RefMet Compound Details

MW structure56339 (View MW Metabolite Database details)
RefMet namePentaethylene glycol
Systematic name3,6,9,12-tetraoxatetradecane-1,14-diol
SMILESOCCOCCOCCOCCOCCO
Exact mass238.141640 (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
FormulaC10H22O6View other entries in RefMet with this formula
InChIInChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKeyJLFNLZLINWHATN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassDialkyl ethers
Sub ClassPolyethylene glycols
Pubchem CID62551
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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