Metabolomics Structure Database

 
MW REGNO: 71621
Common Name:Choline phosphate
Systematic Name:2-(trimethylammonio)ethyl hydrogen phosphate
RefMet Name:Choline phosphate
Synonyms: [PubChem Synonyms]
Exact Mass:
183.0660 (neutral)    Calculate m/z:
Formula:C5H14NO4P
InChIKey:YHHSONZFOIEMCP-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Quaternary ammonium salts [C0000503]
ClassyFire direct parent:Phosphocholines [C0001250]
MoNA MS spectra:View MS spectra
SMILES:C[N+](C)(C)CCOP(=O)([O-])O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:135437
Plant Metabolite Hub(Pmhub):MS000008346

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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