RefMet Compound Details

MW structure35 (View MW Metabolite Database details)
RefMet nameTridecylic acid
Alternative nameFA 13:0
Systematic nametridecanoic acid
SMILESCCCCCCCCCCCCC(O)=O
Sum CompositionTridecylic acid View other entries in RefMet with this sum composition
Exact mass214.193280 (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
FormulaC13H26O2View other entries in RefMet with this formula
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeySZHOJFHSIKHZHA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID12530
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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