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CHEBI:133420 - soyasaponin A3

ChEBI IDCHEBI:133420
ChEBI Namesoyasaponin A3
Stars
ASCII Namesoyasaponin A3
DefinitionA 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.
Last Modified28 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC48H78O19
Net Charge0
Average Mass959.133
Monoisotopic Mass958.51373
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)[C@@H](O)[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@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=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
InChIKeyNQGDGFITHGCDAO-ULCPARNTSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847)
seed (BTO:0001226) MetaboLights (MTBLS118)
seed (BTO:0001226) PubMed (25369450)
seed (BTO:0001226) MetaboLights (MTBLS117)
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.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0038608HMDB
Registry NumbersSources
Reaxys:5473464Reaxys
CAS:114077-04-2ChemIDplus