Metabolomics Structure Database
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| 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: | |
| 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) |
Select appropriate tab below to view additional details:
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
