CHEBI:82827 - oleanolic aldehyde

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ChEBI Name oleanolic aldehyde
ChEBI ID CHEBI:82827
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.70090
Monoisotopic Mass 440.36543
InChI InChI=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
InChIKey STHRNDDZYFUIDO-OSQDELBUSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C=O
Metabolite of Species Details
Phoradendron brachystachyum (NCBI:txid136762) See: PubMed
Vitis vinifera (NCBI:txid29760) Found in Thompson seedless raisins See: DOI
Agastache rugosa (NCBI:txid39271) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
(3β)-3-hydroxyolean-12-en-28-al IUPAC
oleanolic aldehyde UniProt
Manual Xrefs Databases
CPD-14498 MetaCyc
HMDB0034511 HMDB
View more database links
Registry Numbers Types Sources
17020-22-3 CAS Registry Number HMDB
6001367 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1823989 PubMed citation Europe PMC
19640974 PubMed citation Europe PMC
22039103 PubMed citation SUBMITTER
22360797 PubMed citation Europe PMC
25058466 PubMed citation Europe PMC
Last Modified
15 October 2014