Metabolomics Structure Database

 
MW REGNO: 37169
Common Name:Phosphoenolpyruvic acid
Systematic Name:2-(phosphonooxy)prop-2-enoic acid
RefMet Name:Phosphoenolpyruvic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
167.9824 (neutral)    Calculate m/z:
Formula:C3H5O6P
InChIKey:DTBNBXWJWCWCIK-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic phosphoric acids and derivatives [C0000402]
ClassyFire subclass:Phosphate esters [C0000408]
ClassyFire direct parent:Phosphate esters [C0000408]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:C=C(OP(O)(O)=O)C(O)=O
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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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