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CHEBI:139184 - 1-O-(5,6-epoxyretinoyl)-β-D-glucuronate

ChEBI IDCHEBI:139184
ChEBI Name1-O-(5,6-epoxyretinoyl)-β-D-glucuronate
Stars
ASCII Name1-O-(5,6-epoxyretinoyl)-beta-D-glucuronate
DefinitionA retinoid glucuronide anion that is the conjugate base of 1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified7 June 2018
Submitternhn
DownloadsMolfile
FormulaC26H35O9
Net Charge-1
Average Mass491.557
Monoisotopic Mass491.22866
SMILESCC(/C=C/C12OC1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/p-1/b9-6+,13-10+,15-8+,16-14+/t18-,19-,20+,21-,23+,25?,26?/m0/s1
InChIKeyBZPOQLONXBJGAZ-WSPRJJCZSA-M
ChEBI Ontology
Outgoing Relation(s)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronate (CHEBI:139184) is a retinoid glucosiduronic acid anion (CHEBI:139186)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronate (CHEBI:139184) is conjugate base of 1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558)
Incoming Relation(s)
1-O-(5,6-epoxyretinoyl)-β-D-glucuronic acid (CHEBI:139558) is conjugate acid of 1-O-(5,6-epoxyretinoyl)-β-D-glucuronate (CHEBI:139184)
IUPAC Name 
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoyl]-β-D-glucopyranuronate
Synonyms  Source
1-O-(all-trans-5,6-epoxyretinoyl)-β-D-glucuronide(1−)ChEBI
1-O-(5,6-epoxyretinoyl)-β-D-glucuronide(1−)ChEBI
1-O-(all-trans-5,6-epoxyretinoyl)-β-D-glucuronateChEBI
UniProt Name  Source
all-trans-5,6-epoxyretinoyl-1-O-(β-D-glucuronate)UniProt
Citations