Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50817
Common Name:	D-lysopine
Systematic Name:	N(2)-[(1R)-1-carboxyethyl]-L-lysine
RefMet Name:	D-Lysopine
Synonyms:	(R)-N(2)-(1-Carboxyethyl)-L-lysine; D-lysopine; Lysopine; N(2)-(D-1-carboxyethyl)-L-lysine [PubChem Synonyms]
Exact Mass:	218.1267 (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:	C9H18N2O4
InChIKey:	ZZYYVZYAZCMNPG-RQJHMYQMSA-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:	Alanine and derivatives [C0004314]
SMILES:	C[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	193187
CHEBI ID:	17213
KEGG ID:	C04020
MetaCyc ID:	CPD-306
Plant Metabolite Hub(Pmhub):	MS000018168

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