RefMet Compound Details

MW structure30 (View MW Metabolite Database details)
RefMet nameCaprylic acid
Alternative nameFA 8:0
Systematic nameoctanoic acid
SMILESCCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 8:0 View other entries in RefMet with this sum composition
Exact mass144.115030 (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
FormulaC8H16O2View other entries in RefMet with this formula
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID379
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Caprylic acid

Rxn IDKEGG ReactionEnzyme
R08157 Octanoyl-[acp] + H2O <=> Acyl-carrier protein + Octanoic acidoctanoyl-[acyl-carrier protein] hydrolase
R12429 ATP + Octanoic acid + Lipoyl-carrier protein E2 <=> [Lipoyl-carrier protein E2]-N6-octanoyl-L-lysine + AMP + Diphosphate[lipoyl-carrier protein E2]-L-lysine:octanoate ligase (AMP-forming)

Table of KEGG human pathways containing Caprylic acid

Pathway IDHuman Pathway# of reactions
hsa00061 Fatty acid biosynthesis 1