CHEBI:67939 - erythrodiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name erythrodiol
ChEBI ID CHEBI:67939
Definition A pentacyclic triterpenoid that is β-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C30H50O2
Net Charge 0
Average Mass 442.71680
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/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/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey PSZDOEIIIJFCFE-OSQDELBUSA-N
SMILES CC1(C)CC[C@]2(CO)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
Metabolite of Species Details
Olea europaea (NCBI:txid4146) Found in fruit (BTO:0000486). See: PubMed
Rhododendron (NCBI:txid4346) See: PubMed
Rhododendron ferrugineum (NCBI:txid49622) Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,uvaol & erythrodiol mixture 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 erythrodiol (CHEBI:67939) has functional parent β-amyrin (CHEBI:10352)
erythrodiol (CHEBI:67939) has role plant metabolite (CHEBI:76924)
erythrodiol (CHEBI:67939) is a diol (CHEBI:23824)
erythrodiol (CHEBI:67939) is a pentacyclic triterpenoid (CHEBI:25872)
erythrodiol (CHEBI:67939) is a primary alcohol (CHEBI:15734)
erythrodiol (CHEBI:67939) is a secondary alcohol (CHEBI:35681)
Incoming oleanolic aldehyde (CHEBI:82827) has functional parent erythrodiol (CHEBI:67939)
IUPAC Name
olean-12-ene-3β,28-diol
Synonyms Sources
(3β)-olean-12-ene-3,28-diol ChemIDplus
3β,28-dihydroxy-ole-12-ene ChEBI
3β-erythrodiol MetaCyc
erythrodiol UniProt
oleanolic alcohol ChEBI
Manual Xrefs Databases
C00019065 KNApSAcK
CPD-14499 MetaCyc
HMDB0002360 HMDB
View more database links
Registry Numbers Types Sources
2340203 Reaxys Registry Number Reaxys
545-48-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15522132 PubMed citation Europe PMC
18384095 PubMed citation Europe PMC
21443171 PubMed citation Europe PMC
23587059 PubMed citation Europe PMC
IND21806547 Agricola citation Europe PMC
IND43745334 Agricola citation Europe PMC
Last Modified
15 October 2014