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cholest-4-en-3-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM973

	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	7

formula

C₂₇H₄₄O

charge

mass

384.33922

reference

chebi:16175

InChIKey

NYOXRYYXRWJDKP-GYKMGIIDSA-N

InChI

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=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:16175 chebi:16175	cholest-4-en-3-one 4-Cholesten-3-one 4-cholesten-3-one Cholest-4-en-3-one Cholestenone
kegg.compound:C00599 keggC:C00599	Cholest-4-en-3-one 4-Cholesten-3-one Cholestenone
hmdb:HMDB0000921	Cholestenone (+)-4-Cholesten-3-one (17b)-17-Octylandrost-4-en-3-one (17beta)-17-Octylandrost-4-en-3-one (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one 3-Oxocholest-4-ene 4-Cholesten-3-one 4-Cholestenone Cholest-4-en-3-one Cholesterone D4-Cholesten-3-one D4-Cholestenone delta4-Cholesten-3-one delta4-Cholestenone
seed.compound:cpd00463 seedM:cpd00463	Cholestenone 4-Cholesten-3-one 4-cholesten-3-one 4-cholestene-3-one Cholest-4-en-3-one cholest-4-en-3-one cholestenone
lipidmaps:LMST01010015 lipidmapsM:LMST01010015	Cholestenone Cholestenone (delta 4) O ST 27:2 cholest-4-en-3-one
SLM:000000290 slm:000000290	cholest-4-en-3-one
metacyc.compound:CPD-323 metacycM:CPD-323	cholest-4-en-3-one 4-cholesten-3-one 4-cholestene-3-one cholestenone
hmdb:HMDB00921 chebi:13979 chebi:23171 chebi:3657 chebi:86563 keggC:M_C00599 seedM:M_cpd00463	secondary/obsolete/fantasy identifier