Metabolomics Structure Database

 
MW REGNO: 55993
Common Name:Parathion-methyl
Systematic Name:O,O-dimethyl O-(4-nitrophenyl) phosphorothioate
RefMet Name:Parathion-methyl
Synonyms:Dimethyl p-nitrophenyl thiophosphate; Dimethyl parathion; Methyl parathion; O,O-Dimethyl O-(p-nitrophenyl) thionophosphate; Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester; Phosphorothioic acid, o,o-dimethyl-o-p-nitrophenyl ester [PubChem Synonyms]
Exact Mass:
263.0017 (neutral)    Calculate m/z:
Formula:C8H10NO5PS
InChIKey:RLBIQVVOMOPOHC-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:COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:4130
CHEBI ID:38746
HMDB ID:HMDB0256125
MetaCyc ID:CPD-8973
Plant Metabolite Hub(Pmhub):MS000000452

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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