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

Properties

Image

Occurences in reactions

MNX_ID

MNXM730346

	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	24

formula

C₂₇H₄₄O₂

charge

mass

400.33413

reference

chebi:17899

InChIKey

IOIZWEJGGCZDOL-RQDYSCIWSA-N

InChI

InChI=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

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-192136 reactomeM:R-ALL-192136 CHEBI:17899 chebi:17899	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	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	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	7alpha-Hydroxycholest-4-en-3-one
seed.compound:cpd03238 seedM:cpd03238	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	7alpha-hydroxy-4-cholesten-3-one-d7
SLM:000485649 slm:000485649	7alpha-hydroxycholest-4-en-3-one
metacyc.compound:CPD-1087 metacycM:CPD-1087	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	secondary/obsolete/fantasy identifier