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CHEBI:139181 - 1-O-(all-trans-retinoyl)-β-D-glucuronate

ChEBI IDCHEBI:139181
ChEBI Name1-O-(all-trans-retinoyl)-β-D-glucuronate
Stars
ASCII Name1-O-(all-trans-retinoyl)-beta-D-glucuronate
DefinitionA retinoid glucuronide anion that is the conjugate base of 1-O-all-trans-retinoyl-β-D-glucuronide arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified22 June 2018
Submitternhn
DownloadsMolfile
FormulaC26H35O8
Net Charge-1
Average Mass475.558
Monoisotopic Mass475.23374
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)CCC1
InChIInChI=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)/p-1/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1
InChIKeyMTGFYEHKPMOVNE-NEFMKCFNSA-M
ChEBI Ontology
Outgoing Relation(s)
1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181) is a retinoid glucosiduronic acid anion (CHEBI:139186)
1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181) is conjugate base of 1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870)
Incoming Relation(s)
1-O-all-trans-retinoyl-β-glucuronic acid (CHEBI:28870) is conjugate acid of 1-O-(all-trans-retinoyl)-β-D-glucuronate (CHEBI:139181)
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-glucopyranuronate
O15-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid
Synonyms  Source
1-O-(all-trans-retinoyl)-β-D-glucuronide(1−)ChEBI
all-trans-retinoyl-β-glucuronide(1−)SUBMITTER
UniProt Name  Source
all-trans-retinoyl-1-O-(β-D-glucuronate)UniProt
Citations