Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42673
Common Name:	Lidocaine
Systematic Name:	2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
RefMet Name:	Lidocaine
Synonyms:	[PubChem Synonyms]
Exact Mass:	234.1732 (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:	C14H22N2O
InChIKey:	NNJVILVZKWQKPM-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]
Massbank MS spectra:	View MS spectra
SMILES:	CCN(CC)CC(=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:	3676
CHEBI ID:	6456
HMDB ID:	HMDB0014426
KEGG ID:	C07073
Chemspider ID:	3548
EPA CompTox DB:	DTXCID9025166
Plant Metabolite Hub(Pmhub):	MS000000630

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