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CHEBI:84091 - 1-O-all-trans-4-hydroxyretinoyl-β-glucuronic acid

ChEBI IDCHEBI:84091
ChEBI Name1-O-all-trans-4-hydroxyretinoyl-β-glucuronic acid
Stars
ASCII Name1-O-all-trans-4-hydroxyretinoyl-beta-glucuronic acid
DefinitionA hydroxyretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-hydroxyretinoic acid with β-glucuronic acid.
Last Modified15 December 2014
Submitternamrata
DownloadsMolfile
FormulaC26H36O9
Net Charge0
Average Mass492.565
Monoisotopic Mass492.23593
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CC(O)C1
InChIInChI=1S/C26H36O9/c1-14(9-10-18-16(3)12-17(27)13-26(18,4)5)7-6-8-15(2)11-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-11,17,20-23,25,27,29-31H,12-13H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-11+/t17?,20-,21-,22+,23-,25+/m0/s1
InChIKeyFJTNODQGSYTFKC-GTQBYYIBSA-N
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
1-O-all-trans-4-hydroxyretinoyl-β-glucuronic acid (CHEBI:84091) is a hydroxyretinoic glucuronide (CHEBI:84090)
IUPAC Name 
O15-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxyretinoic acid
Citations