RefMet Compound Details

MW structure38475 (View MW Metabolite Database details)
RefMet nameThreitol
Systematic name(2R,3R)-butane-1,2,3,4-tetrol
SMILESC([C@H]([C@@H](CO)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass122.057910 (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
FormulaC4H10O4View other entries in RefMet with this formula
InChIKeyUNXHWFMMPAWVPI-QWWZWVQMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar alcohols
Pubchem CID169019
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)