RefMet Compound Details

MW structure37356 (View MW Metabolite Database details)
RefMet nameGlutaric acid
Systematic namepentanedioic acid
SMILESC(CC(=O)O)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 5:1;O2 View other entries in RefMet with this sum composition
Exact mass132.042260 (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
FormulaC5H8O4View other entries in RefMet with this formula
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKeyJFCQEDHGNNZCLN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID743
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo