Metabolomics Structure Database

 
MW REGNO: 37746
Common Name:Parathion
Systematic Name:ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite
RefMet Name:Parathion
Synonyms: [PubChem Synonyms]
Exact Mass:
291.0330 (neutral)    Calculate m/z:
Formula:C10H14NO5PS
InChIKey:LCCNCVORNKJIRZ-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic thiophosphoric acids and derivatives [C0001303]
ClassyFire subclass:Thiophosphoric acid esters [C0001572]
ClassyFire direct parent:Phenyl thiophosphates [C0004748]
Massbank MS spectra:View MS spectra
SMILES:CCOP(=S)(Oc1ccc(cc1)[N+]([O-])=O)OCC
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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