Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45800
Common Name:	Diazinon
Systematic Name:	ethyl 6-methyl-2-(propan-2-yl)pyrimidin-4-yl ethoxy(sulfanylidene)phosphonite
RefMet Name:	Diazinon
Synonyms:	[PubChem Synonyms]
Exact Mass:	304.1010 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H21N2O3PS
InChIKey:	FHIVAFMUCKRCQO-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:	Pyrimidinyl phosphorothioates [C0004771]
Massbank MS spectra:	View MS spectra
SMILES:	CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3017
CHEBI ID:	34682
HMDB ID:	HMDB0032943
KEGG ID:	C14324
Chemspider ID:	2909
MetaCyc ID:	CPD-8965
EPA CompTox DB:	DTXCID50407
Plant Metabolite Hub(Pmhub):	MS000002015

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