CHEBI:62444 - soyasapogenol E

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ChEBI Name soyasapogenol E ChEBI ID CHEBI:62444 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H48O3 Net Charge 0 Average Mass 456.70030 Monoisotopic Mass 456.36035 InChI InChI=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 InChIKey FNRBOAGVUNHDIL-LMZUXBMISA-N SMILES [H][C@@]12CC(C)(C)CC(=O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C ChEBI Ontology Outgoing 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 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 Synonyms Sources soyasapogenol E UniProt soyasapogenol-E ChEBI Manual Xrefs Databases C17420 KEGG COMPOUND CPD-9482 MetaCyc View more database links Registry Numbers Types Sources 5774990 Reaxys Registry Number Reaxys 6750-59-0 CAS Registry Number ChemIDplus Citations Types Sources 10919372 PubMed citation Europe PMC 12172845 PubMed citation Europe PMC Last Modified 28 July 2014