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5-dehydroepisterol

Properties

Image

Occurences in reactions

MNX_ID

MNXM5738

	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	3

formula

C₂₈H₄₄O

charge

mass

396.33922

reference

chebi:52972

InChIKey

ZEPNVCGPJXYABB-LOIOQLKMSA-N

InChI

InChI=1S/C28H44O/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/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1

SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=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:52972 chebi:52972	5-dehydroepisterol ergosta-5,7,24(28)-trien-3beta-ol
CHEBI:80095 chebi:80095	5,7,24(28)-Ergostatrienol
hmdb:HMDB0060404	5,7,24(28)-Ergostatrienol (2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol Ergosta-5,7,24(28)-trien-3b-ol Ergosta-5,7,24(28)-trien-3beta-ol
seed.compound:cpd14515 seedM:cpd14515	5,7,24(28)-Ergostatrienol 5,7,24(28)-ergostatrienol ergosta-5,7,24(28)-trienol ergtrol
kegg.compound:C15778 keggC:C15778	5,7,24(28)-Ergostatrienol Ergosta-5,7,24(28)-trien-3beta-ol
kegg.compound:C15780 keggC:C15780	5-Dehydroepisterol
hmdb:HMDB0006848	5-Dehydroepisterol (1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol (3beta)-Ergosta-5,7,24(28)-trien-3-ol Campesta-7,24(28)-dien-3beta-ol Ergosta-5,7,24(28)-trien-3beta-ol
seed.compound:cpd14516 seedM:cpd14516	5-Dehydroepisterol 5-dehydro episterol ergosta-5,7,24(28)-trien-3beta-ol
lipidmaps:LMST01030135 lipidmapsM:LMST01030135	5-dehydroepisterol 24-methylene-cholesta-5,7-dien-3beta-ol O ST 28:3
SLM:000000318 slm:000000318	ergosta-5,7,24(28)-trien-3beta-ol
metacyc.compound:CPD-700 metacycM:CPD-700	ergosta-5,7,24(28)-trien-3beta-ol 5,7,24(28)-ergostatrienol 5-dehydro episterol
hmdb:HMDB06848 hmdb:HMDB60404 keggC:M_C15778 keggC:M_C15780 seedM:M_cpd14515 seedM:M_cpd14516	secondary/obsolete/fantasy identifier