RefMet Compound Details

MW structure1938 (View MW Metabolite Database details)
RefMet nameTridecanedioic acid
Systematic nameTridecanedioic acid
SMILESC(CCCCCC(=O)O)CCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 13:1;O2 View other entries in RefMet with this sum composition
Exact mass244.167460 (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
FormulaC13H24O4View other entries in RefMet with this formula
InChIInChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKeyDXNCZXXFRKPEPY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID10458
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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