Metabolomics Structure Database

 
MW REGNO: 78939
Common Name:Pro-Asp
Systematic Name:L-Prolyl-L-aspartic acid
RefMet Name:Pro-Asp
Synonyms:Prolyl-aspartic acid [PubChem Synonyms]
Exact Mass:
230.0903 (neutral)    Calculate m/z:
Formula:C9H14N2O5
InChIKey:GLEOIKLQBZNKJZ-WDSKDSINSA-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:C1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7079450
CHEBI ID:74756
HMDB ID:HMDB0029013
EPA CompTox DB:DTXCID80823512
Plant Metabolite Hub(Pmhub):MS000239424

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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