Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	66926
Common Name:	Monoethylglycinexylidide
Systematic Name:	N-(2,6-dimethylphenyl)-N(2)-ethylglycinamide
RefMet Name:	Monoethylglycinexylidide
Synonyms:	2-Ethylamino-2',6'-acetoxylidide; 2-Ethylamino-2,6-acetoxylidine; Ethylglycylxylidide; Lidocaine N-de-ethylated metabolite; N-(2,6-Dimethylphenyl)-2-(ethylamino)acetamide; N-Ethylglycinexylidide; omega-(ethylamino)-2',6'-dimethylacetanilide [PubChem Synonyms]
Exact Mass:	206.1419 (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:	C12H18N2O
InChIKey:	WRMRXPASUROZGT-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	Alpha amino acid amides [C0002309]
MoNA MS spectra:	View MS spectra
SMILES:	CCNCC(=O)Nc1c(C)cccc1C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	24415
CHEBI ID:	222828
HMDB ID:	HMDB0060656
EPA CompTox DB:	DTXCID40150497
Plant Metabolite Hub(Pmhub):	MS000002729

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