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CHEBI:62867 - soyasaponin III

ChEBI IDCHEBI:62867
ChEBI Namesoyasaponin III
Stars
DefinitionA triterpenoid saponin that is composed of soyasapogenol B having a β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid moiety attached at the 3-position via a glycosidic linkage.
Last Modified12 April 2013
SubmitterSteve
DownloadsMolfile
FormulaC42H68O14
Net Charge0
Average Mass796.992
Monoisotopic Mass796.46091
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)C[C@@H](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@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
InChIKeyOKIHRVKXRCAJFQ-AHBDIROXSA-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.
Applications:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
soyasaponin III (CHEBI:62867) has functional parent soyasapogenol B (CHEBI:9209)
soyasaponin III (CHEBI:62867) has role hepatoprotective agent (CHEBI:62868)
soyasaponin III (CHEBI:62867) has role prodrug (CHEBI:50266)
soyasaponin III (CHEBI:62867) is a pentacyclic triterpenoid (CHEBI:25872)
soyasaponin III (CHEBI:62867) is a triterpenoid saponin (CHEBI:61778)
soyasaponin III (CHEBI:62867) is conjugate acid of soyasaponin III(1−) (CHEBI:62911)
Incoming Relation(s)
soyasaponin III(1−) (CHEBI:62911) is conjugate base of soyasaponin III (CHEBI:62867)
IUPAC Name 
(3β,22β)-22,24-dihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid
Synonym  Source
(3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acidChemIDplus
Manual XrefsDatabases
CPD-13254MetaCyc
Registry NumbersSources
Reaxys:5721861Reaxys
CAS:55304-02-4ChemIDplus
Citations