Metabolomics Structure Database

 
MW REGNO: 78949
Common Name:Pro-Phe
Systematic Name:L-Prolyl-L-phenylalanine
RefMet Name:Pro-Phe
Synonyms:Prolyl-phenylalanine [PubChem Synonyms]
Exact Mass:
262.1317 (neutral)    Calculate m/z:
Formula:C14H18N2O3
InChIKey:IWIANZLCJVYEFX-RYUDHWBXSA-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
SMILES:c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6351946
CHEBI ID:74795
HMDB ID:HMDB0011179
Plant Metabolite Hub(Pmhub):MS000012658

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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