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(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al

Properties

Image

Occurences in reactions

MNX_ID

MNXM730282

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	14

formula

C₂₇H₄₆O₄

charge

mass

434.33961

reference

chebi:48940

InChIKey

USFJGINJGUIFSY-IUFSEJPUSA-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/h15-25,29-31H,5-14H2,1-4H3/t16-,17-,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](C[C@H](O)[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
CHEBI:48940 chebi:48940 SLM:000000430 slm:000000430	(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
lipidmaps:LMST04030161 lipidmapsM:LMST04030161	(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al O4 ST 27:1
metacyc.compound:3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX metacycM:3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX	(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestan-26-al 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
hmdb:HMDB0003533	3a,7a,12a-Trihydroxy-5b-cholestan-26-al (3a,5b,7a,12a)-3,7,12-Trihydroxycholestan-26-al (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al (6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal (6R)-2-methyl-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]heptanal 3 alpha,7-alpha,12 alpha-Trihydroxy-5 beta-cholestan-26-al 3,7,12-Trihydroxycholestan-26-al 3-alpha-7-alpha-12-alpha-Trihydroxy-5-beta-cholestan-26-al 3alpha,7-alpha,12alpha-Trihydroxy-5beta-cholestan-26-al
bigg.metabolite:thcholst biggM:thcholst sabiork.compound:5517 sabiorkM:5517 kegg.compound:C01301 keggC:C01301	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al
seed.compound:cpd00955 seedM:cpd00955	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholestan-26-al 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
reactome:R-ALL-191968 reactomeM:R-ALL-191968 CHEBI:16466 chebi:16466	3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al 3,7,12-trihydroxycholestan-26-al 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al
lipidmaps:LMST04030164 lipidmapsM:LMST04030164	3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al 3,7,12-trihydroxycholestan-26-al 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al O4 ST 27:1
hmdb:HMDB0006263 hmdb:HMDB03533 hmdb:HMDB06263 chebi:11896 chebi:1696 chebi:20218 biggM:M_thcholst keggC:M_C01301 seedM:M_cpd00955	secondary/obsolete/fantasy identifier