RefMet Compound Details

MW structure37077 (View MW Metabolite Database details)
RefMet nameGalactitol
Systematic name(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
SMILESC([C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass182.079040 (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
FormulaC6H14O6View other entries in RefMet with this formula
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
InChIKeyFBPFZTCFMRRESA-GUCUJZIJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar alcohols
Pubchem CID11850
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Galactitol

Rxn IDKEGG ReactionEnzyme
R01093 D-Galactose + NADH + H+ <=> Galactitol + NAD+galactitol:NAD+ 1-oxidoreductase
R01095 D-Galactose + NADPH + H+ <=> Galactitol + NADP+galactitol:NADP+ 1-oxidoreductase

Table of KEGG human pathways containing Galactitol

Pathway IDHuman Pathway# of reactions
hsa00052 Galactose metabolism 2
hsa01100 Metabolic pathways 2
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