Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37854
Common Name:	Formamide
Systematic Name:	formamide
RefMet Name:	Formamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	45.0215 (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:	CH3NO
InChIKey:	ZHNUHDYFZUAESO-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:	Primary carboxylic acid amides [C0001662]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	713
CHEBI ID:	16397
HMDB ID:	HMDB0001536
KEGG ID:	C00488
Chemspider ID:	693
METLIN ID:	4182
BMRB ID:	bmse000267
MetaCyc ID:	FORMAMIDE
NP-MRD ID(NMR):	NP0000527
EPA CompTox DB:	DTXCID805337
Plant Metabolite Hub(Pmhub):	MS000016883

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