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7alpha,12alpha-dihydroxycholest-4-en-3-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM741570

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	11

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:28477

InChIKey

UQPYXHJTHPHOMM-NIBOIBLTSA-N

InChI

InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,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](C[C@H](O)[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-192195 reactomeM:R-ALL-192195 CHEBI:28477 chebi:28477	7alpha,12alpha-dihydroxycholest-4-en-3-one 4-cholesten-7alpha,12alpha-diol-3-one 7alpha,12alpha-Dihydroxy-4-cholesten-3-one 7alpha,12alpha-Dihydroxycholest-4-en-3-one
kegg.compound:C17339 keggC:C17339	4-Cholesten-7alpha,12alpha-diol-3-one 7alpha,12alpha-Dihydroxy-4-cholesten-3-one
bigg.metabolite:xoldiolone biggM:xoldiolone sabiork.compound:7928 sabiorkM:7928	7alpha,12alpha-Dihydroxycholest-4-en-3-one
seed.compound:cpd03239 seedM:cpd03239	7alpha,12alpha-Dihydroxycholest-4-en-3-one 4-Cholesten-7alpha,12alpha-diol-3-one 4-cholesten-7alpha,12alpha-diol-3-one 7alpha,12alpha-Dihydroxy-4-cholesten-3-one 7alpha,12alpha-dihydroxy-4-cholesten-3-one 7alpha,12alpha-dihydroxycholest-4-en-3-one
lipidmaps:LMST04030114 lipidmapsM:LMST04030114	7alpha,12alpha-Dihydroxycholest-4-en-3-one O3 ST 27:2
SLM:000485650 slm:000485650	7alpha,12alpha-dihydroxycholest-4-en-3-one
metacyc.compound:CPD-7237 metacycM:CPD-7237	7alpha,12alpha-dihydroxycholest-4-en-3-one 4-cholesten-7alpha,12alpha-diol-3-one 7alpha,12alpha-dihydroxy-4-cholesten-3-one
chebi:20797 chebi:2289 biggM:M_xoldiolone keggC:M_C17339 seedM:M_cpd03239	secondary/obsolete/fantasy identifier