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
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
InChIInChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
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)
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