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episterol

Properties

Image

Occurences in reactions

MNX_ID

MNXM52365

	#reac
in my sandbox	0
in MNXref (generic)	22
in models (compartimentalized)	1

formula

C₂₈H₄₆O

charge

mass

398.35487

reference

chebi:23929

InChIKey

BTCAEOLDEYPGGE-JVAZTMFWSA-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/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26+,27+,28-/m1/s1

SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[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:23929 chebi:23929	episterol (3beta,5alpha)-ergosta-7,24(28)-dien-3-ol 5alpha-ergosta-7,24(28)-dien-3beta-ol ergosta-7,24(28)-dien-3-ol
CHEBI:50586 chebi:50586	9xi-episterol 5alpha,9xi-ergosta-7,24(28)-dien-3beta-ol Episterol
bigg.metabolite:epist biggM:epist kegg.compound:C15777 keggC:C15777	Episterol
hmdb:HMDB0006847	Episterol (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol Episterol, (3beta)-isomer Ergosta-7,24(28)-dien-3-ol episterol
lipidmaps:LMST01030115 lipidmapsM:LMST01030115	Episterol 24-methylene-cholest-7-en-3beta-ol O ST 28:2
seed.compound:cpd14514 seedM:cpd14514	Episterol epist episterol
SLM:000000317 slm:000000317	episterol
metacyc.compound:EPISTEROL metacycM:EPISTEROL	episterol 5a,9xi-ergosta-7,24(28)-dien-3beta-ol 9xi-episterol
hmdb:HMDB06847 biggM:M_epist keggC:M_C15777 seedM:M_cpd14514	secondary/obsolete/fantasy identifier