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CHEBI:71577 - glycyrrhetaldehyde

ChEBI IDCHEBI:71577
ChEBI Nameglycyrrhetaldehyde
Stars
DefinitionA pentacyclic triterpenoid that is β-amyrin carrying two oxo substituents at positions 11 and 30.
Last Modified17 January 2013
SubmitterKAX
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C=O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H46O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,18,20,22-24,33H,8-15,17H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1
InChIKeyOTKNPGBTQXVJNH-DQOTWGJISA-N
ChEBI Ontology
Outgoing Relation(s)
glycyrrhetaldehyde (CHEBI:71577) has functional parent β-amyrin (CHEBI:10352)
glycyrrhetaldehyde (CHEBI:71577) is a cyclic terpene ketone (CHEBI:36130)
glycyrrhetaldehyde (CHEBI:71577) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
3β-hydroxy-11-oxoolean-12-en-30-al
Synonyms  Source
(3β)-3-hydroxy-11-oxoolean-12-en-30-alChEBI
11,30-dioxo-β-amyrinChEBI
UniProt Name  Source
glycyrrhetaldehydeUniProt
Manual XrefsDatabases
CPD-14485MetaCyc
Citations