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7alpha,12alpha-dihydroxy-5beta-cholestan-3-one

MNXM1180 is deprecated and here replaced by MNXM727178
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727178

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

formula

C₂₇H₄₆O₃

charge

mass

418.3447

reference

chebi:2288

InChIKey

HHVQPBXBALLUDF-QORHGLQKSA-N

InChI

InChI=1S/C27H46O3/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/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,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[C@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-192064 reactomeM:R-ALL-192064 CHEBI:2288 chebi:2288	7alpha,12alpha-dihydroxy-5beta-cholestan-3-one 5beta-Cholesten-7alpha,12alpha-diol-3-one 5beta-cholestane-7alpha,12alpha-diol-3-one 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
bigg.metabolite:xoldioloneh biggM:xoldioloneh sabiork.compound:7925 sabiorkM:7925	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
kegg.compound:C05453 keggC:C05453	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one 5beta-Cholesten-7alpha,12alpha-diol-3-one
seed.compound:cpd03236 seedM:cpd03236	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one 5beta-Cholesten-7alpha,12alpha-diol-3-one 5beta-cholestan-7alpha,12alpha-diol-3-one 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one
lipidmaps:LMST04030113 lipidmapsM:LMST04030113	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one O3 ST 27:1
SLM:000485675 slm:000485675	7alpha,12alpha-dihydroxy-5beta-cholestan-3-one
metacyc.compound:CPD-10503 metacycM:CPD-10503	7alpha,12alpha-dihydroxy-5beta-cholestan-3-one 5beta-cholestan-7alpha,12alpha-diol-3-one
biggM:M_xoldioloneh keggC:M_C05453 seedM:M_cpd03236	secondary/obsolete/fantasy identifier