CHEBI:10352 - β-amyrin

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ChEBI Name β-amyrin
ChEBI ID CHEBI:10352
ChEBI ASCII Name beta-amyrin
Definition A pentacyclic triterpenoid that is oleanane substituted at the 3β-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.386
InChI InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
InChIKey JFSHUTJDVKUMTJ-QHPUVITPSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
Metabolite of Species Details
Aspergillus nidulans (NCBI:162425) Frow wild-type cultures See: PubMed
Erythrina caffra (NCBI:3842) Found in bark (BTO:0001301). From stem bark See: PubMed
Alstonia boonei (NCBI:84857) Found in bark (BTO:0001301). From stem bark 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.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-amyrin (CHEBI:10352) has parent hydride oleanane (CHEBI:36481)
β-amyrin (CHEBI:10352) has role Aspergillus metabolite (CHEBI:76956)
β-amyrin (CHEBI:10352) has role plant metabolite (CHEBI:76924)
β-amyrin (CHEBI:10352) is a pentacyclic triterpenoid (CHEBI:25872)
β-amyrin (CHEBI:10352) is a secondary alcohol (CHEBI:35681)
Incoming 11α-hydroxy-β-amyrin (CHEBI:63177) has functional parent β-amyrin (CHEBI:10352)
11-oxo-β-amyrin (CHEBI:63184) has functional parent β-amyrin (CHEBI:10352)
24-hydroxy-β-amyrin (CHEBI:62459) has functional parent β-amyrin (CHEBI:10352)
30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) has functional parent β-amyrin (CHEBI:10352)
erythrodiol (CHEBI:67939) has functional parent β-amyrin (CHEBI:10352)
glycyrrhetaldehyde (CHEBI:71577) has functional parent β-amyrin (CHEBI:10352)
IUPAC Name
olean-12-en-3β-ol
Synonyms Sources
(3β)-olean-12-en-3-ol IUPAC
3β-hydroxyolean-12-ene ChEBI
amyrin ChemIDplus
beta-Amyrenol KEGG COMPOUND
beta-Amyrin KEGG COMPOUND
β-amyrin UniProt
Database Links Databases
C00003738 KNApSAcK
C08616 KEGG COMPOUND
CPD-6948 MetaCyc
LMPR0106150015 LIPID MAPS
View more database links
Registry Numbers Types Sources
2063468 Reaxys Registry Number Reaxys
559-70-6 CAS Registry Number KEGG COMPOUND
559-70-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16478469 PubMed citation Europe PMC
17803686 PubMed citation Europe PMC
21046981 PubMed citation Europe PMC
24079177 PubMed citation Europe PMC
24960408 PubMed citation Europe PMC
25026352 PubMed citation Europe PMC
25115087 PubMed citation Europe PMC
5639923 PubMed citation Europe PMC
6875511 PubMed citation Europe PMC
Last Modified
15 October 2014