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7alpha-hydroxycholest-4-en-3-one

PropertiesImage
MNX_IDMNXM730346 Image of MNXM730346
referencechebi:17899
formulaC27H44O2
global charge0
mol weight400.647
InChIKeyIOIZWEJGGCZDOL-RQDYSCIWSA-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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM730346
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:20](=[O:28])[CH:15]=[C:19]1[CH2:16][C@H:24]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 21
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-192136
reactomeM:R-ALL-192136
CHEBI:17899
chebi:17899
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-hydroxycholest-4-en-3-one
7alpha-Hydroxy-4-cholesten-3-one
7alpha-Hydroxycholest-4-en-3-one
Cholest-4-en-7alpha-ol-3-one
hmdb:HMDB0001993
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7a-Hydroxy-cholestene-3-one
(1S,2R,9R,10S,11S,14R,15R)-9-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
7 alpha-3Ox-C
7 alpha-Hydroxy-4-cholesten-3-one
7-Hydroxy-4-cholesten-3-one
7-Hydroxycholest-4-en-3-one
7-a-Hydroxy-4-cholesten-3-one
7-a-Hydroxycholest-4-en-3-one
7-alpha-Hydroxy-4-cholesten-3-one
7-alpha-Hydroxycholest-4-en-3-one
7a-Hydroxy-4-cholesten-3-one
7a-Hydroxy-4-cholesten-3-one-12alpha
7alpha-Hydroxy-4-cholesten-3-one
7alpha-Hydroxycholest-4-en-3-one
7alpha-hydroxy-4-cholesten-3-one
Cholest-4-en-7 alpha-ol-3-one
Cholest-4-en-7a-ol-3-one
Cholest-4-en-7alpha-ol-3-one
HCO

lipidmaps:LMST04030123
lipidmapsM:LMST04030123
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-Hydroxy-4-cholesten-3-one
7alpha-Hydroxycholest-4-en-3-one
O2
ST 27:2

bigg.metabolite:xol7aone
biggM:xol7aone
sabiork.compound:7927
sabiorkM:7927
kegg.compound:C05455
keggC:C05455
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-Hydroxycholest-4-en-3-one

seed.compound:cpd03238
seedM:cpd03238
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-Hydroxycholest-4-en-3-one
4-cholesten-7alpha-ol-3-one
7alpha-hydroxy-4-cholesten-3-one
7alpha-hydroxycholest-4-en-3-one

lipidmaps:LMST01010362
lipidmapsM:LMST01010362
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-hydroxy-4-cholesten-3-one-d7

SLM:000485649
slm:000485649
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-hydroxycholest-4-en-3-one

vmhM:xol7aone
vmhmetabolite:xol7aone
IOIZWEJGGCZDOL-PMSKBZDJSA-N 		7alpha-hydroxycholest-4-en-3-one
(1S,2R,9R,10S,11S,14R,15R)-9-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

metacyc.compound:CPD-1087
metacycM:CPD-1087
IOIZWEJGGCZDOL-RQDYSCIWSA-N 		7alpha-hydroxycholest-4-en-3-one
4-cholesten-7alpha-ol-3-one
7alpha-hydroxy-4-cholesten-3-one

hmdb:HMDB0001331
hmdb:HMDB01331
hmdb:HMDB01993
chebi:12262
chebi:20800
chebi:2292
chebi:58317
biggM:M_xol7aone
keggC:M_C05455
seedM:M_cpd03238
vmhM:M_xol7aone 		secondary/obsolete/fantasy identifier