Metabolomics Structure Database

 
MW REGNO: 78689
Common Name:Arg-Phe
Systematic Name:L-Arginyl-L-phenylalanine
RefMet Name:Arg-Phe
Synonyms:Arginyl-phenylalanine [PubChem Synonyms]
Exact Mass:
321.1801 (neutral)    Calculate m/z:
Formula:C15H23N5O3
InChIKey:PQBHGSGQZSOLIR-RYUDHWBXSA-N
ClassyFire superclass:Organic acids and derivatives
ClassyFire class:Carboxylic acids and derivatives
ClassyFire subclass:Amino acids, peptides, and analogues
ClassyFire direct parent:Dipeptides
SMILES:c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:150964
CHEBI ID:73818
HMDB ID:HMDB0028716
Plant Metabolite Hub(Pmhub):MS000240106

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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.

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