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CHEBI:82827 - oleanolic aldehyde

ChEBI IDCHEBI:82827
ChEBI Nameoleanolic aldehyde
Stars
DefinitionA pentacyclic triterpenoid and hydroxyaldehyde that is erythrodiol in which the primary hydroxy group at position 28 has been oxidised to the corresponding aldehyde. It is found in grapes and olives.
Last Modified15 October 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C=O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKeySTHRNDDZYFUIDO-OSQDELBUSA-N
Species of MetaboliteComponentSourceComments
Phoradendron brachystachyum (ncbitaxon:136762) - PubMed (22360797)
Vitis vinifera (ncbitaxon:29760) - DOI (10.1016/j.phytol.2008.07.007) Found in Thompson seedless raisins
Agastache rugosa (ncbitaxon:39271) root (BTO:0001188) PubMed (1823989)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
oleanolic aldehyde (CHEBI:82827) has functional parent erythrodiol (CHEBI:67939)
oleanolic aldehyde (CHEBI:82827) has parent hydride oleanane (CHEBI:36481)
oleanolic aldehyde (CHEBI:82827) has role plant metabolite (CHEBI:76924)
oleanolic aldehyde (CHEBI:82827) is a hydroxyaldehyde (CHEBI:50413)
oleanolic aldehyde (CHEBI:82827) is a pentacyclic triterpenoid (CHEBI:25872)
oleanolic aldehyde (CHEBI:82827) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3β-hydroxyolean-12-en-28-al
Synonym  Source
(3β)-3-hydroxyolean-12-en-28-alIUPAC
UniProt Name  Source
oleanolic aldehydeUniProt
Manual XrefsDatabases
CPD-14498MetaCyc
HMDB0034511HMDB
Registry NumbersSources
Reaxys:6001367Reaxys
CAS:17020-22-3HMDB
Citations