RefMet Compound Details

MW structure41523 (View MW Metabolite Database details)
RefMet nameN-Acetylleucine
Systematic name(2S)-2-acetamido-4-methylpentanoic acid
Canonical SMILESCC(=O)N[C@@H](CC(C)C)C(O)=O
Exact mass173.1052View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H15NO3View other entries in RefMet with this formula
InChIInChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKeyWXNXCEHXYPACJF-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub classAmino acids
Pubchem CID70912
  logo