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

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ChEBI Name soyasapogenol E 3-O-β-glucuronide
ChEBI ID CHEBI:62445
ChEBI ASCII Name soyasapogenol E 3-O-beta-glucuronide
Definition A saponin that is the 3-O-β-glucuronide of soyasapogenol E.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H56O9
Net Charge 0
Average Mass 632.82440
Monoisotopic Mass 632.39243
InChI InChI=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
InChIKey CBJRVPYJFXDQDY-YHYIZMBSSA-N
SMILES [H][C@@]12CC(C)(C)CC(=O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucosiduronic acid (CHEBI:15341)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) is a triterpenoid saponin (CHEBI:61778)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) is conjugate acid of soyasapogenol E 3-O-β-glucuronate (CHEBI:62446)
Incoming 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 Sources
soyasapogenol E monoglucuronide ChEBI
soyasapogenol E-3-O-β-glucuronide ChEBI
soyasapogenol E-3-O-glucuronide ChEBI
Citation Waiting for Citations Type Source
12172845 PubMed citation Europe PMC
Last Modified
12 April 2013