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CHEBI:10352 - β-amyrin

Default Structure
ChEBI IDCHEBI:10352
ChEBI Nameβ-amyrin
Stars
ASCII Namebeta-amyrin
DefinitionA 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.
Last Modified15 October 2014
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)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/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
InChIKeyJFSHUTJDVKUMTJ-QHPUVITPSA-N
Species of MetaboliteComponentSourceComments
Alstonia boonei (ncbitaxon:84857) bark (BTO:0001301) PubMed (25026352) From stem bark
Aspergillus nidulans (ncbitaxon:162425) - PubMed (6875511) Frow wild-type cultures
Erythrina caffra (ncbitaxon:3842) bark (BTO:0001301) PubMed (25115087) From stem bark
Roles Classification
Biological Roles:
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 .
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
11-oxo-β-amyrin (CHEBI:63184) has functional parent β-amyrin (CHEBI:10352)
11α-hydroxy-β-amyrin (CHEBI:63177) has functional parent β-amyrin (CHEBI:10352)
16α-hydroxy-β-amyrin (CHEBI:140655) 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  Source
3β-hydroxyolean-12-eneChEBI
(3β)-olean-12-en-3-olIUPAC
amyrinChemIDplus
beta-AmyrenolKEGG COMPOUND
beta-AmyrinKEGG COMPOUND
UniProt Name  Source
β-amyrinUniProt
Manual XrefsDatabases
C00003738KNApSAcK
C08616KEGG COMPOUND
CPD-6948MetaCyc
LMPR0106150015LIPID MAPS
Registry NumbersSources
Reaxys:2063468Reaxys
CAS:559-70-6ChemIDplus
CAS:559-70-6KEGG COMPOUND
Citations