CHEBI:172945 - 9-cis-retinoyl-β-D-glucuronide

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ChEBI Name 9-cis-retinoyl-β-D-glucuronide ChEBI ID CHEBI:172945 ChEBI ASCII Name 9-cis-retinoyl-beta-D-glucuronide Definition A retinoid that is 9-cis-retinoic acid in which the carboxy proton has been replaced by a β-D-glucuronyl group. It is a major metabolite of 9-cis-retinoic acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter AnneNiknejad 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 C26H36O8 Net Charge 0 Average Mass 476.566 Monoisotopic Mass 476.24102 InChI InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8-,16-14+/t20-,21-,22+,23-,25+/m0/s1 InChIKey MTGFYEHKPMOVNE-RDMMYANXSA-N SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O 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): rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 9-cis-retinoyl-β-D-glucuronide (CHEBI:172945) has functional parent 9-cis-retinoic acid (CHEBI:50648) 9-cis-retinoyl-β-D-glucuronide (CHEBI:172945) has role mouse metabolite (CHEBI:75771) 9-cis-retinoyl-β-D-glucuronide (CHEBI:172945) has role rat metabolite (CHEBI:86264) 9-cis-retinoyl-β-D-glucuronide (CHEBI:172945) is a enone (CHEBI:51689) 9-cis-retinoyl-β-D-glucuronide (CHEBI:172945) is a glucuronic acids (CHEBI:33886) 9-cis-retinoyl-β-D-glucuronide (CHEBI:172945) is a retinoid (CHEBI:26537) IUPAC Name (9cis)-O15-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid Synonyms Sources (9cis)-O15-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]retinoic acid IUPAC (9Z)-retinoic acid β-D-glucopyranuronosyl ester ChEBI (9Z)-retinoyl-β-D-glucuronide ChEBI (9Z)-retinoyl-β-D-glucuronopyranoside ChEBI 1-O-(9-cis-retinoyl)-β-D-glucuronic acid ChEBI 9-cis-retinoyl-beta-D-glucuronide ChEBI Manual Xref Database 8132266 ChemSpider View more database links Registry Number Type Source 153321-67-6 CAS Registry Number ChEBI Citations Types Sources 10064560 PubMed citation Europe PMC 8295481 PubMed citation SUBMITTER 8891912 PubMed citation SUBMITTER Last Modified 24 January 2022