EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84092 - 4-(β-D-glucopyranuronosyloxy)retinoic acid

ChEBI IDCHEBI:84092
ChEBI Name4-(β-D-glucopyranuronosyloxy)retinoic acid
Stars
ASCII Name4-(beta-D-glucopyranuronosyloxy)retinoic acid
DefinitionA hydroxyretinoic glucuronide that is all-trans-4-hydroxyretinoic acid attached to a β-D-glucuronic acid residue via a glycosidic linkage.
Last Modified31 January 2018
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(C)(C)CCC1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H36O9/c1-14(7-6-8-15(2)13-19(27)28)9-10-17-16(3)18(11-12-26(17,4)5)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,18,20-23,25,29-31H,11-12H2,1-5H3,(H,27,28)(H,32,33)/b8-6+,10-9+,14-7+,15-13+/t18?,20-,21-,22+,23-,25+/m0/s1
InChIKeyLVCMXFSJTNPFHH-YUJSZCEWSA-N
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
4-(β-D-glucopyranuronosyloxy)retinoic acid (CHEBI:84092) has functional parent all-trans-4-hydroxyretinoic acid (CHEBI:63795)
4-(β-D-glucopyranuronosyloxy)retinoic acid (CHEBI:84092) is a hydroxyretinoic glucuronide (CHEBI:84090)
4-(β-D-glucopyranuronosyloxy)retinoic acid (CHEBI:84092) is a β-D-glucosiduronic acid (CHEBI:15341)
4-(β-D-glucopyranuronosyloxy)retinoic acid (CHEBI:84092) is conjugate acid of 4-(β-D-glucopyranuronosyloxy)retinoate(2−) (CHEBI:139182)
Incoming Relation(s)
4-(β-D-glucopyranuronosyloxy)retinoate(2−) (CHEBI:139182) is conjugate base of 4-(β-D-glucopyranuronosyloxy)retinoic acid (CHEBI:84092)
IUPAC Name 
4-(β-D-glucopyranuronosyloxy)retinoic acid
Synonyms  Source
4-(O-β-D-glucuronosyl)oxy-all-trans-retinoic acidChEBI
all-trans-4-hydroxyretinoic acid 4-O-(β-D-glucuronide)ChEBI
Citations