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cholest-5-en-3-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM733654

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	3

formula

C₂₇H₄₄O

charge

mass

384.33922

reference

chebi:63906

InChIKey

GGCLNOIGPMGLDB-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/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=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:63906 chebi:63906	cholest-5-en-3-one 5-cholesten-3-one Delta(5)-cholestenone cholestenone cholesterone oxidized cholesterol
lipidmaps:LMST01010248 lipidmapsM:LMST01010248	3-ketocholesterol Cholest-5-en-3-one Cholestenone (delta 5) O ST 27:2
sabiork.compound:28937 sabiorkM:28937	5-Cholesten-3-one 3-Oxocholesterol
metacyc.compound:CPD-13684 metacycM:CPD-13684 seed.compound:cpd23992 seedM:cpd23992 SLM:000000288 slm:000000288	cholest-5-en-3-one
seedM:M_cpd23992	secondary/obsolete/fantasy identifier