CHEBI:59611 - 5-hydroxydiclofenac quinone imine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-hydroxydiclofenac quinone imine
ChEBI ID CHEBI:59611
Definition A quinone imine that is a metabolite of diclofenac arising from 5-hydroxylation followed by oxidation.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H9Cl2NO3
Net Charge 0
Average Mass 310.13200
Monoisotopic Mass 308.99595
InChI InChI=1S/C14H9Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6H,7H2,(H,19,20)/b17-12+
InChIKey GTSUHSLLLCOPRM-SFQUDFHCSA-N
SMILES OC(=O)CC1=CC(=O)C=C\C\1=N/c1c(Cl)cccc1Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug metabolite

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-hydroxydiclofenac quinone imine (CHEBI:59611) has functional parent diclofenac (CHEBI:47381)
5-hydroxydiclofenac quinone imine (CHEBI:59611) has role drug metabolite (CHEBI:49103)
5-hydroxydiclofenac quinone imine (CHEBI:59611) is a dichlorobenzene (CHEBI:23697)
5-hydroxydiclofenac quinone imine (CHEBI:59611) is a monocarboxylic acid (CHEBI:25384)
5-hydroxydiclofenac quinone imine (CHEBI:59611) is a quinone imine (CHEBI:50193)
IUPAC Name
{(6E)-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dien-1-yl}acetic acid
Synonym Source
5-hydroxy diclofenac benzoquinone ChEBI
Registry Number Type Source
8851517 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17123753 PubMed citation Europe PMC
Last Modified
22 March 2017