RefMet Compound Details

MW structure57174 (View MW Metabolite Database details)
RefMet nameMethionine sulfoxide
Systematic name2-amino-4-methanesulfinylbutanoic acid
SMILESC[S@@](=O)CC[C@H](N)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass165.045966 (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
FormulaC5H11NO3SView other entries in RefMet with this formula
InChIKeyQEFRNWWLZKMPFJ-ZXPFJRLXSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID10062737
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)