Metabolomics Structure Database

 
MW REGNO: 79044
Common Name:Val-His
Systematic Name:L-Valyl-L-histidine
RefMet Name:Val-His
Synonyms:Valyl-histidine [PubChem Synonyms]
Exact Mass:
254.1379 (neutral)    Calculate m/z:
Formula:C11H18N4O3
InChIKey:BNQVUHQWZGTIBX-IUCAKERBSA-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:CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7408625
CHEBI ID:73700
HMDB ID:HMDB0029129
Plant Metabolite Hub(Pmhub):MS000238846

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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