RefMet Compound Details

MW structure1976 (View MW Metabolite Database details)
RefMet nameAzelaic acid
Systematic nameNonanedioic acid
SMILESOC(=O)CCCCCCCC(O)=O
Exact mass188.104860 (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
FormulaC9H16O4View other entries in RefMet with this formula
InChIInChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKeyBDJRBEYXGGNYIS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID2266
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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