RefMet Compound Details

MW structure78850 (View MW Metabolite Database details)
RefMet nameIle-Pro
Systematic nameL-Isoleucyl-L-proline
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass228.147393 (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
FormulaC11H20N2O3View other entries in RefMet with this formula
InChIKeyBBIXOODYWPFNDT-CIUDSAMLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID444876
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)