Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0HHHOHOH
MW REGNO: 34552
Common Name:15-ketocholestene
Systematic Name:3beta-hydroxy-5alpha-cholest-8(14)-en-15-one
RefMet Name:15-Ketocholestene
Synonyms: [PubChem Synonyms]
Exact Mass:
400.3341 (neutral)    Calculate m/z:
Formula:C27H44O2
InChIKey:LINVVMHRTUSXHL-GGVPDPBRSA-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(=O)C2=C3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:10046567
LIPID MAPS ID:LMST01010269
CHEBI ID:61829

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