RefMet Compound Details

MW structure45586 (View MW Metabolite Database details)
RefMet nameTriethanolamine
Systematic name2-[bis(2-hydroxyethyl)amino]ethan-1-ol
SMILESC(CO)N(CCO)CCO   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass149.105194 (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
FormulaC6H15NO3View other entries in RefMet with this formula
InChIKeyGSEJCLTVZPLZKY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassTertiary amines
Pubchem CID7618
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)