Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67620
Common Name:	METHYLUREA
Systematic Name:	methylurea
RefMet Name:	N-Methylurea
Synonyms:	N-Methylurea; 1-Methylurea; Monomethylurea; Urea, methyl- [PubChem Synonyms]
Exact Mass:	74.0480 (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:	C2H6N2O
InChIKey:	XGEGHDBEHXKFPX-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Organic carbonic acids and derivatives [C0000364]
ClassyFire subclass:	Ureas [C0000517]
ClassyFire direct parent:	Ureas [C0000517]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CNC(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	11719
CHEBI ID:	44383
HMDB ID:	HMDB0254670
KEGG ID:	C16363
BMRB ID:	bmse000738
NP-MRD ID(NMR):	NP0002886
Plant Metabolite Hub(Pmhub):	MS000025097

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