RefMet Compound Details

RefMet IDRM0156001
MW structure38325 (View MW Metabolite Database details)
RefMet nameD-Tagatose   Species distribution   Sample source distribution
Systematic name(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
SMILESC([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass180.063390 (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
FormulaC6H12O6View other entries in RefMet with this formula
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
InChIKeyBJHIKXHVCXFQLS-PQLUHFTBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassOrganooxygen compounds
Sub ClassOrganooxygen compounds
Pubchem CID92092
ChEBI ID47693
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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