CHEBI:62442 - soyasapogenol A 3-O-β-glucuronide

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ChEBI Name soyasapogenol A 3-O-β-glucuronide
ChEBI ID CHEBI:62442
ChEBI ASCII Name soyasapogenol A 3-O-beta-glucuronide
Definition A triterpenoid saponin that is the 3-O-β-glucuronide of soyasapogenol A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H58O10
Net Charge 0
Average Mass 650.83970
Monoisotopic Mass 650.40300
InChI InChI=1S/C36H58O10/c1-31(2)16-19-18-8-9-21-33(4)12-11-22(45-30-25(40)23(38)24(39)26(46-30)29(43)44)34(5,17-37)20(33)10-13-36(21,7)35(18,6)15-14-32(19,3)28(42)27(31)41/h8,19-28,30,37-42H,9-17H2,1-7H3,(H,43,44)/t19-,20+,21+,22-,23-,24-,25+,26-,27-,28+,30+,32+,33-,34+,35+,36+/m0/s1
InChIKey CZJIMKNMPZTDKL-KYCUXGCASA-N
SMILES [H][C@@]12CC(C)(C)[C@@H](O)[C@@H](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 A 3-O-β-glucuronide (CHEBI:62442) has functional parent soyasapogenol A (CHEBI:62440)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) is a β-D-glucosiduronic acid (CHEBI:15341)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) is a triterpenoid saponin (CHEBI:61778)
soyasapogenol A 3-O-β-glucuronide (CHEBI:62442) is conjugate acid of soyasapogenol A 3-O-β-glucuronate (CHEBI:62443)
Incoming soyasapogenol A 3-O-β-glucuronate (CHEBI:62443) is conjugate base of soyasapogenol A 3-O-β-glucuronide (CHEBI:62442)
IUPAC Name
(3β,21β,22β)-21,22,24-trihydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid
Synonyms Sources
soyasapogenol A monoglucuronide ChEBI
soyasapogenol A-3-O-β-glucuronide ChEBI
soyasapogenol A-3-O-glucuronide ChEBI
Citation Waiting for Citations Type Source
12172845 PubMed citation Europe PMC
Last Modified
12 April 2013