RefMet Compound Details

MW structure30 (View MW Metabolite Database details)
RefMet nameCaprylic acid
Alternative nameFA 8:0
Systematic nameoctanoic acid
SMILESCCCCCCCC(O)=O
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
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
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)
Human quantitationView measurements in targeted assays on human samples

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
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