RefMet Compound Details

MW structure41524 (View MW Metabolite Database details)
RefMet nameN-Acetylvaline
Systematic name2-acetamido-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)NC(=O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass159.089544 (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
FormulaC7H13NO3View other entries in RefMet with this formula
InChIKeyIHYJTAOFMMMOPX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID227752
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)