CHEBI:59610 - 4'-hydroxydiclofenac quinone imine

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ChEBI Name 4'-hydroxydiclofenac quinone imine
ChEBI ID CHEBI:59610
Definition A quinone imine that is a metabolite of diclofenac arising from 4'-hydroxylation followed by oxidation.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H9Cl2NO3
Net Charge 0
Average Mass 310.13200
Monoisotopic Mass 308.99595
InChI InChI=1S/C14H9Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7H,5H2,(H,19,20)
InChIKey SKLQQURDEJYWEY-UHFFFAOYSA-N
SMILES OC(=O)Cc1ccccc1N=C1C(Cl)=CC(=O)C=C1Cl
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4'-hydroxydiclofenac quinone imine (CHEBI:59610) has functional parent diclofenac (CHEBI:47381)
4'-hydroxydiclofenac quinone imine (CHEBI:59610) has role metabolite (CHEBI:25212)
4'-hydroxydiclofenac quinone imine (CHEBI:59610) is a organochlorine compound (CHEBI:36683)
4'-hydroxydiclofenac quinone imine (CHEBI:59610) is a quinone imine (CHEBI:50193)
IUPAC Name
{2-[(2,6-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}acetic acid
Synonym Source
4'-hydroxy diclofenac benzoquinone ChEBI
Registry Numbers Types Sources
10683401 Reaxys Registry Number Reaxys
10683401 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17123753 PubMed citation Europe PMC
24552538 PubMed citation Europe PMC
Last Modified
22 March 2017