RefMet Compound Details

MW structure71819 (View MW Metabolite Database details)
RefMet nameThreonic acid
Systematic name(2R,3S)-2,3,4-trihydroxybutyric acid
SMILESC([C@@H]([C@H](C(=O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass136.037175 (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
FormulaC4H8O5View other entries in RefMet with this formula
InChIInChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1
InChIKeyJPIJQSOTBSSVTP-STHAYSLISA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar acids
Pubchem CID5460407
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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