Metabolomics Structure Database

 
MW REGNO: 78729
Common Name:Asp-Phe
Systematic Name:L-Aspartyl-L-phenylalanine
RefMet Name:Asp-Phe
Synonyms:Aspartyl-phenylalanine [PubChem Synonyms]
Exact Mass:
280.1059 (neutral)    Calculate m/z:
Formula:C13H16N2O5
InChIKey:YZQCXOFQZKCETR-UWVGGRQHSA-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]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:93078
CHEBI ID:385866
HMDB ID:HMDB0000706
NP-MRD ID(NMR):NP0000870
Plant Metabolite Hub(Pmhub):MS000005389

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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