Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OHON
MW REGNO: 204320
Common Name:N,N-Dimethylvaline
Systematic Name:(2S)-2-(dimethylamino)-3-methyl-butanoic acid
Synonyms:N,N-Dimethyl-L-Valine [PubChem Synonyms]
Exact Mass:
145.1103 (neutral)    Calculate m/z:
Formula:C7H15NO2
InChIKey:APGLTERDKORUHK-LURJTMIESA-N
ClassyFire superclass:Organic acids
ClassyFire subclass:Amino acids and peptides
ClassyFire direct parent:Amino acids
SMILES:CC(C)[C@@H](C(=O)O)N(C)C
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:11008044
CHEBI ID:173190

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

  logo