RefMet Compound Details

MW structure49900 (View MW Metabolite Database details)
RefMet name2-Deoxy-glucose
Systematic name(4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESC1[C@H]([C@@H]([C@@H](CO)OC1O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass164.068475 (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
FormulaC6H12O5View other entries in RefMet with this formula
InChIKeyPMMURAAUARKVCB-CERMHHMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassHexoses
Pubchem CID439268
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)