RefMet Compound Details

MW structure64903 (View MW Metabolite Database details)
RefMet nameS-Methylmethionine
Systematic name(2S)-2-amino-4-(dimethylsulfonio)butanoate
SMILESC[S+](C)CC[C@H](N)C(=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass163.066699 (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
FormulaC6H13NO2SView other entries in RefMet with this formula
InChIKeyYDBYJHTYSHBBAU-YFKPBYRVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID10197842
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)