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alpha-amyrin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4443

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₃₀H₅₀O

charge

mass

426.729

reference

chebi:10213

InChIKey

FSLPMRQHCOLESF-SFMCKYFRSA-N

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

SMILES

[CH3:1][C@@H:19]1[CH2:11][CH2:14][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C:21](=[CH:9][CH2:10][C@@H:23]4[C@@:28]5([CH3:6])[CH2:15][CH2:13][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:12][CH2:16][C@:30]43[CH3:8])[C@@H:25]2[C@H:20]1[CH3:2]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10213 chebi:10213	alpha-amyrin (3beta)-urs-12-en-3-ol 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 5alpha-urs-12-en-3beta-ol alpha-Amyrin alpha-amyrenol alpha-amyrine urs-12-ene-3beta-ol viminalol
kegg.compound:C08615 keggC:C08615 lipidmaps:LMPR0106170001 lipidmapsM:LMPR0106170001	alpha-Amyrin
seed.compound:cpd05522 seedM:cpd05522	alpha-Amyrin (3beta)-urs-12-en-3-ol 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 5alpha-urs-12-en-3beta-ol alpha-Amyrenol alpha-amyrenol alpha-amyrin alpha-amyrine viminalol
hmdb:HMDB0248188	alpha-Amyrin 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 Epi-a-amyrin Epi-alpha-amyrin a-Amyrin alpha-amyrin
metacyc.compound:CPD-8250 metacycM:CPD-8250	alpha-amyrin (3beta)-urs-12-en-3-ol 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 5alpha-urs-12-en-3beta-ol alpha-amyrenol alpha-amyrine viminalol
keggC:M_C08615 seedM:M_cpd05522	secondary/obsolete/fantasy identifier