CHEBI:59611 - 5-hydroxydiclofenac quinone imine

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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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 Numbers Types Sources 8851517 Beilstein Registry Number Beilstein 8851517 Reaxys Registry Number Reaxys Citation Type Source 17123753 PubMed citation Europe PMC Last Modified 22 March 2017