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7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103395

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₇H₄₆O₄

charge

mass

434.33961

reference

chebi:48834

InChIKey

UCVRZTRGVBWBPR-SSGCBCEYSA-N

InChI

InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

SMILES

CC(CO)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-193829 reactomeM:R-ALL-193829 CHEBI:48834 chebi:48834	7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one 5beta-cholestan-7alpha,12alpha,26-triol-3-one 7,12,26-Tohco
bigg.metabolite:M01082 biggM:M01082	5Beta-Cholestan-7Alpha,12Alpha,27-Triol-3-One
lipidmaps:LMST04030100 lipidmapsM:LMST04030100	7alpha,12alpha,26-Trihydroxy-5beta-cholestan-3-one O4 ST 27:1
biggM:M_M01082	secondary/obsolete/fantasy identifier