RefMet Compound Details

MW structure43228 (View MW Metabolite Database details)
RefMet nameEdetic acid
Systematic name2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid
SMILESC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass292.090668 (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
FormulaC10H16N2O8View other entries in RefMet with this formula
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassCarboxylic acids
Sub ClassTetracarboxylic acids
Pubchem CID6049
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo