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CHEBI:62445 - soyasapogenol E 3-O-β-glucuronide

ChEBI IDCHEBI:62445
ChEBI Namesoyasapogenol E 3-O-β-glucuronide
Stars
ASCII Namesoyasapogenol E 3-O-beta-glucuronide
DefinitionA saponin that is the 3-O-β-glucuronide of soyasapogenol E.
Last Modified12 April 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H56O9
Net Charge0
Average Mass632.835
Monoisotopic Mass632.39243
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)/t20-,21+,22+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1
InChIKeyCBJRVPYJFXDQDY-YHYIZMBSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) has functional parent soyasapogenol E (CHEBI:62444)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) is a triterpenoid saponin (CHEBI:61778)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) is a β-D-glucosiduronic acid (CHEBI:15341)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) is conjugate acid of soyasapogenol E 3-O-β-glucuronate (CHEBI:62446)
Incoming Relation(s)
soyasapogenol E 3-O-β-glucuronate (CHEBI:62446) is conjugate base of soyasapogenol E 3-O-β-glucuronide (CHEBI:62445)
IUPAC Name 
(3β)-24-hydroxy-22-oxoolean-12-en-3-yl gluco-D-glucopyranosiduronic acid
Synonyms  Source
soyasapogenol E monoglucuronideChEBI
soyasapogenol E-3-O-β-glucuronideChEBI
soyasapogenol E-3-O-glucuronideChEBI
Citations