CHEBI:133420 - soyasaponin A3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name soyasaponin A3
ChEBI ID CHEBI:133420
ChEBI ASCII Name soyasaponin A3
Definition A triterpenoid saponin that is composed of soyasapogenol A having an α-L-rhamnopyranosyl-(1→2)-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 C48H78O19
Net Charge 0
Average Mass 959.123
Monoisotopic Mass 958.51373
InChI InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)66-35-30(54)28(52)23(18-49)63-41(35)67-36-32(56)31(55)34(39(60)61)65-42(36)64-26-12-13-45(5)24(46(26,6)19-50)11-14-48(8)25(45)10-9-21-22-17-43(2,3)37(58)38(59)44(22,4)15-16-47(21,48)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey NQGDGFITHGCDAO-ULCPARNTSA-N
SMILES O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C)CO)C(O)=O)[C@@H]4[C@]([C@]5([C@](CC4)([C@@]6([C@@](CC5)([C@]7(C(=CC6)[C@]8([C@@](CC7)([C@@H]([C@@H](C(C8)(C)C)O)O)C)[H])C)C)[H])C)[H])(C)CO
Metabolite of Species Details
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: PubMed
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study
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 soyasaponin A3 (CHEBI:133420) has functional parent soyasapogenol A (CHEBI:62440)
soyasaponin A3 (CHEBI:133420) is a carbohydrate acid derivative (CHEBI:63436)
soyasaponin A3 (CHEBI:133420) is a pentacyclic triterpenoid (CHEBI:25872)
soyasaponin A3 (CHEBI:133420) is a trisaccharide derivative (CHEBI:63571)
soyasaponin A3 (CHEBI:133420) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,21β,22β)-21,22,24-trihydroxyolean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
Manual Xref Database
HMDB0038608 HMDB
View more database links
Registry Numbers Types Sources
114077-04-2 CAS Registry Number ChemIDplus
5473464 Reaxys Registry Number Reaxys
Last Modified
28 February 2017