RefMet Compound Details

MW structure50502 (View MW Metabolite Database details)
RefMet nameN-Methyl-glutamic acid
Systematic nameN-methyl-L-glutamic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass161.068809 (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
FormulaC6H11NO4View other entries in RefMet with this formula
InChIKeyXLBVNMSMFQMKEY-BYPYZUCNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID439377
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)