Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37910
Common Name:	N,N-Dimethylformamide
Systematic Name:	N,N-dimethylformamide
RefMet Name:	N,N-Dimethylformamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	73.0528 (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:	C3H7NO
InChIKey:	ZMXDDKWLCZADIW-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Carboxylic acid derivatives [C0001093]
ClassyFire direct parent:	Tertiary carboxylic acid amides [C0001664]
MoNA MS spectra:	View MS spectra
SMILES:	CN(C)C=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6228
CHEBI ID:	17741
HMDB ID:	HMDB0001888
KEGG ID:	C03134
Chemspider ID:	5993
BMRB ID:	bmse000709
MetaCyc ID:	CPD-581
EPA CompTox DB:	DTXCID20515
Plant Metabolite Hub(Pmhub):	MS000008258

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