Feedback

brassicasterol

Properties

Image

Occurences in reactions

MNX_ID

MNXM726601

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₂₈H₄₆O

charge

mass

398.35487

reference

chebi:3168

InChIKey

OILXMJHPFNGGTO-ZAUYPBDWSA-N

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3168 chebi:3168	brassicasterol (22E)-ergosta-5,22-dien-3beta-ol (22E,24R)-24-methylcholesta-5,22-dien-3beta-ol (3beta,22E)-ergosta-5,22-dien-3-ol 24(R)-methylcholesta-5,22E-dien-3beta-ol 24-methyl cholest-5,22-dien-3beta-ol brassicasterin ergosta-5,22(E)-dien-3beta-ol ergosta-5,22E-dien-3beta-ol
bigg.metabolite:brasstrl biggM:brasstrl sabiork.compound:10905 sabiorkM:10905 kegg.compound:C08813 keggC:C08813	Brassicasterol
lipidmaps:LMST01030098 lipidmapsM:LMST01030098	Brassicasterol O ST 28:2 ergosta-5,22E-dien-3beta-ol
seed.compound:cpd05718 seedM:cpd05718	Brassicasterol brassicasterol
metacyc.compound:CPD-4161 metacycM:CPD-4161	brassicasterol
biggM:M_brasstrl keggC:M_C08813 seedM:M_cpd05718	secondary/obsolete/fantasy identifier