RefMet Compound Details

MW structure55825 (View MW Metabolite Database details)
RefMet nameDL-Threonine
Systematic name2-amino-3-hydroxybutanoic acid
SMILESCC(C(C(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass119.058244 (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
FormulaC4H9NO3View other entries in RefMet with this formula
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAYFVYJQAPQTCCC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID205
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo