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7-oxocholesterol

PropertiesImage
MNX_IDMNXM735295 Image of MNXM735295
referencechebi:64294
formulaC27H44O2
global charge0
mol weight400.647
InChIKeyYIKKMWSQVKJCOP-ABXCMAEBSA-N
InChIInChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 Image of MNXM735295
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C@H:25]3[C@H:23]([CH2:12][CH2:14][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:13][CH2:11][C@H:20]([OH:28])[CH2:15][C:19]1=[CH:16][C:24]3=[O:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2173786
reactomeM:R-ALL-2173786
reactome:R-ALL-2239426
reactomeM:R-ALL-2239426
CHEBI:64294
chebi:64294
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		7-oxocholesterol
(3-beta)-3-Hydroxycholest-5-en-7-one
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
3-beta-Hydroxycholest-5-en-7-one
3beta-hydroxycholest-5-en-7-one
7-ketocholesterol

SLM:000485714
slm:000485714
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		3beta-hydroxycholest-5-en-7-one

seed.compound:cpd24216
seedM:cpd24216
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		3beta-hydroxycholest-5-en-7-one
5-cholesten-3beta-ol-7-one
7-ketocholesterol
7-oxocholesterol
cholesterol, 7-oxo-

sabiork.compound:23027
sabiorkM:23027
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		7-Ketocholesterol
7-Oxocholesterol

metacyc.compound:CPD-14195
metacycM:CPD-14195
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		7-ketocholesterol
3beta-hydroxycholest-5-en-7-one
5-cholesten-3beta-ol-7-one
7-oxocholesterol
cholesterol, 7-oxo-

lipidmaps:LMST01010049
lipidmapsM:LMST01010049
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		7-oxo-cholesterol
7-kChol
7-keto-cholesterol
7-oxo-cholest-5-en-3beta-ol
O2
ST 27:2

lipidmaps:LMST01010005
lipidmapsM:LMST01010005
YIKKMWSQVKJCOP-ABXCMAEBSA-N 		7-oxocholesterol(d7)
7-oxo-cholest-5-en-3beta-ol(d7)

seedM:M_cpd24216 		secondary/obsolete/fantasy identifier