RefMet Compound Details

MW structure79045 (View MW Metabolite Database details)
RefMet nameVal-Ile
Systematic nameL-Valyl-L-isoleucine
SMILESCC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass230.163043 (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
FormulaC11H22N2O3View other entries in RefMet with this formula
InChIKeyPNVLWFYAPWAQMU-CIUDSAMLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7010532
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)