Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45095
Common Name:	Ethiofencarb
Systematic Name:	2-[(ethylsulfanyl)methyl]phenyl N-methylcarbamate
RefMet Name:	Ethiofencarb
Synonyms:	[PubChem Synonyms]
Exact Mass:	225.0823 (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:	C11H15NO2S
InChIKey:	HEZNVIYQEUHLNI-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Phenyl methylcarbamates [C0004640]
ClassyFire direct parent:	Phenyl methylcarbamates [C0004640]
MoNA MS spectra:	View MS spectra
SMILES:	CCSCc1ccccc1OC(=O)NC
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	34766
CHEBI ID:	38483
HMDB ID:	HMDB0031782
KEGG ID:	C18649
Chemspider ID:	31991
EPA CompTox DB:	DTXCID1017545
Plant Metabolite Hub(Pmhub):	MS000026668

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