Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45099
Common Name:	Fenamiphos
Systematic Name:	{ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl}(propan-2-yl)amine
RefMet Name:	Fenamiphos
Synonyms:	[PubChem Synonyms]
Exact Mass:	303.1058 (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:	C13H22NO3PS
InChIKey:	ZCJPOPBZHLUFHF-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Phenoxy compounds [C0004742]
ClassyFire direct parent:	Phenoxy compounds [C0004742]
MoNA MS spectra:	View MS spectra
SMILES:	CCOP(=O)(NC(C)C)Oc1ccc(c(C)c1)SC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	31070
CHEBI ID:	38680
HMDB ID:	HMDB0031787
KEGG ID:	C18659
Chemspider ID:	28827
EPA CompTox DB:	DTXCID404102
Plant Metabolite Hub(Pmhub):	MS000002586

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