RefMet Compound Details

MW structure38176 (View MW Metabolite Database details)
RefMet nameGalacturonic acid
Systematic name(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
SMILESC(=O)[C@@H]([C@H]([C@H]([C@@H](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
InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
InChIKeyIAJILQKETJEXLJ-RSJOWCBRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar acids
Pubchem CID84740
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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