RefMet Compound Details

MW structure51332 (View MW Metabolite Database details)
RefMet name2-Dehydro-D-gluconic acid
Systematic nameD-arabino-hex-2-ulosonic acid
SMILESC([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass194.042655 (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
FormulaC6H10O7View other entries in RefMet with this formula
InChIKeyVBUYCZFBVCCYFD-JJYYJPOSSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar acids
Pubchem CID3035456
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)