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stigmasterol

Properties

Image

Occurences in reactions

MNX_ID

MNXM739074

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	1

formula

C₂₉H₄₈O

charge

mass

412.37052

reference

chebi:28824

InChIKey

HCXVJBMSMIARIN-PHZDYDNGSA-N

InChI

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

SMILES

CC[C@H](/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)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28824 chebi:28824	stigmasterol (22E)-stigmasta-5,22-dien-3beta-ol (3beta,22E)-stigmasta-5,22-dien-3-ol 5,22-Cholestadien-24-ethyl-3beta-ol Stigmasterol beta-stigmasterol phytosterol poriferasterol stigmasta-5,22-dien-3beta-ol
sabiork.compound:7914 sabiorkM:7914	Phytosterol Stigmasterol
kegg.compound:C05442 keggC:C05442	Stigmasterol
hmdb:HMDB0000937	Stigmasterol (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol (24S)-24-Ethylcholesta-5,22-dien-3beta-ol (24S)-5,22-Stigmastadien-3b-ol (24S)-5,22-Stigmastadien-3beta-ol (24S)-Stigmast-5,22-dien-3beta-ol (3b,22E)-Stigmasta-5,22-dien-3-ol (3beta,22E)-Stigmasta-5,22-dien-3-ol 17-(4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 24-Ethyl-5,22-cholestadien-3beta-ol 24beta-Ethyl-5,22-cholestadien-3beta-ol 5,22-Cholestadien-24-ethyl-3b-ol 5,22-Cholestadien-24-ethyl-3beta-ol Phytosterol Poriferasterol Stigmasta-5,22(E)-dien-3beta-ol Stigmasta-5,22-dien-3-b-ol Stigmasta-5,22-dien-3-beta-ol Stigmasta-5,22-dien-3b-ol Stigmasta-5,22-dien-3beta-ol Stigmasterin b-Stigmasterol beta-Stigmasterol delta5,22-Stigmastadien-3beta-ol delta5-Stigmasterol
lipidmaps:LMST01040123 lipidmapsM:LMST01040123	Stigmasterol O ST 29:2 stigmasta-5,22E-dien-3beta-ol
seed.compound:cpd03225 seedM:cpd03225	Stigmasterol stigmasterol
metacyc.compound:CPD-4162 metacycM:CPD-4162	stigmasterol
hmdb:HMDB00937 chebi:26774 chebi:8195 keggC:M_C05442 seedM:M_cpd03225	secondary/obsolete/fantasy identifier