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(25R)-5beta-cholestane-3alpha,7alpha,26-triol

MNXM726829 is deprecated and replaced by MNXM1103845

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103845

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	13

formula

C₂₇H₄₈O₃

charge

mass

420.36035

reference

metacycM:CPD-10586

InChIKey

OQIJRBFRXGIHMI-WKNWCLFJSA-N

InChI

InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-10586 metacycM:CPD-10586 seed.compound:cpd22725 seedM:cpd22725	(25R)-5beta-cholestane-3alpha,7alpha,26-triol
bigg.metabolite:xol7ah3 biggM:xol7ah3	3alpha,7alpha,26-Trihydroxy-5beta-cholestane
sabiork.compound:7916 sabiorkM:7916 kegg.compound:C05444 keggC:C05444	3alpha,7alpha,26-Trihydroxy-5beta-cholestane 5beta-Cholestane-3alpha,7alpha,26-triol
seed.compound:cpd03227 seedM:cpd03227	5beta-Cholestane-3alpha,7alpha,26-triol 3alpha,7alpha,26-Trihydroxy-5beta-cholestane
lipidmaps:LMST04030020 lipidmapsM:LMST04030020	5beta-Cholestane-3alpha,7alpha,26-triol O3 ST 27:0
reactome:R-ALL-193387 reactomeM:R-ALL-193387 reactome:R-ALL-193842 reactomeM:R-ALL-193842 CHEBI:28540 chebi:28540	5beta-cholestane-3alpha,7alpha,26-triol 3alpha,7alpha,26-Trihydroxy-5beta-cholestane 3alpha,7alpha,26-trihydroxy-5beta-cholestane 5beta-Cholestane-3alpha,7alpha,26-triol 5beta-cholestan-3alpha,7alpha,26-triol Cholestane-3,7,26-triol
chebi:1702 chebi:20226 biggM:M_xol7ah3 keggC:M_C05444 seedM:M_cpd03227 seedM:M_cpd22725	secondary/obsolete/fantasy identifier