CHEBI:10213 - α-amyrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-amyrin
ChEBI ID CHEBI:10213
ChEBI ASCII Name alpha-amyrin
Definition A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3β position is substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey FSLPMRQHCOLESF-SFMCKYFRSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
ChEBI Ontology
Outgoing α-amyrin (CHEBI:10213) has parent hydride ursane (CHEBI:35711)
α-amyrin (CHEBI:10213) is a pentacyclic triterpenoid (CHEBI:25872)
α-amyrin (CHEBI:10213) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3β)-urs-12-en-3-ol
Synonyms Sources
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol ChEBI
5α-urs-12-en-3β-ol ChEBI
α-amyrenol ChemIDplus
α-amyrin UniProt
alpha-Amyrin KEGG COMPOUND
α-amyrine ChemIDplus
urs-12-ene-3β-ol ChEBI
viminalol ChemIDplus
Manual Xrefs Databases
C00003737 KNApSAcK
C08615 KEGG COMPOUND
CPD-8250 MetaCyc
LMPR0106170001 LIPID MAPS
View more database links
Registry Numbers Types Sources
1916550 Reaxys Registry Number Reaxys
638-95-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10848960 PubMed citation Europe PMC
15626726 PubMed citation Europe PMC
15659316 PubMed citation Europe PMC
18129592 PubMed citation Europe PMC
19488928 PubMed citation Europe PMC
21575133 PubMed citation Europe PMC
Last Modified
28 July 2014