Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51287
Common Name:	N-methyl-N'-nitro-N-nitrosoguanidine
Systematic Name:	1-methyl-3-nitro-1-nitrosoguanidine
RefMet Name:	N-Methyl-N'-nitro-N-nitrosoguanidine
Synonyms:	1-Methyl-1-nitroso-3-nitroguanidine; 1-Methyl-3-nitro-1-nitrosoguanidine; 1-Nitroso-3-nitro-1-methylguanidine; MNG; MNNG; Methylnitronitrosoguanidine; N'-Nitro-N-nitroso-N-methylguanidine; N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide; N-Methyl-N'-nitro-N-nitrosoguanidine; N-Methyl-N-nitroso-N'-nitroguanidine; N-Methyl-N-nitrosonitroguanidin; N-Nitroso-N-methyl-N'-nitroguanidine [PubChem Synonyms]
Exact Mass:	147.0392 (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:	C2H5N5O3
InChIKey:	VZUNGTLZRAYYDE-UHFFFAOYSA-N
ClassyFire superclass:	Organic nitrogen compounds [C0004707]
ClassyFire class:	Organonitrogen compounds [C0000278]
ClassyFire subclass:	Hydrazines and derivatives [C0000112]
ClassyFire direct parent:	Hydrazidines [C0002464]
SMILES:	CN(C(=N)N[N+](=O)[O-])N=O
Studies:	Available studies (via RefMet name)

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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