CHEBI:59609 - diclofenac β-D-glucosiduronic acid

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ChEBI Name diclofenac β-D-glucosiduronic acid ChEBI ID CHEBI:59609 ChEBI ASCII Name diclofenac beta-D-glucosiduronic acid Definition A β-D-glucosiduronic acid (β-D-glucuronide) that is a metabolite of diclofenac. 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 C20H19Cl2NO8 Net Charge 0 Average Mass 472.27300 Monoisotopic Mass 471.04877 InChI InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1 InChIKey JXIKYYSIYCILNG-HBWRTXEVSA-N SMILES O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing diclofenac β-D-glucosiduronic acid (CHEBI:59609) has functional parent diclofenac (CHEBI:47381) diclofenac β-D-glucosiduronic acid (CHEBI:59609) has role drug metabolite (CHEBI:49103) diclofenac β-D-glucosiduronic acid (CHEBI:59609) is a β-D-glucosiduronic acid (CHEBI:15341) diclofenac β-D-glucosiduronic acid (CHEBI:59609) is a dichlorobenzene (CHEBI:23697) diclofenac β-D-glucosiduronic acid (CHEBI:59609) is a monocarboxylic acid (CHEBI:25384) diclofenac β-D-glucosiduronic acid (CHEBI:59609) is a secondary amino compound (CHEBI:50995) IUPAC Name 1-O-({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)-β-D-glucopyranuronic acid Synonyms Sources diclofenac acyl glucuronide ChEBI diclofenac glucuronide ChEBI diclofenac O-glucuronide ChEBI Registry Numbers Types Sources 8521474 Reaxys Registry Number Reaxys 8521474 Beilstein Registry Number Beilstein Citations Types Sources 14570764 PubMed citation Europe PMC 15139759 PubMed citation Europe PMC 17123753 PubMed citation Europe PMC 26869668 PubMed citation Europe PMC 9834275 PubMed citation Europe PMC Last Modified 22 March 2017