RefMet Compound Details

MW structure38153 (View MW Metabolite Database details)
RefMet nameN-Methyl-D-aspartic acid
Systematic name(2R)-2-(methylamino)butanedioic acid
SMILESCN[C@H](CC(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass147.053159 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H9NO4View other entries in RefMet with this formula
InChIKeyHOKKHZGPKSLGJE-GSVOUGTGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID22880
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)