CHEBI:62867 - soyasaponin III

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ChEBI Name soyasaponin III
ChEBI ID CHEBI:62867
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H68O14
Net Charge 0
Average Mass 796.98090
Monoisotopic Mass 796.46091
InChI InChI=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
InChIKey OKIHRVKXRCAJFQ-AHBDIROXSA-N
SMILES [H][C@@]12CC(C)(C)C[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@@H]4O[C@H](CO)[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 )
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 acid ChemIDplus
Manual Xref Database
CPD-13254 MetaCyc
View more database links
Registry Numbers Types Sources
55304-02-4 CAS Registry Number ChemIDplus
5721861 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10985074 PubMed citation Europe PMC
12706705 PubMed citation Europe PMC
12951488 PubMed citation Europe PMC
1367788 PubMed citation Europe PMC
14769534 PubMed citation Europe PMC
15113177 PubMed citation Europe PMC
16503561 PubMed citation Europe PMC
19338335 PubMed citation Europe PMC
20350545 PubMed citation Europe PMC
7685635 PubMed citation Europe PMC
9501471 PubMed citation Europe PMC
9581521 PubMed citation Europe PMC
Last Modified
12 April 2013