Metabolomics Structure Database

 
MW REGNO: 78670
Common Name:Ala-Pro
Systematic Name:L-Alanyl-L-proline
RefMet Name:Ala-Pro
Synonyms:Alanyl-proline [PubChem Synonyms]
Exact Mass:
186.1004 (neutral)    Calculate m/z:
Formula:C8H14N2O3
InChIKey:WPWUFUBLGADILS-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:C[C@@H](N)C(=O)N1CCC[C@@H]1C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:83525
CHEBI ID:73393
HMDB ID:HMDB0028695
Plant Metabolite Hub(Pmhub):MS000000394

Calculated physicochemical properties:

No data available

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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