Metabolomics Structure Database

 
MW REGNO: 78730
Common Name:Asp-Pro
Systematic Name:L-Aspartyl-L-proline
RefMet Name:Asp-Pro
Synonyms:Aspartyl-proline [PubChem Synonyms]
Exact Mass:
230.0903 (neutral)    Calculate m/z:
Formula:C9H14N2O5
InChIKey:UKGGPJNBONZZCM-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:N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:170612
CHEBI ID:137245
HMDB ID:HMDB0002335

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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