Metabolomics Structure Database

 
MW REGNO: 78878
Common Name:Lys-Asn
Systematic Name:L-Lysyl-L-asparagine
RefMet Name:Lys-Asn
Synonyms:Lysyl-asparagine [PubChem Synonyms]
Exact Mass:
260.1485 (neutral)    Calculate m/z:
Formula:C10H20N4O4
InChIKey:JPNRPAJITHRXRH-BQBZGAKWSA-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:Dipeptides [C0004830]
SMILES:C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:11219156
HMDB ID:HMDB0028946
Plant Metabolite Hub(Pmhub):MS000241178

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

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