RefMet Compound Details

RefMet IDRM0138802
MW structure8970 (View MW Metabolite Database details)
RefMet nameTriacetin
Systematic name1,2,3-triacetyl-sn-glycerol
SMILESCC(=O)OCC(COC(=O)C)OC(=O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass218.079040 (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
FormulaC9H14O6View other entries in RefMet with this formula
InChIInChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKeyURAYPUMNDPQOKB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassGlycerolipids
Main ClassTriradylglycerols
Sub ClassTAG (Triacylglycerols)
Pubchem CID5541
ChEBI ID9661
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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