Metabolomics Structure Database

MW REGNO: 37857
Common Name:Dimethyl-L-arginine
Systematic Name:(2S)-2-amino-5-(1,1-dimethylcarbamimidamido)pentanoic acid
RefMet Name:Dimethylarginine
Synonyms:Assymetric Dimethyl-L-arginine; Assymetric Dimethylarginine; ADMA [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:Alpha amino acids [C0002404]
MoNA MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:123831
CHEBI ID:17929
KEGG ID:C03626
Chemspider ID:110375
MetaCyc ID:CPD-596
Plant Metabolite Hub(Pmhub):MS000007646

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: 102.44 Å2 molecule-1  
Hydrogen Bond Donors: 4  
Hydrogen Bond Acceptors: 3  
logP: -0.16  
Molar Refractivity: 55.26  
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