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CHEBI:62444 - soyasapogenol E

ChEBI IDCHEBI:62444
ChEBI Namesoyasapogenol E
Stars
DefinitionA pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13, and is substituted by hydroxy groups at the 3β and 24-positions, and by an oxo group at position 22.
Last Modified28 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC(=O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@]1(C)CO
InChIInChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
InChIKeyFNRBOAGVUNHDIL-LMZUXBMISA-N
ChEBI Ontology
Outgoing Relation(s)
soyasapogenol E (CHEBI:62444) has parent hydride oleanane (CHEBI:36481)
soyasapogenol E (CHEBI:62444) is a cyclic ketone (CHEBI:3992)
soyasapogenol E (CHEBI:62444) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
soyasapogenol E 3-O-β-glucuronide (CHEBI:62445) has functional parent soyasapogenol E (CHEBI:62444)
IUPAC Name 
(3β)-3,24-dihydroxyolean-12-en-22-one
Synonym  Source
soyasapogenol-EChEBI
UniProt Name  Source
soyasapogenol EUniProt
Manual XrefsDatabases
CPD-9482MetaCyc
C17420KEGG COMPOUND
Registry NumbersSources
Reaxys:5774990Reaxys
CAS:6750-59-0ChemIDplus
CAS:6750-59-0KEGG COMPOUND
Citations