RefMet Compound Details

MW structure78948 (View MW Metabolite Database details)
RefMet namePro-Met
Systematic nameL-Prolyl-L-methionine
SMILESCSCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass246.103815 (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
FormulaC10H18N2O3SView other entries in RefMet with this formula
InChIKeyMTWJTFBVRDGROD-YUMQZZPRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7408173
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)