMINO-ISOXAZOLIDIN-3-ONE D-(+)-cycloserine D-4-amino-3-isoxazolidinone D-4-amino-3-isoxazolidone DCS PA 94 PA-94 Ro-1-9213 Seromycin alpha-Cycloserine cicloserina cyclo-D-serine cycloserine cycloserinum orientomycin CHEBI:40009 D-cycloserine Beilstein:80798 Beilstein CAS:68-41-7 ChemIDplus CAS:68-41-7 NIST Chemistry WebBook Drug_Central:759 DrugCentral LIPID_MAPS_instance:LMPK14000007 LIPID MAPS PMID:12076471 Europe PMC PMID:17707326 Europe PMC PMID:18316423 Europe PMC PMID:18486041 Europe PMC PMID:18930757 Europe PMC PMID:22234379 Europe PMC PMID:22368237 Europe PMC PMID:22632472 Europe PMC PMID:22892161 Europe PMC PMID:23174090 Europe PMC PMID:23416058 Europe PMC PMID:23438729 Europe PMC PMID:23523746 Europe PMC PMID:23542909 Europe PMC PMID:23656850 Europe PMC PMID:23685206 Europe PMC PMID:4555420 Europe PMC PMID:5006234 Europe PMC Reaxys:80798 Reaxys (4R)-4-aminoisoxazolidin-3-one IUPAC D-Cycloserine ChemIDplus D-Cycloserine KEGG_COMPOUND (+)-4-amino-3-isoxazolidinone ChemIDplus (+)-cycloserine ChEBI (R)-4-AMINO-ISOXAZOLIDIN-3-ONE PDBeChem D-(+)-cycloserine ChEBI D-4-amino-3-isoxazolidinone ChemIDplus D-4-amino-3-isoxazolidone ChemIDplus DCS ChemIDplus PA 94 ChemIDplus PA-94 ChemIDplus Ro-1-9213 ChemIDplus Seromycin ChemIDplus alpha-Cycloserine NIST_Chemistry_WebBook cicloserina ChemIDplus cyclo-D-serine ChemIDplus cycloserine ChemIDplus cycloserine WHO_MedNet cycloserinum ChemIDplus orientomycin ChemIDplus A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. 0 C62H111N11O12 InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 PMATZTZNYRCHOR-CGLBZJNRSA-N 1202.635 1201.84137 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C CHEBI:63586 CHEBI:91802 Beilstein:3647785 CAS:59865-13-3 Chemspider:4447449 DrugBank:DB00091 Drug_Central:760 HMDB:HMDB0250682 KEGG:C05086 KEGG:D00184 KNApSAcK:C00001517 LINCS:LSM-1703 LIPID_MAPS_instance:LMPK14000003 MetaCyc:CPD-20532 PMID:11058832 PMID:11069928 PMID:11079273 PMID:11080188 PMID:11238591 PMID:11256490 PMID:11278005 PMID:11315347 PMID:11370709 PMID:11406057 PMID:11426833 PMID:11442023 PMID:11481617 PMID:11493684 PMID:11529914 PMID:11557554 PMID:11564166 PMID:11676831 PMID:11870366 PMID:12021257 PMID:12050171 PMID:12603598 PMID:12761440 PMID:12929192 PMID:12950728 PMID:14521916 PMID:14621732 PMID:14638917 PMID:14672695 PMID:14682659 PMID:14743390 PMID:15030555 PMID:15175101 PMID:15210365 PMID:15306697 PMID:15383526 PMID:15541012 PMID:15613074 PMID:15626898 PMID:15657176 PMID:1566062 PMID:15711594 PMID:15811524 PMID:15962181 PMID:16372476 PMID:16404634 PMID:16724420 PMID:16801218 PMID:16898534 PMID:17032751 PMID:17083576 PMID:17117422 PMID:17192032 PMID:17220244 PMID:17229932 PMID:17265451 PMID:17446460 PMID:17603747 PMID:18076075 PMID:18171316 PMID:18191430 PMID:18217899 PMID:18259730 PMID:18299432 PMID:18359899 PMID:18583716 PMID:18597363 PMID:18790203 PMID:18818682 PMID:18931077 PMID:18975184 PMID:19282398 PMID:19589783 PMID:21752960 PMID:23620378 PMID:24134630 PMID:31144214 PMID:34561200 PMID:34561814 Patent:US4117118 Reaxys:3647785 VSDB:1765 Wikipedia:Ciclosporin 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Cyclosporin A cyclosporin A chebi_ontology (R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl) 1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine] 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Antibiotic S 7481F1 Ciclosporin Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl) Cyclosporine Gengraf Neoral Sandimmune ciclosporin ciclosporina ciclosporine ciclosporinum CHEBI:4031 cyclosporin A Beilstein:3647785 Beilstein CAS:59865-13-3 ChemIDplus CAS:59865-13-3 KEGG COMPOUND Drug_Central:760 DrugCentral LIPID_MAPS_instance:LMPK14000003 LIPID MAPS PMID:11058832 Europe PMC PMID:11069928 Europe PMC PMID:11079273 Europe PMC PMID:11080188 Europe PMC PMID:11238591 Europe PMC PMID:11256490 Europe PMC PMID:11278005 Europe PMC PMID:11315347 Europe PMC PMID:11370709 Europe PMC PMID:11406057 Europe PMC PMID:11426833 Europe PMC PMID:11442023 Europe PMC PMID:11481617 Europe PMC PMID:11493684 Europe PMC PMID:11529914 Europe PMC PMID:11557554 Europe PMC PMID:11564166 Europe PMC PMID:11676831 Europe PMC PMID:11870366 Europe PMC PMID:12021257 Europe PMC PMID:12050171 Europe PMC PMID:12603598 Europe PMC PMID:12761440 Europe PMC PMID:12929192 Europe PMC PMID:12950728 Europe PMC PMID:14521916 Europe PMC PMID:14621732 Europe PMC PMID:14638917 Europe PMC PMID:14672695 Europe PMC PMID:14682659 Europe PMC PMID:14743390 Europe PMC PMID:15030555 Europe PMC PMID:15175101 Europe PMC PMID:15210365 Europe PMC PMID:15306697 Europe PMC PMID:15383526 Europe PMC PMID:15541012 Europe PMC PMID:15613074 Europe PMC PMID:15626898 Europe PMC PMID:15657176 Europe PMC PMID:1566062 Europe PMC PMID:15711594 Europe PMC PMID:15811524 Europe PMC PMID:15962181 Europe PMC PMID:16372476 Europe PMC PMID:16404634 Europe PMC PMID:16724420 Europe PMC PMID:16801218 Europe PMC PMID:16898534 Europe PMC PMID:17032751 Europe PMC PMID:17083576 Europe PMC PMID:17117422 Europe PMC PMID:17192032 Europe PMC PMID:17220244 Europe PMC PMID:17229932 Europe PMC PMID:17265451 Europe PMC PMID:17446460 Europe PMC PMID:17603747 Europe PMC PMID:18076075 Europe PMC PMID:18171316 Europe PMC PMID:18191430 Europe PMC PMID:18217899 Europe PMC PMID:18259730 Europe PMC PMID:18299432 Europe PMC PMID:18359899 Europe PMC PMID:18583716 Europe PMC PMID:18597363 Europe PMC PMID:18790203 Europe PMC PMID:18818682 Europe PMC PMID:18931077 Europe PMC PMID:18975184 Europe PMC PMID:19282398 Europe PMC PMID:19589783 Europe PMC PMID:21752960 Europe PMC PMID:23620378 Europe PMC PMID:24134630 Europe PMC PMID:31144214 Europe PMC PMID:34561200 Europe PMC PMID:34561814 Europe PMC Reaxys:3647785 Reaxys 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone IUPAC Cyclosporin A KEGG_COMPOUND cyclosporin A UniProt (R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl) ChEBI 1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine] JCBN 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone ChEBI Antibiotic S 7481F1 ChemIDplus Ciclosporin KEGG_COMPOUND Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl) ChemIDplus Cyclosporine ChemIDplus Cyclosporine KEGG_COMPOUND Gengraf DrugBank Neoral DrugBank Sandimmune DrugBank ciclosporin KEGG_DRUG ciclosporina ChemIDplus ciclosporine ChemIDplus ciclosporinum ChemIDplus Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract. 0 C22H25N3O7S InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1 JUZNIMUFDBIJCM-ANEDZVCMSA-N 475.51500 475.14132 [H][C@]1(CN[C@@]([H])(C1)C(=O)Nc1cccc(c1)C(O)=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C(O)=O CHEBI:471574 Beilstein:9025520 CAS:153832-46-3 DrugBank:DB00303 Drug_Central:1046 KEGG:D07908 Patent:US5478820 Patent:WO9315078 Wikipedia:Ertapenem (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid ERTAPENEM chebi_ontology (1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid (4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid ertapenem CHEBI:404903 ertapenem Beilstein:9025520 Beilstein CAS:153832-46-3 ChemIDplus CAS:153832-46-3 KEGG DRUG Drug_Central:1046 DrugCentral (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC ERTAPENEM ChEMBL (1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid ChEBI (4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid ChEMBL ertapenem KEGG_DRUG An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture. 0 C22H17N3O5 InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ WFDXOXNFNRHQEC-GHRIWEEISA-N 403.38750 403.11682 CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 Beilstein:8350244 CAS:131860-33-8 KEGG:C18558 PDBeChem:AZO PMID:20818521 PMID:21153804 PMID:21671616 PMID:21777591 PMID:21884765 PMID:22092932 PMID:22224459 PMID:22278367 PMID:24125711 PMID:24405376 PMID:24700092 PMID:24726979 PMID:25011117 PMID:25090100 PMID:25196149 PPDB:54 Patent:EP382375 Patent:US5395837 Pesticides:azoxystrobin Reaxys:8350244 Wikipedia:Azoxystrobin methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate chebi_ontology (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate CHEBI:40909 azoxystrobin Beilstein:8350244 Beilstein CAS:131860-33-8 ChemIDplus CAS:131860-33-8 KEGG COMPOUND PMID:20818521 Europe PMC PMID:21153804 Europe PMC PMID:21671616 Europe PMC PMID:21777591 Europe PMC PMID:21884765 Europe PMC PMID:22092932 Europe PMC PMID:22224459 Europe PMC PMID:22278367 Europe PMC PMID:24125711 Europe PMC PMID:24405376 Europe PMC PMID:24700092 Europe PMC PMID:24726979 Europe PMC PMID:25011117 Europe PMC PMID:25090100 Europe PMC PMID:25196149 Europe PMC Pesticides:azoxystrobin Alan Wood's Pesticides Reaxys:8350244 Reaxys methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate IUPAC (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester ChEBI methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate ChEBI chebi_ontology CHEBI:41032 5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium The 1H-tautomer of benzimidazole. 0 C7H6N2 InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) HYZJCKYKOHLVJF-UHFFFAOYSA-N 118.13602 118.05310 c1ccc2[nH]cnc2c1 CHEBI:3028 CHEBI:41272 Beilstein:109682 CAS:51-17-2 DrugBank:DB02962 Gmelin:3106 KEGG:C02009 MetaCyc:BENZIMIDAZOLE PDBeChem:BZI PMID:24152176 PMID:8070089 Reaxys:109682 Wikipedia:Benzimidazole 1H-benzimidazole chebi_ontology 1,3-benzodiazole 1,3-diazaindene BENZIMIDAZOLE Benzimidazole Hbim Hbzim azindole benzimidazole benzoglyoxaline o-benzimidazole CHEBI:41275 1H-benzimidazole Beilstein:109682 Beilstein CAS:51-17-2 ChemIDplus CAS:51-17-2 KEGG COMPOUND CAS:51-17-2 NIST Chemistry WebBook Gmelin:3106 Gmelin PMID:24152176 Europe PMC PMID:8070089 Europe PMC Reaxys:109682 Reaxys 1H-benzimidazole IUPAC 1,3-benzodiazole ChemIDplus 1,3-diazaindene ChemIDplus BENZIMIDAZOLE PDBeChem Benzimidazole KEGG_COMPOUND Hbim IUPAC Hbzim IUPAC azindole ChemIDplus benzimidazole IUPAC benzoglyoxaline ChemIDplus o-benzimidazole NIST_Chemistry_WebBook -2 CO3 InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2 BVKZGUZCCUSVTD-UHFFFAOYSA-L 60.00890 59.98584 [O-]C([O-])=O CHEBI:29201 CHEBI:41605 Beilstein:3600898 CAS:3812-32-6 Gmelin:1559 PDBeChem:CO3 carbonate trioxidocarbonate(2-) chebi_ontology CARBONATE ION CO3(2-) Karbonat [CO3](2-) CHEBI:41609 carbonate Beilstein:3600898 Beilstein CAS:3812-32-6 ChemIDplus Gmelin:1559 Gmelin carbonate IUPAC trioxidocarbonate(2-) IUPAC CARBONATE ION PDBeChem CO3(2-) ChEBI Karbonat ChEBI [CO3](2-) IUPAC A glucopyranose having D-configuration. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-GASJEMHNSA-N 180.15588 180.06339 OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O Beilstein:1281604 CAS:2280-44-6 GlyGen:G15021LG GlyTouCan:G15021LG Gmelin:83256 HMDB:HMDB0000122 KEGG:C00031 KEGG:D00009 KNApSAcK:C00001122 MetaCyc:D-Glucose PMID:15987845 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17928662 PMID:19913595 PMID:26812026 PMID:32619908 PMID:7524207 PMID:9140037 PMID:9501190 PMID:9506998 PMID:9545565 Reaxys:1281604 Wikipedia:Glucose D-glucopyranose chebi_ontology D-Glc D-Glcp D-Glucose D-glucose Dextrose Glc-OH Glucose Grape sugar WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/ glucose CHEBI:4167 D-glucopyranose Beilstein:1281604 Beilstein CAS:2280-44-6 ChemIDplus Gmelin:83256 Gmelin PMID:15987845 Europe PMC PMID:16901854 Europe PMC PMID:17336832 Europe PMC PMID:17439666 Europe PMC PMID:17928662 Europe PMC PMID:19913595 Europe PMC PMID:26812026 Europe PMC PMID:32619908 Europe PMC PMID:7524207 Europe PMC PMID:9140037 Europe PMC PMID:9501190 Europe PMC PMID:9506998 Europe PMC PMID:9545565 Europe PMC Reaxys:1281604 Reaxys D-glucopyranose IUPAC D-Glc ChEBI D-Glcp ChEBI D-Glucose KEGG_COMPOUND D-glucose UniProt Dextrose KEGG_COMPOUND Glc-OH ChEBI Glucose KEGG_COMPOUND Grape sugar KEGG_COMPOUND WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/ GlyTouCan glucose ChEBI chebi_ontology CHEBI:417636 4-{((R)-2-Carboxy-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-[(Z)-methoxyimino]-methyl}-thiazol-2-yl-ammonium A hexose that has D-configuration at position 5. 0 C6H12O6 180.156 180.06339 KEGG:C00738 D-Hexose D-hexopyranose chebi_ontology D-hexoses a D-hexose CHEBI:4194 D-hexose D-Hexose KEGG_COMPOUND D-hexopyranose IUPAC D-hexoses ChEBI a D-hexose UniProt A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2. 0 C6H12F2N2O2 InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12) VLCYCQAOQCDTCN-UHFFFAOYSA-N 182.16850 182.08668 NCCCC(N)(C(F)F)C(O)=O CHEBI:41946 CHEBI:4761 Beilstein:2250529 CAS:67037-37-0 CAS:70052-12-9 DrugBank:DB03856 Drug_Central:990 KEGG:C07997 KEGG:D07883 PDBeChem:DMO PMID:16541214 PMID:23771434 PMID:24144414 Reaxys:2250529 Wikipedia:Eflornithine 2,5-diamino-2-(difluoromethyl)pentanoic acid 2-(difluoromethyl)ornithine Eflornithine chebi_ontology ALPHA-DIFLUOROMETHYLORNITHINE DFMO DL-Ornithine, 2-(difluoromethyl)- alpha-(Difluoromethyl)-DL-ornithine alpha-difluoromethylornithine CHEBI:41948 eflornithine Beilstein:2250529 ChemIDplus CAS:67037-37-0 ChemIDplus CAS:67037-37-0 KEGG COMPOUND CAS:70052-12-9 ChemIDplus Drug_Central:990 DrugCentral PMID:16541214 Europe PMC PMID:23771434 Europe PMC PMID:24144414 Europe PMC Reaxys:2250529 Reaxys 2,5-diamino-2-(difluoromethyl)pentanoic acid IUPAC 2-(difluoromethyl)ornithine IUPAC Eflornithine KEGG_COMPOUND ALPHA-DIFLUOROMETHYLORNITHINE PDBeChem DFMO ChemIDplus DL-Ornithine, 2-(difluoromethyl)- KEGG_COMPOUND alpha-(Difluoromethyl)-DL-ornithine DrugCentral alpha-difluoromethylornithine ChemIDplus An alkane comprising of two carbon atoms. 0 C2H6 InChI=1S/C2H6/c1-2/h1-2H3 OTMSDBZUPAUEDD-UHFFFAOYSA-N 30.06904 30.04695 CC CHEBI:23975 CHEBI:42260 Beilstein:1730716 CAS:74-84-0 Gmelin:212 PMID:12826252 PMID:14664856 PMID:16236899 Reaxys:1730716 Wikipedia:Ethane ETHANE ethane chebi_ontology Aethan C2H6 CH3-CH3 Ethan R-170 bimethyl dimethyl ethyl hydride methylmethane CHEBI:42266 ethane Beilstein:1730716 Beilstein CAS:74-84-0 ChemIDplus CAS:74-84-0 NIST Chemistry WebBook Gmelin:212 Gmelin PMID:12826252 Europe PMC PMID:14664856 Europe PMC PMID:16236899 Europe PMC Reaxys:1730716 Reaxys ETHANE PDBeChem ethane IUPAC Aethan ChEBI C2H6 ChEBI CH3-CH3 IUPAC Ethan ChEBI R-170 ChEBI bimethyl NIST_Chemistry_WebBook dimethyl NIST_Chemistry_WebBook ethyl hydride NIST_Chemistry_WebBook methylmethane NIST_Chemistry_WebBook An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. 0 C37H67NO13 InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N 733.92680 733.46124 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O CHEBI:112506 CHEBI:23950 CHEBI:28672 CHEBI:42352 CHEBI:4841 CHEBI:4843 Beilstein:75000 Beilstein:75279 CAS:114-07-8 CAS:1675-02-1 DrugBank:DB00199 Drug_Central:1048 KEGG:C01912 KEGG:D00140 LINCS:LSM-3416 LIPID_MAPS_instance:LMPK04000006 MetaCyc:CPD-13804 PDBeChem:ERY Patent:US2823203 Reaxys:75279 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione ERYTHROMYCIN A Erythromycin A erythromycin chebi_ontology (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione 3''-O-demethylerythromycin Abomacetin ERYTHROMYCIN Erythromycin Erythromycin C eritromicina erthromycin erythromycin erythromycine erythromycinum CHEBI:42355 erythromycin A Beilstein:75000 Beilstein Beilstein:75279 Beilstein CAS:114-07-8 ChemIDplus CAS:114-07-8 KEGG COMPOUND CAS:1675-02-1 ChemIDplus Drug_Central:1048 DrugCentral LIPID_MAPS_instance:LMPK04000006 LIPID MAPS Reaxys:75279 Reaxys (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC ERYTHROMYCIN A PDBeChem Erythromycin A ChEMBL Erythromycin A KEGG_COMPOUND erythromycin IUPAC (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC 3''-O-demethylerythromycin ChemIDplus Abomacetin KEGG_COMPOUND ERYTHROMYCIN ChEMBL Erythromycin ChEMBL Erythromycin KEGG_COMPOUND Erythromycin C KEGG_COMPOUND eritromicina ChemIDplus erthromycin ChEBI erythromycin ChemIDplus erythromycine ChemIDplus erythromycinum ChemIDplus 0 CHO 29.01804 29.00274 [H]C(*)=O CHEBI:24089 CHEBI:42480 PDBeChem:FOR FORMYL GROUP aldehyde group carbaldehyde formyl chebi_ontology -CH(O) -CHO Fo H-CO- methanoyl CHEBI:42485 formyl group FORMYL GROUP PDBeChem aldehyde group IUPAC carbaldehyde IUPAC formyl IUPAC -CH(O) IUPAC -CHO IUPAC Fo CBN H-CO- IUPAC methanoyl IUPAC 0 HO 17.00734 17.00274 *O[H] CHEBI:24706 CHEBI:43171 PDBeChem:OH HYDROXY GROUP hydroxy hydroxy group chebi_ontology -OH hydroxyl hydroxyl group CHEBI:43176 hydroxy group HYDROXY GROUP PDBeChem hydroxy IUPAC hydroxy group UniProt -OH IUPAC hydroxyl ChEBI hydroxyl group ChEBI chebi_ontology CHEBI:43254 (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one A phosphate ion that is the conjugate base of dihydrogenphosphate. -2 HO4P InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2 NBIIXXVUZAFLBC-UHFFFAOYSA-L 95.97930 95.96234 OP([O-])([O-])=O CHEBI:29139 CHEBI:43470 Gmelin:1998 MolBase:1628 PDBeChem:PI PDBeChem:PO4 hydrogen(tetraoxidophosphate)(2-) hydrogenphosphate hydrogentetraoxophosphate(2-) hydrogentetraoxophosphate(V) hydroxidotrioxidophosphate(2-) chebi_ontology HPO4(2-) HYDROGENPHOSPHATE ION INORGANIC PHOSPHATE GROUP [P(OH)O3](2-) [PO3(OH)](2-) hydrogen phosphate phosphate CHEBI:43474 hydrogenphosphate Gmelin:1998 Gmelin hydrogen(tetraoxidophosphate)(2-) IUPAC hydrogenphosphate IUPAC hydrogentetraoxophosphate(2-) IUPAC hydrogentetraoxophosphate(V) IUPAC hydroxidotrioxidophosphate(2-) IUPAC HPO4(2-) IUPAC HYDROGENPHOSPHATE ION PDBeChem INORGANIC PHOSPHATE GROUP PDBeChem [P(OH)O3](2-) MolBase [PO3(OH)](2-) IUPAC hydrogen phosphate ChEBI phosphate UniProt A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively. 0 C17H25N3O5S InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 DMJNNHOOLUXYBV-PQTSNVLCSA-N 383.46300 383.15149 [H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O Beilstein:6826115 CAS:96036-03-2 DrugBank:DB00760 Drug_Central:1709 LINCS:LSM-5208 PDBeChem:MER PMID:10776838 PMID:11069213 PMID:18611786 PMID:18645546 PMID:28343819 PMID:28371721 PMID:28583381 PMID:28669829 PMID:28677407 PMID:7588092 Patent:EP126587 Patent:US4943569 Wikipedia:Meropenem (6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid Meropenem chebi_ontology (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]-1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Antibiotic SM 7338 MEPM meropenem meropenem anhydrous meropenemum CHEBI:43968 meropenem Beilstein:6826115 Beilstein CAS:96036-03-2 ChemIDplus Drug_Central:1709 DrugCentral PMID:10776838 Europe PMC PMID:11069213 Europe PMC PMID:18611786 Europe PMC PMID:18645546 Europe PMC PMID:28343819 Europe PMC PMID:28371721 Europe PMC PMID:28583381 Europe PMC PMID:28669829 Europe PMC PMID:28677407 Europe PMC PMID:7588092 Europe PMC (6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid IUPAC Meropenem ChemIDplus (1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMINOCARBONYLPYRROLIDIN-3-YLTHIO]-6-[(R)-1-HYDROXYETHYL]-1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID PDBeChem (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Antibiotic SM 7338 DrugBank MEPM ChEBI meropenem ChEBI meropenem anhydrous ChemIDplus meropenemum DrugBank A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae. 0 C28H47NO4S InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 UURAUHCOJAIIRQ-QGLSALSOSA-N 493.74200 493.32258 CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)[C@H](C)CC3 CHEBI:29695 CAS:55297-95-5 KEGG:C12065 KEGG:D06127 PDBeChem:MUL PMID:15013817 PMID:16253666 PMID:25592328 PMID:3170319 PMID:3686511 Patent:DE2248237 Patent:US3919290 Reaxys:7348837 Wikipedia:Tiamulin (3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate chebi_ontology tiamulin tiamulina tiamuline tiamulinum CHEBI:44137 tiamulin CAS:55297-95-5 ChemIDplus CAS:55297-95-5 KEGG COMPOUND PMID:15013817 Europe PMC PMID:16253666 Europe PMC PMID:25592328 Europe PMC PMID:3170319 Europe PMC PMID:3686511 Europe PMC Reaxys:7348837 Reaxys (3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate IUPAC tiamulin WHO_MedNet tiamulina WHO_MedNet tiamuline WHO_MedNet tiamulinum WHO_MedNet A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids. 0 H3O3P InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3) ABLZXFCXXLZCGV-UHFFFAOYSA-N 81.99580 81.98198 OP(O)=O CHEBI:26067 CAS:13598-36-2 Gmelin:1619 KEGG:C06701 PDBeChem:PHS Reaxys:1209272 Wikipedia:Phosphonic_acid Phosphonic acid dihydrogen hydridotrioxophosphate(2-) hydridodihydroxidooxidophosphorus hydridotrioxophosphoric(2-) acid phosphonic acid chebi_ontology (HO)2HPO H2PHO3 H3PO3 HPO(OH)2 Phosphite Phosphonate Phosphonsaeure [PHO(OH)2] CHEBI:44976 phosphonic acid CAS:13598-36-2 ChemIDplus CAS:13598-36-2 KEGG COMPOUND CAS:13598-36-2 NIST Chemistry WebBook Gmelin:1619 Gmelin Reaxys:1209272 Reaxys Phosphonic acid KEGG_COMPOUND dihydrogen hydridotrioxophosphate(2-) IUPAC hydridodihydroxidooxidophosphorus IUPAC hydridotrioxophosphoric(2-) acid IUPAC phosphonic acid ChEBI (HO)2HPO NIST_Chemistry_WebBook H2PHO3 IUPAC H3PO3 ChEBI HPO(OH)2 IUPAC Phosphite KEGG_COMPOUND Phosphonate KEGG_COMPOUND Phosphonsaeure ChEBI [PHO(OH)2] IUPAC A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid. -3 O3P InChI=1S/O3P/c1-4(2)3/q-3 AQSJGOWTSHOLKH-UHFFFAOYSA-N 78.97196 78.96015 [O-]P([O-])[O-] CHEBI:29197 CHEBI:45060 Gmelin:68617 PDBeChem:PO3 trioxidophosphate(3-) trioxophosphate(3-) trioxophosphate(III) chebi_ontology PHOSPHITE ION PO3(3-) Phosphit [PO3](3-) phosphite CHEBI:45064 phosphite(3-) Gmelin:68617 Gmelin trioxidophosphate(3-) IUPAC trioxophosphate(3-) IUPAC trioxophosphate(III) IUPAC PHOSPHITE ION PDBeChem PO3(3-) IUPAC Phosphit ChEBI [PO3](3-) IUPAC phosphite IUPAC A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. 0 C19H24N4O2 InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) XDRYMKDFEDOLFX-UHFFFAOYSA-N 340.420 340.18993 C(CCCOC1=CC=C(C=C1)C(N)=N)COC2=CC=C(C=C2)C(N)=N CHEBI:45077 CHEBI:7976 Beilstein:3159790 CAS:100-33-4 DrugBank:DB00738 Drug_Central:2090 HMDB:HMDB0014876 KEGG:C07420 KEGG:D08333 LINCS:LSM-4540 PDBeChem:PNT PMID:10415905 PMID:10917591 PMID:11438428 PMID:11584934 PMID:14603035 PMID:15711592 PMID:18346045 PMID:18971316 PMID:19966562 PMID:20144237 PMID:20599360 PMID:22046004 PMID:22093811 PMID:22200378 PMID:22327112 PMID:26052915 PMID:26117647 PMID:26295040 PMID:26344166 PMID:26418240 PMID:26431253 PMID:26515653 PMID:26606757 PMID:26648589 PMID:26734860 PMID:26824946 PMID:26828608 PMID:26882015 PMID:26903605 PMID:26938448 PMID:27011917 PMID:27135970 PMID:27164533 PMID:27214074 PMID:27297108 PMID:27353022 PMID:27357655 PMID:27600039 PMID:27729250 PMID:28074607 PMID:28167598 PMID:28263303 PMID:7542607 PMID:7690919 PMID:8841838 Patent:EP975608 Patent:GB507565 Patent:US2006235001 Patent:US2008167296 Patent:US2008214569 Patent:US2394003 Patent:US7115665 Reaxys:3159790 Wikipedia:Pentamidine 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide Pentamidine chebi_ontology 1,5-bis(4-amidinophenoxy)pentane 4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide 4,4'-(pentamethylenedioxy)dibenzamidine 4,4'-Diamidinodiphenoxypentane p,p'-(pentamethylenedioxy)dibenzamidine pentamidin pentamidine CHEBI:45081 pentamidine Beilstein:3159790 ChemIDplus CAS:100-33-4 ChemIDplus CAS:100-33-4 KEGG COMPOUND Drug_Central:2090 DrugCentral PMID:10415905 Europe PMC PMID:10917591 Europe PMC PMID:11438428 Europe PMC PMID:11584934 Europe PMC PMID:14603035 Europe PMC PMID:15711592 Europe PMC PMID:18346045 Europe PMC PMID:18971316 Europe PMC PMID:19966562 Europe PMC PMID:20144237 Europe PMC PMID:20599360 Europe PMC PMID:22046004 Europe PMC PMID:22093811 Europe PMC PMID:22200378 Europe PMC PMID:22327112 Europe PMC PMID:26052915 Europe PMC PMID:26117647 Europe PMC PMID:26295040 Europe PMC PMID:26344166 Europe PMC PMID:26418240 Europe PMC PMID:26431253 Europe PMC PMID:26515653 Europe PMC PMID:26606757 Europe PMC PMID:26648589 Europe PMC PMID:26734860 Europe PMC PMID:26824946 Europe PMC PMID:26828608 Europe PMC PMID:26882015 Europe PMC PMID:26903605 Europe PMC PMID:26938448 Europe PMC PMID:27011917 Europe PMC PMID:27135970 Europe PMC PMID:27164533 Europe PMC PMID:27214074 Europe PMC PMID:27297108 Europe PMC PMID:27353022 Europe PMC PMID:27357655 Europe PMC PMID:27600039 Europe PMC PMID:27729250 Europe PMC PMID:28074607 Europe PMC PMID:28167598 Europe PMC PMID:28263303 Europe PMC PMID:7542607 Europe PMC PMID:7690919 Europe PMC PMID:8841838 Europe PMC Reaxys:3159790 Reaxys 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide IUPAC Pentamidine KEGG_COMPOUND 1,5-bis(4-amidinophenoxy)pentane ChEBI 4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide ChemIDplus 4,4'-(pentamethylenedioxy)dibenzamidine ChemIDplus 4,4'-Diamidinodiphenoxypentane DrugBank p,p'-(pentamethylenedioxy)dibenzamidine ChemIDplus pentamidin DrugCentral pentamidine KEGG_DRUG A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group. 0 C19H17Cl2N3O5S InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1 YFAGHNZHGGCZAX-JKIFEVAISA-N 470.32600 469.02660 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C(O)=O Beilstein:1233662 CAS:3116-76-5 DrugBank:DB00485 Drug_Central:866 KEGG:C06950 KEGG:D02348 LINCS:LSM-5234 PMID:26962156 PMID:28721014 PMID:29017833 PMID:29105855 PMID:29253094 PMID:29504695 Patent:GB978299 Patent:US3239507 Reaxys:1233662 Wikipedia:Dicloxacillin 6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylic acid Dicloxacillin chebi_ontology (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid dicloxacilina dicloxacilline dicloxacillinum CHEBI:4511 dicloxacillin Beilstein:1233662 Beilstein CAS:3116-76-5 KEGG COMPOUND Drug_Central:866 DrugCentral PMID:26962156 Europe PMC PMID:28721014 Europe PMC PMID:29017833 Europe PMC PMID:29105855 Europe PMC PMID:29253094 Europe PMC PMID:29504695 Europe PMC Reaxys:1233662 Reaxys 6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylic acid IUPAC Dicloxacillin KEGG_COMPOUND (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC dicloxacilina DrugBank dicloxacilline DrugBank dicloxacillinum DrugBank A carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp. 0 C14H21NO4 InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N 267.32080 267.14706 CCOc1ccc(NC(=O)OC(C)C)cc1OCC CAS:87130-20-9 KEGG:C11077 PMID:21174194 PMID:21763813 PMID:22921656 PMID:23404952 PMID:23597988 PMID:23760810 PMID:24679760 PMID:24817605 PMID:24861738 PMID:24973804 PPDB:228 Pesticides:diethofencarb Reaxys:8393454 propan-2-yl (3,4-diethoxyphenyl)carbamate chebi_ontology 1-Methylethyl (3,4-diethoxyphenyl)carbamate 1-methylethyl N-(3,4-diethoxyphenyl)carbamate Isopropyl 3,4-diethoxycarbanilate isopropyl (3,4-diethoxyphenyl)carbamate CHEBI:4520 diethofencarb CAS:87130-20-9 ChemIDplus CAS:87130-20-9 KEGG COMPOUND CAS:87130-20-9 NIST Chemistry WebBook PMID:21174194 Europe PMC PMID:21763813 Europe PMC PMID:22921656 Europe PMC PMID:23404952 Europe PMC PMID:23597988 Europe PMC PMID:23760810 Europe PMC PMID:24679760 Europe PMC PMID:24817605 Europe PMC PMID:24861738 Europe PMC PMID:24973804 Europe PMC Pesticides:diethofencarb Alan Wood's Pesticides Reaxys:8393454 Reaxys propan-2-yl (3,4-diethoxyphenyl)carbamate IUPAC 1-Methylethyl (3,4-diethoxyphenyl)carbamate ChemIDplus 1-methylethyl N-(3,4-diethoxyphenyl)carbamate Alan_Wood's_Pesticides Isopropyl 3,4-diethoxycarbanilate ChemIDplus isopropyl (3,4-diethoxyphenyl)carbamate IUPAC A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis. 0 C5H5N3O InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) IPEHBUMCGVEMRF-UHFFFAOYSA-N 123.11282 123.04326 NC(=O)c1cnccn1 CHEBI:45281 CHEBI:8656 Beilstein:112306 CAS:98-96-4 DrugBank:DB00339 Drug_Central:2328 Gmelin:279021 HMDB:HMDB0014483 KEGG:C01956 KEGG:D00144 LINCS:LSM-5425 PDBeChem:PZA PMID:14977529 PMID:18517115 PMID:18604033 Reaxys:112306 Wikipedia:Pyrazinamide pyrazine-2-carboxamide chebi_ontology 2-carbamylpyrazine 2-pyrazinecarboxamide PYRAZINE-2-CARBOXAMIDE Pyrazinamide Pyrazinoic acid amide pyrazinamida pyrazinamide pyrazinamidum pyrazine carboxamide pyrazineamide CHEBI:45285 pyrazinecarboxamide Beilstein:112306 Beilstein CAS:98-96-4 ChemIDplus CAS:98-96-4 KEGG COMPOUND CAS:98-96-4 NIST Chemistry WebBook Drug_Central:2328 DrugCentral Gmelin:279021 Gmelin PMID:14977529 Europe PMC PMID:18517115 Europe PMC PMID:18604033 Europe PMC Reaxys:112306 Reaxys pyrazine-2-carboxamide IUPAC 2-carbamylpyrazine ChemIDplus 2-pyrazinecarboxamide ChemIDplus PYRAZINE-2-CARBOXAMIDE PDBeChem Pyrazinamide KEGG_COMPOUND Pyrazinoic acid amide KEGG_COMPOUND pyrazinamida WHO_MedNet pyrazinamide UniProt pyrazinamide WHO_MedNet pyrazinamidum WHO_MedNet pyrazine carboxamide NIST_Chemistry_WebBook pyrazineamide NIST_Chemistry_WebBook 0 C46H62N4O11 InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 ATEBXHFBFRCZMA-VXTBVIBXSA-N 847.00484 846.44151 CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC5)CC(C)C)N=C1c4c3C2=O CHEBI:45364 CHEBI:8857 CAS:72559-06-9 DrugBank:DB00615 Drug_Central:2376 KEGG:C07235 KEGG:D00424 KNApSAcK:C00027872 Wikipedia:Rifabutin Rifabutin chebi_ontology 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S 4-N-isobutylspiropiperidylrifamycin S Mycobutin (TN) CHEBI:45367 rifabutin CAS:72559-06-9 ChemIDplus CAS:72559-06-9 KEGG COMPOUND Drug_Central:2376 DrugCentral Rifabutin KEGG_COMPOUND Rifabutin KEGG_DRUG 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV ChemIDplus 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S ChemIDplus 4-N-isobutylspiropiperidylrifamycin S ChemIDplus Mycobutin (TN) KEGG_DRUG A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position. 0 C6H8N2O2S InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N 172.20600 172.03065 Nc1ccc(cc1)S(N)(=O)=O CHEBI:45370 CHEBI:9333 Beilstein:511852 CAS:63-74-1 DrugBank:DB00259 Drug_Central:2521 Gmelin:83068 HMDB:HMDB0014404 KEGG:C07458 KEGG:D08543 LINCS:LSM-6524 PDBeChem:SAN PMID:22214209 PMID:22342371 PMID:22974493 PMID:23061287 PMID:23065453 PMID:23122138 PMID:23294218 PMID:23476893 PMID:23561569 PMID:2420897 PMID:9639594 Reaxys:511852 VSDB:1924 Wikipedia:Sulfanilamide 4-aminobenzenesulfonamide SULFANILAMIDE Sulfanilamide chebi_ontology 4-aminobenzene sulfonic acid amide 4-azanylbenzenesulfonamide Prontosil album SA Streptocide Sulfamine p-aminobenzenesulfamide p-aminobenzenesulfonamide para-aminobenzenesulfonamide sulfamine sulphanilamide CHEBI:45373 sulfanilamide Beilstein:511852 Beilstein CAS:63-74-1 ChemIDplus CAS:63-74-1 KEGG COMPOUND CAS:63-74-1 NIST Chemistry WebBook Drug_Central:2521 DrugCentral Gmelin:83068 Gmelin PMID:22214209 Europe PMC PMID:22342371 Europe PMC PMID:22974493 Europe PMC PMID:23061287 Europe PMC PMID:23065453 Europe PMC PMID:23122138 Europe PMC PMID:23294218 Europe PMC PMID:23476893 Europe PMC PMID:23561569 Europe PMC PMID:2420897 Europe PMC PMID:9639594 Europe PMC Reaxys:511852 Reaxys 4-aminobenzenesulfonamide IUPAC SULFANILAMIDE PDBeChem Sulfanilamide KEGG_COMPOUND 4-aminobenzene sulfonic acid amide ChEBI 4-azanylbenzenesulfonamide IUPAC Prontosil album KEGG_COMPOUND SA ChEBI Streptocide NIST_Chemistry_WebBook Sulfamine KEGG_COMPOUND p-aminobenzenesulfamide NIST_Chemistry_WebBook p-aminobenzenesulfonamide NIST_Chemistry_WebBook para-aminobenzenesulfonamide ChEBI sulfamine NIST_Chemistry_WebBook sulphanilamide ChEBI 0 C12H26O4S InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15) MOTZDAYCYVMXPC-UHFFFAOYSA-N 266.39844 266.15518 CCCCCCCCCCCCOS(O)(=O)=O CHEBI:32953 CHEBI:45595 Beilstein:1710530 CAS:151-41-7 Gmelin:220505 PDBeChem:SDS dodecyl hydrogen sulfate chebi_ontology DODECYL SULFATE lauryl sulfuric acid monododecyl hydrogen sulfate sulfuric acid, monododecyl ester CHEBI:45599 dodecyl hydrogen sulfate Beilstein:1710530 ChemIDplus CAS:151-41-7 ChemIDplus Gmelin:220505 Gmelin dodecyl hydrogen sulfate IUPAC DODECYL SULFATE PDBeChem lauryl sulfuric acid ChemIDplus monododecyl hydrogen sulfate ChemIDplus sulfuric acid, monododecyl ester ChemIDplus A hydroxamic acid that is N-hydroxybenzamide carrying a phenolic hydroxy group at position 2. 0 C7H7NO3 InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N 153.13540 153.04259 ONC(=O)c1ccccc1O CHEBI:9007 CAS:89-73-6 DrugBank:DB03819 KEGG:C11343 MetaCyc:CPD-6543 PDBeChem:SHA PMID:16667326 PMID:1847381 PMID:22554042 PMID:23416493 PMID:24603484 PMID:24888389 PMID:2543361 Patent:CN101519365 Reaxys:1210520 Wikipedia:Salicylhydroxamic_acid N,2-dihydroxybenzamide chebi_ontology 2-Hydroxybenzhydroxamic acid 2-Hydroxybenzohydroxamic acid SHAM Salicylohydroximic acid o-Hydroxybenzohydroxamic acid CHEBI:45615 salicylhydroxamic acid CAS:89-73-6 ChemIDplus CAS:89-73-6 KEGG COMPOUND PMID:16667326 Europe PMC PMID:1847381 Europe PMC PMID:22554042 Europe PMC PMID:23416493 Europe PMC PMID:24603484 Europe PMC PMID:24888389 Europe PMC PMID:2543361 Europe PMC Reaxys:1210520 Reaxys N,2-dihydroxybenzamide IUPAC 2-Hydroxybenzhydroxamic acid ChemIDplus 2-Hydroxybenzohydroxamic acid ChemIDplus SHAM ChEBI Salicylohydroximic acid ChemIDplus o-Hydroxybenzohydroxamic acid ChemIDplus -1 HO4S InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1 QAOWNCQODCNURD-UHFFFAOYSA-M 97.07154 96.96010 [H]OS([O-])(=O)=O CHEBI:29199 CHEBI:45693 Gmelin:2121 hydrogen(tetraoxidosulfate)(1-) hydrogensulfate hydrogensulfate(1-) hydrogentetraoxosulfate(1-) hydrogentetraoxosulfate(VI) hydroxidotrioxidosulfate(1-) chebi_ontology HSO4(-) HYDROGEN SULFATE [SO3(OH)](-) CHEBI:45696 hydrogensulfate Gmelin:2121 Gmelin hydrogen(tetraoxidosulfate)(1-) IUPAC hydrogensulfate IUPAC hydrogensulfate(1-) IUPAC hydrogentetraoxosulfate(1-) IUPAC hydrogentetraoxosulfate(VI) IUPAC hydroxidotrioxidosulfate(1-) IUPAC HSO4(-) IUPAC HYDROGEN SULFATE PDBeChem [SO3(OH)](-) IUPAC An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. 0 C14H18N4O3 InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N 290.318 290.13789 C=1(CC=2C(=NC(N)=NC2)N)C=C(C(OC)=C(C1)OC)OC CHEBI:45921 CHEBI:9731 Beilstein:625127 CAS:738-70-5 DrugBank:DB00440 Drug_Central:2755 Gmelin:808843 HMDB:HMDB0014583 KEGG:C01965 KEGG:D00145 LINCS:LSM-5246 PDBeChem:TOP PMID:10423629 PMID:10969053 PMID:11051625 PMID:14629008 PMID:15203044 PMID:16311012 PMID:18816075 PMID:25111783 PMID:25361939 PMID:26546758 PMID:26566149 PMID:26942256 PMID:26987772 PMID:28166217 PMID:7602118 PMID:8911701 Reaxys:625127 VSDB:1745 Wikipedia:Trimethoprim 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine TRIMETHOPRIM Trimethoprim chebi_ontology 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine Proloprim Trimpex CHEBI:45924 trimethoprim Beilstein:625127 Beilstein CAS:738-70-5 ChemIDplus CAS:738-70-5 KEGG COMPOUND CAS:738-70-5 NIST Chemistry WebBook Drug_Central:2755 DrugCentral Gmelin:808843 Gmelin PMID:10423629 Europe PMC PMID:10969053 Europe PMC PMID:11051625 Europe PMC PMID:14629008 Europe PMC PMID:15203044 Europe PMC PMID:16311012 Europe PMC PMID:18816075 Europe PMC PMID:25111783 Europe PMC PMID:25361939 Europe PMC PMID:26546758 Europe PMC PMID:26566149 Europe PMC PMID:26942256 Europe PMC PMID:26987772 Europe PMC PMID:28166217 Europe PMC PMID:7602118 Europe PMC PMID:8911701 Europe PMC Reaxys:625127 Reaxys 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine IUPAC TRIMETHOPRIM PDBeChem Trimethoprim KEGG_COMPOUND 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine NIST_Chemistry_WebBook 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine NIST_Chemistry_WebBook Proloprim ChemIDplus Trimpex ChemIDplus A member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium. 0 C10H7N3S InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N 201.24800 201.03607 c1nc(cs1)-c1nc2ccccc2[nH]1 CHEBI:45977 CHEBI:9526 Beilstein:611403 CAS:148-79-8 DrugBank:DB00730 Drug_Central:2621 HMDB:HMDB0014868 KEGG:D00372 LINCS:LSM-3741 MetaCyc:THIABENDAZOLE PDBeChem:TMG PMID:11226373 PMID:13900465 PMID:23790859 PMID:9009055 PPDB:629 Patent:US3017415 Pesticides:thiabendazole Reaxys:611403 VSDB:629 Wikipedia:Thiabendazole 2-(1,3-thiazol-4-yl)-1H-benzimidazole Thiabendazole chebi_ontology 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE 2-(1,3-thiazol-4-yl)benzimidazole 2-(4-thiazolyl)-1H-benzimidazole 2-(thiazol-4-yl)benzimidazole 4-(2-benzimidazolyl)thiazole Equizole MK 360 Mintezol TBZ Thibenzole Tiabendazole CHEBI:45979 thiabendazole Beilstein:611403 Beilstein CAS:148-79-8 ChemIDplus CAS:148-79-8 NIST Chemistry WebBook Drug_Central:2621 DrugCentral PMID:11226373 Europe PMC PMID:13900465 Europe PMC PMID:23790859 Europe PMC PMID:9009055 Europe PMC Pesticides:thiabendazole Alan Wood's Pesticides Reaxys:611403 Reaxys 2-(1,3-thiazol-4-yl)-1H-benzimidazole IUPAC Thiabendazole KEGG_COMPOUND 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE PDBeChem 2-(1,3-thiazol-4-yl)benzimidazole Alan_Wood's_Pesticides 2-(4-thiazolyl)-1H-benzimidazole Alan_Wood's_Pesticides 2-(thiazol-4-yl)benzimidazole Alan_Wood's_Pesticides 4-(2-benzimidazolyl)thiazole ChemIDplus Equizole ChemIDplus MK 360 ChemIDplus Mintezol KEGG_DRUG TBZ ChemIDplus Thibenzole ChemIDplus Tiabendazole KEGG_COMPOUND 0 C17H22N2O3 InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 RTKIYFITIVXBLE-QEQCGCAPSA-N 302.36826 302.16304 C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO CHEBI:39145 CHEBI:46022 Beilstein:5291761 CAS:58880-19-6 DrugBank:DB04297 HMDB:HMDB0259177 KNApSAcK:C00016002 PDBeChem:TSN PMID:10490031 PMID:15346199 PMID:16010430 PMID:18285338 PMID:19038231 PMID:21504214 PMID:25075551 PMID:27454931 PMID:30395713 PMID:31755702 PMID:32880591 PMID:33983895 PMID:34086940 Wikipedia:Trichostatin_A (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide TRICHOSTATIN A chebi_ontology (2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide TSA CHEBI:46024 trichostatin A Beilstein:5291761 Beilstein CAS:58880-19-6 ChemIDplus PMID:10490031 Europe PMC PMID:15346199 Europe PMC PMID:16010430 Europe PMC PMID:18285338 Europe PMC PMID:19038231 Europe PMC PMID:21504214 Europe PMC PMID:25075551 Europe PMC PMID:27454931 Europe PMC PMID:30395713 Europe PMC PMID:31755702 Europe PMC PMID:32880591 Europe PMC PMID:33983895 Europe PMC PMID:34086940 Europe PMC (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide IUPAC TRICHOSTATIN A PDBeChem (2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide ChemIDplus TSA ChemIDplus 0 C2H3N3 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) NSPMIYGKQJPBQR-UHFFFAOYSA-N 69.06544 69.03270 c1nnc[nH]1 CHEBI:35548 CHEBI:46076 Beilstein:605619 CAS:63598-71-0 Gmelin:323206 PDBeChem:TRI 4H-1,2,4-triazole chebi_ontology 1,2,4-TRIAZOLE CHEBI:46077 4H-1,2,4-triazole Beilstein:605619 Beilstein CAS:63598-71-0 ChemIDplus CAS:63598-71-0 NIST Chemistry WebBook Gmelin:323206 Gmelin 4H-1,2,4-triazole IUPAC 1,2,4-TRIAZOLE PDBeChem A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. 0 C13H12F2N6O InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 RFHAOTPXVQNOHP-UHFFFAOYSA-N 306.27080 306.10407 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F CHEBI:46079 CHEBI:5099 Beilstein:4269710 CAS:86386-73-4 DrugBank:DB00196 Drug_Central:1187 HMDB:HMDB0014342 KEGG:D00322 LINCS:LSM-2106 PDBeChem:TPF PMID:11366931 PMID:16822276 PMID:23171950 PMID:23793863 Patent:GB2099818 Patent:US4404216 Reaxys:7311650 Wikipedia:Fluconazole 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol fluconazole chebi_ontology 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL Biozole Diflucan Elazor Triflucan fluconazol fluconazole fluconazolum CHEBI:46081 fluconazole Beilstein:4269710 Beilstein CAS:86386-73-4 ChemIDplus Drug_Central:1187 DrugCentral PMID:11366931 Europe PMC PMID:16822276 Europe PMC PMID:23171950 Europe PMC PMID:23793863 Europe PMC Reaxys:7311650 Reaxys 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol IUPAC fluconazole UniProt 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol ChemIDplus 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL PDBeChem Biozole ChEBI Diflucan ChEBI Elazor ChemIDplus Triflucan ChEBI fluconazol ChemIDplus fluconazole ChemIDplus fluconazole WHO_MedNet fluconazolum ChemIDplus A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. 0 C43H49N7O10 InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1 FEPMHVLSLDOMQC-IYPFLVAKSA-N 823.89010 823.35409 CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O)c1ccccc1 CHEBI:9998 CAS:23152-29-6 DrugBank:DB04805 KEGG:C11269 PDBeChem:VRS PMID:1493906 PMID:22934408 PMID:3097264 PMID:4142724 Reaxys:3647647 Wikipedia:Virginiamycin_S1 N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide Virginiamycin S1 virginiamycin S1 chebi_ontology N-((3-hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone virginiamycin factor S CHEBI:46416 virginiamycin S1 CAS:23152-29-6 ChemIDplus CAS:23152-29-6 KEGG COMPOUND PMID:1493906 Europe PMC PMID:22934408 Europe PMC PMID:3097264 Europe PMC PMID:4142724 Europe PMC Reaxys:3647647 Reaxys N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide IUPAC Virginiamycin S1 KEGG_COMPOUND virginiamycin S1 ChemIDplus N-((3-hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone ChemIDplus N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine rho-lactone ChemIDplus virginiamycin factor S ChemIDplus The (R)-enantiomer of ofloxacin. 0 C18H20FN3O4 InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1 GSDSWSVVBLHKDQ-SNVBAGLBSA-N 361.373 361.14378 C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O CAS:100986-86-5 DrugBank:DB03034 PDBeChem:XED PMID:15769740 PMID:17870541 PMID:17937485 PMID:1992111 PMID:2079448 PMID:25069865 PMID:26179954 PMID:2824776 PMID:29513966 PMID:32208173 PMID:7478164 (3R)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid chebi_ontology (+)-ofloxacin (R)-(+)-ofloxacin (R)-ofloxacin D-levofloxacin D-ofloxacin DR 3354 DR-3354 DR3354 R-(+)-ofloxacin R-ofloxacin dextrofloxacine CHEBI:46577 dextrofloxacin CAS:100986-86-5 ChemIDplus PMID:15769740 Europe PMC PMID:17870541 Europe PMC PMID:17937485 Europe PMC PMID:1992111 Europe PMC PMID:2079448 Europe PMC PMID:25069865 Europe PMC PMID:26179954 Europe PMC PMID:2824776 Europe PMC PMID:29513966 Europe PMC PMID:32208173 Europe PMC PMID:7478164 Europe PMC (3R)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid IUPAC (+)-ofloxacin ChEBI (R)-(+)-ofloxacin ChEBI (R)-ofloxacin ChEBI D-levofloxacin DrugBank D-ofloxacin ChemIDplus DR 3354 ChEBI DR-3354 ChEBI DR3354 ChEBI R-(+)-ofloxacin ChEBI R-ofloxacin ChemIDplus dextrofloxacine PDBeChem 0 O 15.99940 15.99491 O=* CHEBI:29353 CHEBI:44607 PDBeChem:O OXO GROUP oxo chebi_ontology =O CHEBI:46629 oxo group OXO GROUP PDBeChem oxo IUPAC =O IUPAC The class of beta-lactam antibiotics that whose members have a carbapenem skeleton which is variously substituted at positions 3, 4, and 6. 0 C7H4NO3R3 150.112 150.01912 [H][C@@]12C([*])C(=O)N1C(C(O)=O)=C([*])C2[*] PMID:18076336 PMID:19199922 PMID:19610642 PMID:19617229 PMID:19929840 PMID:21859938 Wikipedia:Carbapenem chebi_ontology CHEBI:46633 carbapenems PMID:18076336 Europe PMC PMID:19199922 Europe PMC PMID:19610642 Europe PMC PMID:19617229 Europe PMC PMID:19929840 Europe PMC PMID:21859938 Europe PMC chebi_ontology carbapenemcarboxylic acids CHEBI:46634 carbapenemcarboxylic acid carbapenemcarboxylic acids ChEBI In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals'). Wikipedia:Mineral mineral chebi_ontology Minerale minerales minerals mineraux CHEBI:46662 mineral mineral ChEBI Minerale ChEBI minerales ChEBI minerals ChEBI mineraux ChEBI chebi_ontology azaalkanes CHEBI:46686 azaalkane azaalkanes ChEBI chebi_ontology diazaalkanes CHEBI:46687 diazaalkane diazaalkanes ChEBI chebi_ontology oxabicycloalkanes CHEBI:46733 oxabicycloalkane oxabicycloalkanes ChEBI Any molecule that contains two amino-acid residues connected by peptide linkages. CHEBI:23835 CHEBI:4634 KEGG:C00107 Dipeptide chebi_ontology Dipeptid dipeptides CHEBI:46761 dipeptide Dipeptide KEGG_COMPOUND Dipeptid ChEBI dipeptides ChEBI chebi_ontology pyrrolidinecarboxamides CHEBI:46770 pyrrolidinecarboxamide pyrrolidinecarboxamides ChEBI Any ether that contains more than one ether linkage. polyether chebi_ontology polyethers CHEBI:46774 polyether polyether ChEBI polyethers ChEBI A polyether in which the number of ether linkages is 2. diether chebi_ontology diethers CHEBI:46786 diether diether ChEBI diethers ChEBI A liquid that can dissolve other substances (solutes) without any change in their chemical composition. Wikipedia:Solvent chebi_ontology Loesungsmittel solvant solvents CHEBI:46787 solvent Loesungsmittel ChEBI solvant ChEBI solvents ChEBI chebi_ontology CHEBI:46812 1,3-oxazoles chebi_ontology N-acylpiperazines CHEBI:46844 N-acylpiperazine N-acylpiperazines ChEBI chebi_ontology N-alkylpiperazines CHEBI:46845 N-alkylpiperazine N-alkylpiperazines ChEBI chebi_ontology N-iminopiperazines CHEBI:46847 N-iminopiperazine N-iminopiperazines ChEBI chebi_ontology N-arylpiperazines CHEBI:46848 N-arylpiperazine N-arylpiperazines ChEBI chebi_ontology organoammonium salts CHEBI:46850 organoammonium salt organoammonium salts ChEBI 0 CHO2 45.01744 44.99765 *C(=O)O CHEBI:23025 CHEBI:41420 PDBeChem:FMT CARBOXY GROUP carboxy chebi_ontology -C(O)OH -CO2H -COOH carboxyl group CHEBI:46883 carboxy group CARBOXY GROUP PDBeChem carboxy IUPAC -C(O)OH IUPAC -CO2H ChEBI -COOH IUPAC carboxyl group ChEBI A compound consisting of a peptide with attached lipid. PMID:19889045 PMID:20545290 PMID:23131643 PMID:23318669 Wikipedia:Lipopeptide chebi_ontology LP lipopeptides CHEBI:46895 lipopeptide PMID:19889045 Europe PMC PMID:20545290 Europe PMC PMID:23131643 Europe PMC PMID:23318669 Europe PMC LP ChEBI lipopeptides ChEBI +1 C5H13N2O2 InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1 AHLPHDHHMVZTML-UHFFFAOYSA-O 133.16900 133.09715 [NH3+]CCCC([NH3+])C([O-])=O 2,5-diammoniopentanoate ornithinium ornithinium(1+) chebi_ontology ornithine monocation CHEBI:46912 ornithinium(1+) 2,5-diammoniopentanoate IUPAC ornithinium IUPAC ornithinium(1+) JCBN ornithine monocation JCBN +2 C5H14N2O2 InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2 AHLPHDHHMVZTML-UHFFFAOYSA-P 134.17694 134.10443 [NH3+]CCCC([NH3+])C(O)=O 1-carboxybutane-1,4-diaminium ornithinediium ornithinium(2+) chebi_ontology ornithine dication CHEBI:46913 ornithinium(2+) 1-carboxybutane-1,4-diaminium IUPAC ornithinediium IUPAC ornithinium(2+) JCBN ornithine dication JCBN chebi_ontology N-methylpiperazines CHEBI:46920 N-methylpiperazine N-methylpiperazines ChEBI Any organic heteromonocyclic compoundthat is oxane or its substituted derivatives. chebi_ontology tetrahydropyrans CHEBI:46942 oxanes tetrahydropyrans ChEBI chebi_ontology oxazinanes CHEBI:46952 oxazinane oxazinanes ChEBI chebi_ontology tetrahydrofuranols CHEBI:47017 tetrahydrofuranol tetrahydrofuranols ChEBI chebi_ontology dihydroxytetrahydrofurans CHEBI:47019 dihydroxytetrahydrofuran dihydroxytetrahydrofurans ChEBI A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup. 0 C12H17N3O4S InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1 ZSKVGTPCRGIANV-ZXFLCMHBSA-N 299.34720 299.09398 [H]C(=N)NCCSC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1)C(O)=O CHEBI:5879 Beilstein:434624 CAS:64221-86-9 DrugBank:DB01598 Drug_Central:1426 KEGG:C06665 KEGG:D04515 LINCS:LSM-6568 PMID:1384868 PMID:17361077 PMID:24112243 PMID:24247132 PMID:2457043 PMID:24903189 PMID:25216543 PMID:25351714 PMID:9131470 Patent:BE848545 Patent:US4194047 Reaxys:434624 Wikipedia:Imipenem (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Imipenem chebi_ontology (5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid (5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid (5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure Imipenem anhydrous N-formimidoyl thienamycin N-formimidoylthienamycin imipenemum CHEBI:471744 imipenem Beilstein:434624 Beilstein CAS:64221-86-9 ChemIDplus CAS:64221-86-9 KEGG COMPOUND Drug_Central:1426 DrugCentral PMID:1384868 Europe PMC PMID:17361077 Europe PMC PMID:24112243 Europe PMC PMID:24247132 Europe PMC PMID:2457043 Europe PMC PMID:24903189 Europe PMC PMID:25216543 Europe PMC PMID:25351714 Europe PMC PMID:9131470 Europe PMC Reaxys:434624 Reaxys (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Imipenem KEGG_COMPOUND (5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid ChemIDplus (5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid ChEMBL (5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure ChemIDplus Imipenem anhydrous KEGG_COMPOUND N-formimidoyl thienamycin Patent N-formimidoylthienamycin ChemIDplus imipenemum ChemIDplus A third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections. 0 C16H15N5O7S2 InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1 OKBVVJOGVLARMR-QSWIMTSFSA-N 453.45000 453.04129 [H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\c1csc(N)n1)C(O)=O CHEBI:3487 Beilstein:6025058 CAS:79350-37-1 DrugBank:DB00671 Drug_Central:537 KEGG:C06881 KEGG:D00258 PMID:17116681 PMID:29017833 Patent:EP30630 Patent:US4409214 7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (-)-cefixim (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid cefixima cefixime cefiximum CHEBI:472657 cefixime Beilstein:6025058 Beilstein CAS:79350-37-1 ChemIDplus CAS:79350-37-1 KEGG COMPOUND Drug_Central:537 DrugCentral PMID:17116681 ChEMBL PMID:29017833 Europe PMC 7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid IUPAC (-)-cefixim ChemIDplus (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC cefixima ChemIDplus cefixime ChemIDplus cefiximum ChemIDplus A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species. 0 C47H75NO17 InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 VQOXZBDYSJBXMA-NQTDYLQESA-N 926.107 925.50350 [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 CHEBI:31926 Beilstein:12153125 CAS:34786-70-4 HMDB:HMDB0242564 KEGG:C12155 LIPID_MAPS_instance:LMPK06000004 PMID:1086913 PMID:12230565 PMID:15034898 PMID:19362643 PMID:2010357 PMID:24231162 PMID:24924305 PMID:25082221 PMID:26233316 PMID:27379602 PMID:28488115 PMID:28555391 PMID:30206268 PMID:31924510 PMID:32038598 PMID:33932153 PMID:34275291 PMID:34938275 PMID:6331301 PMID:9188800 VSDB:2985 (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid nystatin A1 chebi_ontology CHEBI:473992 nystatin A1 Beilstein:12153125 Beilstein CAS:34786-70-4 ChemIDplus LIPID_MAPS_instance:LMPK06000004 LIPID MAPS PMID:1086913 Europe PMC PMID:12230565 Europe PMC PMID:15034898 Europe PMC PMID:19362643 Europe PMC PMID:2010357 Europe PMC PMID:24231162 Europe PMC PMID:24924305 Europe PMC PMID:25082221 Europe PMC PMID:26233316 Europe PMC PMID:27379602 Europe PMC PMID:28488115 Europe PMC PMID:28555391 Europe PMC PMID:30206268 Europe PMC PMID:31924510 Europe PMC PMID:32038598 Europe PMC PMID:33932153 Europe PMC PMID:34275291 Europe PMC PMID:34938275 Europe PMC PMID:6331301 Europe PMC PMID:9188800 Europe PMC (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid IUPAC nystatin A1 LIPID_MAPS A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively. 0 C14H14N8O4S3 InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 MLYYVTUWGNIJIB-BXKDBHETSA-N 454.511 454.03001 [C@]12(N(C(=C(CS1)CSC3=NN=C(S3)C)C(=O)O)C([C@H]2NC(=O)CN4C=NN=N4)=O)[H] CHEBI:3482 Beilstein:4169371 CAS:25953-19-9 DrugBank:DB01327 Drug_Central:530 HMDB:HMDB0015422 KEGG:C06880 KEGG:D02299 LINCS:LSM-34744 PMID:12569987 PMID:2083978 PMID:22011388 PMID:23702270 PMID:24462449 PMID:28543395 PMID:29017833 PMID:6176550 Patent:US3516997 Reaxys:4169371 VSDB:1910 Wikipedia:Cefazolin 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid chebi_ontology (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CEZ Cefamezin Cephamezine Cephazolidin Cephazolin Cephazoline cefazolin cefazolina cefazoline cefazolinum CHEBI:474053 cefazolin Beilstein:4169371 Beilstein CAS:25953-19-9 ChemIDplus CAS:25953-19-9 DrugBank CAS:25953-19-9 KEGG COMPOUND CAS:25953-19-9 KEGG DRUG Drug_Central:530 DrugCentral PMID:12569987 Europe PMC PMID:2083978 Europe PMC PMID:22011388 Europe PMC PMID:23702270 Europe PMC PMID:24462449 Europe PMC PMID:28543395 Europe PMC PMID:29017833 Europe PMC PMID:6176550 Europe PMC Reaxys:4169371 Reaxys 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid IUPAC (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC CEZ ChEBI Cefamezin ChemIDplus Cephamezine ChemIDplus Cephazolidin ChemIDplus Cephazolin ChemIDplus Cephazoline ChemIDplus cefazolin ChemIDplus cefazolina ChemIDplus cefazoline ChemIDplus cefazolinum ChemIDplus A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. 0 C52H88N10O15 InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1 JYIKNQVWKBUSNH-WVDDFWQHSA-N 1093.315 1092.64306 [C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](NCCN)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CCN)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H] CHEBI:599509 Beilstein:8471798 CAS:162808-62-0 DrugBank:DB00520 Drug_Central:2977 KEGG:D07626 PMID:24270605 Patent:US5378804 Patent:WO9421677 (10R,12S)-N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide Caspofungin chebi_ontology (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0 caspofungin CHEBI:474180 caspofungin Beilstein:8471798 Beilstein CAS:162808-62-0 ChemIDplus CAS:162808-62-0 KEGG DRUG Drug_Central:2977 DrugCentral PMID:24270605 Europe PMC (10R,12S)-N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide IUPAC Caspofungin ChEMBL (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide ChemIDplus 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0 ChEBI caspofungin ChemIDplus A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration. 0 C26H28Cl2N4O4 InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 XMAYWYJOQHXEEK-ZEQKJWHPSA-N 531.43048 530.14876 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Beilstein:5488107 PDBeChem:KLN (2S,4R)-ketoconazole 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine chebi_ontology (2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE CHEBI:47518 (2S,4R)-ketoconazole Beilstein:5488107 Beilstein (2S,4R)-ketoconazole UniProt 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine IUPAC (2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine ChEBI 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE PDBeChem A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-ketoconazole. 0 C26H28Cl2N4O4 531.43048 530.14876 CHEBI:6126 Beilstein:4303081 CAS:65277-42-1 DrugBank:DB01026 Gmelin:1713206 HMDB:HMDB0012242 KEGG:D00351 Patent:DE2804096 Patent:US4144346 rac-1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine chebi_ontology (+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine Fungarest Fungoral Ketoderm Ketoisdin Nizoral Panfungol Xolegel cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine ketoconazol ketoconazole ketoconazolum CHEBI:47519 ketoconazole Beilstein:4303081 ChemIDplus CAS:65277-42-1 ChemIDplus CAS:65277-42-1 KEGG DRUG Gmelin:1713206 Gmelin rac-1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine IUPAC (+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine ChemIDplus Fungarest DrugBank Fungoral DrugBank Ketoderm DrugBank Ketoisdin DrugBank Nizoral KEGG_DRUG Panfungol DrugBank Xolegel KEGG_DRUG cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine ChemIDplus ketoconazol WHO_MedNet ketoconazole ChemIDplus ketoconazole WHO_MedNet ketoconazolum ChemIDplus A peptide antibiotic that is vancomycin lacking the disaccharide moiety. 0 C53H52Cl2N8O17 InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39-,40-,41+,42-,43+,44-,45-/m1/s1 JHIKFOISFAQTJQ-YZANBJIASA-N 1143.92900 1142.28275 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O)c(Cl)c2 CAS:82198-76-3 MetaCyc:CPD-15745 PMID:11470430 PMID:14649827 PMID:15785812 PMID:22177724 Reaxys:6049255 (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid chebi_ontology Aglucovancomycin B Balhimycin aglycon CHEBI:47724 vancomycin aglycone CAS:82198-76-3 ChemIDplus PMID:11470430 Europe PMC PMID:14649827 Europe PMC PMID:15785812 Europe PMC PMID:22177724 Europe PMC Reaxys:6049255 Reaxys (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37,48-hexahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid IUPAC Aglucovancomycin B ChemIDplus Balhimycin aglycon ChemIDplus chebi_ontology aminoglycosides CHEBI:47779 aminoglycoside aminoglycosides ChEBI chebi_ontology penamcarboxylates CHEBI:47811 penamcarboxylate penamcarboxylates ChEBI A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. 0 C19H24N6O5S2 InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1 HVFLCNVBZFFHBT-ZKDACBOMSA-N 480.56100 480.12496 [H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O CHEBI:3486 CHEBI:473919 Beilstein:7453587 CAS:88040-23-7 DrugBank:DB01413 Drug_Central:535 KEGG:C08111 KEGG:D02376 PMID:11084674 PMID:11179650 PMID:11191931 PMID:11260566 PMID:11280610 PMID:11303846 PMID:11306793 PMID:11328792 PMID:11431192 PMID:11442796 PMID:11864944 PMID:11910959 PMID:11964152 PMID:12848746 PMID:14628573 PMID:14642333 PMID:15303411 PMID:15494381 PMID:15830071 PMID:15978309 PMID:15980347 PMID:16207962 PMID:16650951 PMID:16705389 PMID:16930923 PMID:17042189 PMID:17214092 PMID:17323865 PMID:17448937 PMID:17625777 PMID:18025111 PMID:18154532 PMID:18651542 PMID:18673128 PMID:18717040 PMID:19053894 PMID:19304881 PMID:21425867 PMID:28543395 PMID:29017833 Patent:DE3307550 Patent:US4406899 Reaxys:7453587 Wikipedia:Cefepime 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylate Cefepime cefepime chebi_ontology (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CFPM cefepima cefepime cefepimum CHEBI:478164 cefepime Beilstein:7453587 Beilstein CAS:88040-23-7 KEGG COMPOUND Drug_Central:535 DrugCentral PMID:11084674 Europe PMC PMID:11179650 Europe PMC PMID:11191931 Europe PMC PMID:11260566 Europe PMC PMID:11280610 Europe PMC PMID:11303846 Europe PMC PMID:11306793 Europe PMC PMID:11328792 Europe PMC PMID:11431192 Europe PMC PMID:11442796 Europe PMC PMID:11864944 Europe PMC PMID:11910959 Europe PMC PMID:11964152 Europe PMC PMID:12848746 Europe PMC PMID:14628573 Europe PMC PMID:14642333 Europe PMC PMID:15303411 Europe PMC PMID:15494381 Europe PMC PMID:15830071 Europe PMC PMID:15978309 Europe PMC PMID:15980347 Europe PMC PMID:16207962 Europe PMC PMID:16650951 Europe PMC PMID:16705389 Europe PMC PMID:16930923 Europe PMC PMID:17042189 Europe PMC PMID:17214092 Europe PMC PMID:17323865 Europe PMC PMID:17448937 Europe PMC PMID:17625777 Europe PMC PMID:18025111 Europe PMC PMID:18154532 Europe PMC PMID:18651542 Europe PMC PMID:18673128 Europe PMC PMID:18717040 Europe PMC PMID:19053894 Europe PMC PMID:19304881 Europe PMC PMID:21425867 Europe PMC PMID:28543395 Europe PMC PMID:29017833 Europe PMC Reaxys:7453587 Reaxys 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylate IUPAC Cefepime KEGG_COMPOUND cefepime ChEMBL (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC CFPM ChEBI cefepima ChemIDplus cefepime ChemIDplus cefepimum ChemIDplus CHEBI:27220 CHEBI:36947 chebi_ontology urea derivatives CHEBI:47857 ureas urea derivatives ChEBI Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc. chebi_ontology Indikator CHEBI:47867 indicator Indikator ChEBI CHEBI:26762 KEGG:C15506 chebi_ontology steroid esters CHEBI:47880 steroid ester steroid esters ChEBI 0 C3H2O3R2 86.046 86.00039 CHEBI:13600 CHEBI:1619 CHEBI:35949 KEGG:C01656 chebi_ontology 3-Keto acid 3-Oxo acid 3-oxo monocarboxylic acids 3-oxomonocarboxylic acid 3-oxomonocarboxylic acids CHEBI:47881 3-oxo monocarboxylic acid 3-Keto acid KEGG_COMPOUND 3-Oxo acid KEGG_COMPOUND 3-oxo monocarboxylic acids ChEBI 3-oxomonocarboxylic acid ChEBI 3-oxomonocarboxylic acids ChEBI Any steroid substituted by at least one carboxy group. chebi_ontology steroid acids CHEBI:47891 steroid acid steroid acids ChEBI Any primary amide having its amide oxygen replaced by sulfur. chebi_ontology thioamide thiocarboxamides thionoamide CHEBI:47956 thiocarboxamide thioamide ChEBI thiocarboxamides ChEBI thionoamide ChEBI Ethers ROR' where R has a double bond adjacent to the oxygen of the ether linkage. 0 C2OR4 40.02080 39.99491 [*]\C([*])=C(\[*])O[*] enol ether chebi_ontology enol ethers CHEBI:47985 enol ether enol ether ChEBI enol ethers ChEBI A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein. chebi_ontology protein synthesis antagonist protein synthesis antagonists protein synthesis inhibitors CHEBI:48001 protein synthesis inhibitor protein synthesis antagonist ChEBI protein synthesis antagonists ChEBI protein synthesis inhibitors ChEBI A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. 0 C16H24O4 InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1 KQNZDYYTLMIZCT-KQPMLPITSA-N 280.35936 280.16746 [H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\C=C\C(=O)O[C@@H](C)CCC\C=C\2 Beilstein:25191 Beilstein:5282047 CAS:20350-15-6 (1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one Brefeldin A chebi_ontology ascotoxin cyanein decumbin CHEBI:48080 brefeldin A Beilstein:25191 Beilstein Beilstein:5282047 Beilstein CAS:20350-15-6 ChemIDplus (1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one IUPAC Brefeldin A ChemIDplus ascotoxin ChemIDplus cyanein ChemIDplus decumbin ChemIDplus A racemate composed of equimolar amounts of (2S,3R)- and (2R,3S)-epoxiconazole. A broad-spectrum fungicide for control of diseases caused by Ascomycetes, Basidiomycetes and Deuteromycetes. Epoxiconazole is moderately toxic to birds, honeybees, earthworms and most aquatic organisms. 0 C17H13ClFN3O 329.75600 329.07312 CAS:133855-98-8 KEGG:C11229 PMID:24274332 PMID:24364671 PMID:24550150 Pesticides:epoxiconazole Reaxys:8150613 Wikipedia:Epoxiconazole rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole chebi_ontology (2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole CHEBI:4811 epoxiconazole CAS:133855-98-8 ChemIDplus CAS:133855-98-8 KEGG COMPOUND PMID:24274332 Europe PMC PMID:24364671 Europe PMC PMID:24550150 Europe PMC Pesticides:epoxiconazole Alan Wood's Pesticides Reaxys:8150613 Reaxys rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole IUPAC (2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole Alan_Wood's_Pesticides rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole Alan_Wood's_Pesticides An olefin that contains more than one carbon-carbon double bond. chebi_ontology polyenes CHEBI:48121 polyene polyenes ChEBI A polyketide based on a tetracene ring structure. chebi_ontology tetracenomycins CHEBI:48132 tetracenomycin tetracenomycins ChEBI chebi_ontology Schwefeloxide oxides of sulfur sulfur oxides CHEBI:48154 sulfur oxide Schwefeloxide ChEBI oxides of sulfur ChEBI sulfur oxides ChEBI An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. chebi_ontology Desinfektionsmittel desinfectant disinfectants disinfecting agent CHEBI:48219 disinfectant Desinfektionsmittel ChEBI desinfectant ChEBI disinfectants ChEBI disinfecting agent ChEBI A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration. 0 C26H28Cl2N4O4 InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 XMAYWYJOQHXEEK-OZXSUGGESA-N 531.43100 530.14876 CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Beilstein:4241048 LINCS:LSM-5430 PDBeChem:KKK Reaxys:4241048 (2R,4S)-ketoconazole 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine chebi_ontology (2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine CHEBI:48336 (2R,4S)-ketoconazole Beilstein:4241048 Beilstein Reaxys:4241048 Reaxys (2R,4S)-ketoconazole UniProt 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine IUPAC (2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine ChEBI A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. 0 C26H28Cl2N4O4 InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3 XMAYWYJOQHXEEK-UHFFFAOYSA-N 531.43048 530.14876 CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Beilstein:634785 DrugBank:DB01026 LINCS:LSM-5148 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine chebi_ontology CHEBI:48339 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine Beilstein:634785 Beilstein 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine IUPAC Compounds of structure RSSR'. chebi_ontology disulfides CHEBI:48343 disulfide disulfides ChEBI A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. polar solvent chebi_ontology polar solvents CHEBI:48354 polar solvent polar solvent IUPAC polar solvents ChEBI chebi_ontology CHEBI:48355 non-polar solvent A polar solvent that is capable of acting as a hydron (proton) donor. protogenic solvent chebi_ontology CHEBI:48356 protic solvent protogenic solvent IUPAC Solvent that is capable of acting as a hydron (proton) acceptor. protophilic solvent chebi_ontology HBA solvent hydrogen bond acceptor solvent CHEBI:48359 protophilic solvent protophilic solvent IUPAC HBA solvent ChEBI hydrogen bond acceptor solvent ChEBI Self-ionizing solvent possessing both characteristics of Bronsted acids and bases. amphiprotic solvent chebi_ontology CHEBI:48360 amphiprotic solvent amphiprotic solvent IUPAC 0 CH4N2O InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) XSQUKJJJFZCRTK-UHFFFAOYSA-N 60.05534 60.03236 NC(O)=N Beilstein:773698 CAS:4744-36-9 carbamimidic acid chebi_ontology H2N-C(=NH)-OH H2N-C(OH)=NH HO-C(=NH)-NH2 Isoharnstoff carbamimic acid carbonamidimidic acid isourea pseudourea CHEBI:48376 carbamimidic acid Beilstein:773698 Beilstein CAS:4744-36-9 ChemIDplus carbamimidic acid IUPAC H2N-C(=NH)-OH IUPAC H2N-C(OH)=NH IUPAC HO-C(=NH)-NH2 IUPAC Isoharnstoff ChEBI carbamimic acid ChemIDplus carbonamidimidic acid IUPAC isourea ChemIDplus pseudourea ChemIDplus Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH). imidic acid imidic acids chebi_ontology imidic acids imino acids CHEBI:48377 imidic acid imidic acid ChEBI imidic acids IUPAC imidic acids ChEBI imino acids IUPAC carboximidic acid carboximidic acids chebi_ontology carboximidic acids CHEBI:48378 carboximidic acid carboximidic acid ChEBI carboximidic acids IUPAC carboximidic acids ChEBI A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. isoureas chebi_ontology isoureas CHEBI:48379 isourea isoureas IUPAC isoureas ChEBI An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. CHEBI:67170 Wikipedia:Angiogenesis_inhibitor chebi_ontology angiogenesis antagonist angiostatic agents anti-angiogenic agent CHEBI:48422 angiogenesis inhibitor angiogenesis antagonist ChEBI angiostatic agents ChEBI anti-angiogenic agent ChEBI chebi_ontology aryloxypyrimidines CHEBI:48535 aryloxypyrimidine aryloxypyrimidines ChEBI chebi_ontology piperidone CHEBI:48589 piperidones piperidone ChEBI chebi_ontology pyranoindolizinoquinolines CHEBI:48626 pyranoindolizinoquinoline pyranoindolizinoquinolines ChEBI Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own. agonist chebi_ontology agonista agoniste agonists CHEBI:48705 agonist agonist IUPAC agonista ChEBI agoniste ChEBI agonists ChEBI Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances. antagonist chebi_ontology antagonista antagoniste antagonists CHEBI:48706 antagonist antagonist IUPAC antagonista ChEBI antagoniste ChEBI antagonists ChEBI An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone. 0 C10H24N2O2 InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 AEUTYOVWOVBAKS-UWVGGRQHSA-N 204.30980 204.18378 CC[C@@H](CO)NCCN[C@@H](CC)CO CHEBI:133410 CHEBI:659237 CHEBI:678172 Beilstein:6312870 CAS:74-55-5 DrugBank:DB00330 Drug_Central:1073 KEGG:C06984 KEGG:D07925 PMID:10649975 PMID:10891117 PMID:10966749 PMID:12182855 PMID:14695841 PMID:14698152 PMID:15225698 PMID:16005211 PMID:16759086 PMID:16870429 PMID:17210775 PMID:17239593 PMID:17276683 PMID:17315960 PMID:17331717 PMID:17562368 PMID:17851083 PMID:17888665 PMID:19524332 PMID:19648006 PMID:3934384 Reaxys:6312870 Wikipedia:Ethambutol (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol Ethambutol chebi_ontology (+)-2,2'-(ethylenediimino)di-1-butanol (+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine (+)-S,S-ethambutol (+)-ethambutol (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol (S,S)-ethambutol EMB S,S-Ethambutol etambutol ethambutol ethambutolum CHEBI:4877 ethambutol Beilstein:6312870 Beilstein CAS:74-55-5 ChemIDplus CAS:74-55-5 KEGG COMPOUND Drug_Central:1073 DrugCentral PMID:10649975 ChEMBL PMID:10891117 ChEMBL PMID:10966749 ChEMBL PMID:12182855 ChEMBL PMID:14695841 ChEMBL PMID:14698152 ChEMBL PMID:15225698 ChEMBL PMID:16005211 ChEMBL PMID:16759086 ChEMBL PMID:16870429 ChEMBL PMID:17210775 ChEMBL PMID:17239593 ChEMBL PMID:17276683 ChEMBL PMID:17315960 ChEMBL PMID:17331717 ChEMBL PMID:17562368 ChEMBL PMID:17851083 ChEMBL PMID:17888665 ChEMBL PMID:19524332 ChEMBL PMID:19648006 ChEMBL PMID:3934384 ChEMBL Reaxys:6312870 Reaxys (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol IUPAC Ethambutol KEGG_COMPOUND (+)-2,2'-(ethylenediimino)di-1-butanol ChemIDplus (+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine ChemIDplus (+)-S,S-ethambutol ChemIDplus (+)-ethambutol ChEBI (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol ChEBI (S,S)-ethambutol ChEBI EMB ChEBI S,S-Ethambutol ChEMBL etambutol ChemIDplus ethambutol ChemIDplus ethambutolum ChemIDplus 0 CN 26.017 26.00307 C(#N)* CHEBI:36824 CHEBI:48818 PDBeChem:CYN cyanido cyano chebi_ontology -C#N -CN CYANIDE GROUP NC- carbonitrile group CHEBI:48819 cyano group cyanido IUPAC cyano IUPAC -C#N IUPAC -CN IUPAC CYANIDE GROUP PDBeChem NC- IUPAC carbonitrile group ChEBI 0 C21H38O8 InChI=1S/C21H38O8/c1-8-14-21(7,28)18(25)11(3)15(22)10(2)9-20(6,27)17(24)12(4)16(23)13(5)19(26)29-14/h10-14,16-18,23-25,27-28H,8-9H2,1-7H3/t10-,11+,12+,13-,14-,16+,17-,18-,20-,21-/m1/s1 YVTFLQUPRIIRFE-QUMKBVJLSA-N 418.52162 418.25667 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Beilstein:4570921 CAS:26754-37-0 (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione chebi_ontology Erythronolid A CHEBI:48848 erythronolide A Beilstein:4570921 Beilstein CAS:26754-37-0 ChemIDplus (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione IUPAC Erythronolid A ChEBI A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide. 0 C8H10N2S InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) AEOCXXJPGCBFJA-UHFFFAOYSA-N 166.24448 166.05647 CCc1cc(ccn1)C(N)=S Beilstein:116474 CAS:536-33-4 DrugBank:DB00609 Drug_Central:1083 HMDB:HMDB0014747 KEGG:C07665 KEGG:D00591 LINCS:LSM-5620 PMID:14651620 PMID:15673755 PMID:15850780 Patent:GB800250 Reaxys:116474 Wikipedia:Ethionamide 2-ethylpyridine-4-carbothioamide Ethionamide ethionamide chebi_ontology 2-ethyl-4-thiopyridylamide ETH ETP Ethinamide Ethioniamide Ethylisothiamide Ethyonomide Etionamid Etionamide Etioniamid Trecator ethionamidum etionamida CHEBI:4885 ethionamide Beilstein:116474 Beilstein CAS:536-33-4 ChemIDplus CAS:536-33-4 KEGG COMPOUND CAS:536-33-4 NIST Chemistry WebBook Drug_Central:1083 DrugCentral PMID:14651620 Europe PMC PMID:15673755 Europe PMC PMID:15850780 Europe PMC Reaxys:116474 Reaxys 2-ethylpyridine-4-carbothioamide IUPAC Ethionamide KEGG_COMPOUND ethionamide UniProt 2-ethyl-4-thiopyridylamide ChEBI ETH DrugBank