Metabolomics Structure Database

 
MW REGNO: 34361
Common Name:Cholesterol
Systematic Name:cholest-5-en-3beta-ol
RefMet Name:Cholesterol
Synonyms:Cholesterol; Cholest-5-en-3-ol; (3beta)-Cholest-5-en-3-ol; Cholesteryl alcohol [PubChem Synonyms]
Exact Mass:
386.3549 (neutral)    Calculate m/z:
Formula:C27H46O
InChIKey:HVYWMOMLDIMFJA-DPAQBDIFSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
MoNA MS spectra:View MS spectra
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:5997
LIPID MAPS ID:LMST01010001
CHEBI ID:16113
HMDB ID:HMDB0000067
KEGG ID:C00187
MetaCyc ID:CHOLESTEROL
EPA CompTox DB:DTXCID60204224
Plant Metabolite Hub(Pmhub):MS000010120

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo