Metabolomics Structure Database

MW REGNO: 38294
Common Name:Symmetric dimethyl-L-arginine
Systematic Name:(2S)-2-amino-5-[(E)-1,2-dimethylcarbamimidamido]pentanoic acid
RefMet Name:Symmetric dimethylarginine
Synonyms:Symmetric dimethylarginine; SDMA [PubChem Synonyms]
Exact Mass:
202.1430 (neutral)    Calculate m/z:
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:Arginine and derivatives [C0004320]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
Studies:Available studies (via RefMet name)

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Calculated physicochemical properties (?):

Heavy Atoms: 14  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 7  
van der Waals Molecular volume: 203.26 Å3 molecule-1  
Toplogical Polar Sufrace Area: 99.74 Å2 molecule-1  
Hydrogen Bond Donors: 4  
Hydrogen Bond Acceptors: 3  
logP: -0.46  
Molar Refractivity: 56.27  
Fraction sp3 Carbons: 0.75  
sp3 Carbons: 6  


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