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5alpha-cholestane-3beta,5,6beta-triol

Properties

Image

Occurences in reactions

MNX_ID

MNXM2201

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₂₇H₄₈O₃

charge

mass

420.36035

reference

chebi:28082

InChIKey

YMMFNKXZULYSOQ-RUXQDQFYSA-N

InChI

InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,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]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28082 chebi:28082	5alpha-cholestane-3beta,5,6beta-triol 3beta,5alpha,6beta-Cholestanetriol 3beta,5alpha,6beta-Trihydroxycholestane Cholestane-3-beta,5-alpha,6-beta-triol Cholestane-3beta-5alpha,6beta-triol
hmdb:HMDB0003990	3b,5a,6b-Cholestanetriol (1S,2R,5S,7R,8R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,7,8-triol 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine 1-Palmitoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine 1-Palmitoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion 2-Ammonioethyl (2R)-3-(palmitoyloxy)-2-(stearoyloxy)propyl phosphate 2-Ammonioethyl (2R)-3-(palmitoyloxy)-2-(stearoyloxy)propyl phosphoric acid 3b,5a,6b-Trihydroxycholestane 3beta,5alpha,6beta-Cholestanetriol 3beta,5alpha,6beta-Trihydroxycholestane 3beta,5alpha,6beta-cholestanetriol 3beta,5alpha,6beta-trihydroxycholestane 5-alpha,6-beta-Dihydroxycholestanol 5a,6b-Dihydroxycholestanol 5alpha,6beta-Dihydroxycholestanol 5alpha,6beta-dihydroxycholestanol 5alpha-Cholestane-3beta,5,6beta-triol CT Cholesta-3beta,5alpha,6beta-triol Cholestane-3 beta,5 alpha,6 beta-triol Cholestane-3,5,6-triol Cholestane-3,5,6-triol, (3beta)-isomer Cholestane-3,5,6-triol, (3beta, 5alpha, 6alpha)-isomer Cholestane-3,5,6-triol, (3beta, 5alpha, 6beta)-isomer Cholestane-3,5,6-triol, (3beta, 5beta, 6beta)-isomer Cholestane-3,5,6-triol, (3beta, 6beta)-isomer Cholestane-3-b,5-a,6-b-triol Cholestane-3-beta,5-alpha,6-beta-triol Cholestane-3b-5a,6b-triol Cholestane-3beta,5alpha,6beta-triol Cholestane-3beta-5alpha,6beta-triol GPEtn(16:0/18:0) GPEtn(34:0) PE(34:0) Phophatidylethanolamine(16:0/18:0) Phophatidylethanolamine(34:0) cholestane-3beta,5alpha,6beta-triol
kegg.compound:C05425 keggC:C05425	3beta,5alpha,6beta-Cholestanetriol Cholestane-3beta-5alpha,6beta-triol
seed.compound:cpd03213 seedM:cpd03213	3beta,5alpha,6beta-Cholestanetriol Cholestane-3beta-5alpha,6beta-triol cholestane-3-beta-5-alpha,6-beta-triol
lipidmaps:LMST01010052 lipidmapsM:LMST01010052	5alpha,6beta-dihydroxycholestanol O3 ST 27:0 cholestane-3beta,5alpha,6beta-triol
metacyc.compound:CPD-8896 metacycM:CPD-8896	cholestane-3-beta-5-alpha,6-beta-triol 3beta,5alpha,6beta-Cholestanetriol
hmdb:HMDB03990 chebi:1717 chebi:20241 keggC:M_C05425 seedM:M_cpd03213	secondary/obsolete/fantasy identifier