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CHEBI:62446 - soyasapogenol E 3-O-β-glucuronate

ChEBI IDCHEBI:62446
ChEBI Namesoyasapogenol E 3-O-β-glucuronate
Stars
ASCII Namesoyasapogenol E 3-O-beta-glucuronate
DefinitionA monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol E 3-O-β-glucuronide.
Last Modified5 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H55O9
Net Charge-1
Average Mass631.827
Monoisotopic Mass631.38516
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC(=O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)/p-1/t20-,21+,22+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1
InChIKeyCBJRVPYJFXDQDY-YHYIZMBSSA-M
ChEBI Ontology
Outgoing Relation(s)
soyasapogenol E 3-O-β-glucuronate (CHEBI:62446) is a carbohydrate acid derivative anion (CHEBI:63551)
soyasapogenol E 3-O-β-glucuronate (CHEBI:62446) is a monocarboxylic acid anion (CHEBI:35757)
soyasapogenol E 3-O-β-glucuronate (CHEBI:62446) is conjugate base of soyasapogenol E 3-O-β-glucuronide (CHEBI:62445)
Incoming Relation(s)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) is conjugate acid of soyasapogenol E 3-O-β-glucuronate (CHEBI:62446)
IUPAC Name 
(3β)-24-hydroxy-22-oxoolean-12-en-3-yl β-D-glucopyranosiduronate
Synonym  Source
soyasapogenol E 3-O-β-glucuronide(1−)ChEBI
UniProt Name  Source
soyasapogenol E 3-O-β-D-glucuronateUniProt
Citations