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(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-al

Properties

Image

Occurences in reactions

MNX_ID

MNXM1174

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	13

formula

C₂₇H₄₆O₃

charge

mass

418.3447

reference

metacycM:CPD-10587

InChIKey

YWGOKHMOJTZGBN-WKNWCLFJSA-N

InChI

InChI=1S/C27H46O3/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/h16-25,29-30H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1

SMILES

C[C@@H](C=O)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-10587 metacycM:CPD-10587 seed.compound:cpd22726 seedM:cpd22726	(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
bigg.metabolite:xol7ah2al biggM:xol7ah2al seed.compound:cpd03228 seedM:cpd03228 kegg.compound:C05445 keggC:C05445	3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
reactome:R-ALL-193435 reactomeM:R-ALL-193435 CHEBI:27428 chebi:27428	3alpha,7alpha-dihydroxy-5beta-cholestan-26-al 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
lipidmaps:LMST04030162 lipidmapsM:LMST04030162	3alpha,7alpha-dihydroxy-5beta-cholestan-26-al 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al O3 ST 27:1
chebi:1706 chebi:20231 biggM:M_xol7ah2al keggC:M_C05445 seedM:M_cpd03228 seedM:M_cpd22726	secondary/obsolete/fantasy identifier