Metabolomics Structure Database

 
MW REGNO: 78533
Common Name:O-Palmitoylcholine
Systematic Name:2-hexadecanoyloxyethyl(trimethyl)ammonium
RefMet Name:Palmitoylcholine
Synonyms:Palmitoylcholine [PubChem Synonyms]
Exact Mass:
342.3372 (neutral)    Calculate m/z:
Formula:C21H44NO2
InChIKey:ODYPFMHOOQOHEF-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Quaternary ammonium salts [C0000503]
ClassyFire direct parent:Cholines [C0001012]
SMILES:CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Studies:Available studies (via RefMet name)

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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

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