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CHEBI:139185 - 1-O-(4-oxoretinoyl)-β-D-glucuronate

ChEBI IDCHEBI:139185
ChEBI Name1-O-(4-oxoretinoyl)-β-D-glucuronate
Stars
ASCII Name1-O-(4-oxoretinoyl)-beta-D-glucuronate
DefinitionA retinoid glucosiduronic acid anion that is the conjugate base of 1-O-(4-oxoretinoyl)-β-D-glucuronic acid arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified5 February 2018
Submitternhn
DownloadsMolfile
FormulaC26H33O9
Net Charge-1
Average Mass489.541
Monoisotopic Mass489.21301
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=O
InChIInChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/p-1/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1
InChIKeySIKFAVWPHMSCBL-QKLNHPSXSA-M
ChEBI Ontology
Outgoing Relation(s)
1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) is a retinoid glucosiduronic acid anion (CHEBI:139186)
1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) is conjugate base of 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107)
Incoming Relation(s)
1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is conjugate acid of 1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185)
IUPAC Names 
O15-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]-4-oxoretinoic acid
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-β-D-glucopyranuronate
Synonyms  Source
1-O-(4-oxoretinoyl)-β-D-glucuronide(1−)ChEBI
1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronide(1−)ChEBI
1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronateChEBI
UniProt Name  Source
all-trans-4-oxoretinoate 1-O-(β-D-glucuronate)UniProt
Citations