Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67733
Common Name:	L-NAME
Systematic Name:	methyl (2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoate
Synonyms:	AmbotzHAA5810; Tocris-0665; NG-NITROARGININE METHYL ESTER; N-Nitroarginine methyl ester; CHEMBL7890 [PubChem Synonyms]
Exact Mass:	233.1124 (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:	C7H15N5O4
InChIKey:	KCWZGJVSDFYRIX-YFKPBYRVSA-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 esters [C0000394]
SMILES:	COC(=O)[C@H](CCC/N=C(\N)/N[N+](=O)[O-])N
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	39836
KEGG ID:	C04337
Plant Metabolite Hub(Pmhub):	MS000007273

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