Metabolomics Structure Database

 
MW REGNO: 34373
Common Name:7alpha-hydroxy-cholesterol
Systematic Name:cholest-5-en-3beta,7alpha-diol
RefMet Name:7alpha-Hydroxy-cholesterol
Synonyms: [PubChem Synonyms]
Exact Mass:
402.3498 (neutral)    Calculate m/z:
Formula:C27H46O2
InChIKey:OYXZMSRRJOYLLO-RVOWOUOISA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=C[C@H]3O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:107722
LIPID MAPS ID:LMST01010013
CHEBI ID:17500
HMDB ID:HMDB0001496
KEGG ID:C03594
MetaCyc ID:CPD-266
Plant Metabolite Hub(Pmhub):MS000008614

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