Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68523
Common Name:	Methyl 2-diazoacetamidohexonate
Systematic Name:	2-[[(1S)-1-methoxycarbonylpentyl]amino]-2-oxo-ethanediazonium
RefMet Name:	Methyl 2-diazoacetamidohexonate
Synonyms:	AC1L97DB; Methyl 2-diazoacetamidohexonate [PubChem Synonyms]
Exact Mass:	214.1192 (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:	C9H16N3O3
InChIKey:	OZHCMJTXDLRZPF-ZETCQYMHSA-O
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:	N-acyl-alpha amino acids and derivatives [C0001189]
SMILES:	CCCC[C@@H](C(=O)OC)NC(=O)C[N+]#N
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439447
KEGG ID:	C01223
Plant Metabolite Hub(Pmhub):	MS000017160

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