RefMet Compound Details

MW structure38025 (View MW Metabolite Database details)
RefMet nameMethylcysteine
Systematic name(2R)-2-amino-3-(methylsulfanyl)propanoic acid
SMILESCSC[C@@H](N)C(O)=O
Exact mass135.035401 (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
FormulaC4H9NO2SView other entries in RefMet with this formula
InChIInChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyIDIDJDIHTAOVLG-VKHMYHEASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID24417
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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