CHEBI:28870 - 1-O-all-trans-retinoyl-β-glucuronic acid

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ChEBI Name 1-O-all-trans-retinoyl-β-glucuronic acid ChEBI ID CHEBI:28870 ChEBI ASCII Name 1-O-all-trans-retinoyl-beta-glucuronic acid Definition A retinoid that is retinoic acid in which the carboxy proton has been replaced by a β-D-glucuronyl residue. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10196, CHEBI:22350 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 476.560 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-NEFMKCFNSA-N SMILES C1C(C(=C(CC1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)=O)(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: DOI 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): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) has functional parent all-trans-retinoic acid (CHEBI:15367) 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) has role human metabolite (CHEBI:77746) 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) is a glucuronic acids (CHEBI:33886) 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) is a retinoid (CHEBI:26537) 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) is conjugate acid of 1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181) Incoming 1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181) is conjugate base of 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) IUPAC Names 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-β-D-glucopyranuronic acid O15-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid Synonyms Sources all-trans-Retinoyl-beta-glucuronide KEGG COMPOUND Retinoyl glucuronide KEGG COMPOUND Manual Xref Database C11061 KEGG COMPOUND View more database links Registry Number Type Source 401-10-5 CAS Registry Number KEGG COMPOUND Citation Type Source 14690762 PubMed citation Europe PMC Last Modified 31 January 2018