Metabolomics Structure Database

 
MW REGNO: 37073
Common Name:Choline
Systematic Name:(2-hydroxyethyl)trimethylazanium
Synonyms: [PubChem Synonyms]
Exact Mass:
104.1075 (neutral)    Calculate m/z:
Formula:C5H14NO
InChIKey:OEYIOHPDSNJKLS-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Quaternary ammonium salts [C0000503]
ClassyFire direct parent:Cholines [C0001012]
MoNA MS spectra:View spectra
Studies:Available studies

Select appropriate tab below to view additional details:

External database links:

PubChem CID:305
CHEBI ID:15354
HMDB ID:HMDB0000097
KEGG ID:C00114
Chemspider ID:299
METLIN ID:56
BMRB ID:bmse001003
MetaCyc ID:CHOLINE

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