RefMet Compound Details

MW structure26 (View MW Metabolite Database details)
RefMet nameButyric acid
Alternative nameFA 4:0
Systematic nameButanoic acid
SMILESCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 4:0 View other entries in RefMet with this sum composition
Exact mass88.052430 (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
FormulaC4H8O2View other entries in RefMet with this formula
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID264
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Butyric acid

Rxn IDKEGG ReactionEnzyme
R01176 ATP + Butanoic acid + CoA <=> AMP + Diphosphate + Butanoyl-CoAButanoate:CoA ligase (AMP-forming)
R01179 Butanoyl-CoA + Acetate <=> Butanoic acid + Acetyl-CoAbutanoyl-CoA:acetate CoA-transferase

Table of KEGG human pathways containing Butyric acid

Pathway IDHuman Pathway# of reactions
hsa00650 Butanoate metabolism 1
hsa01100 Metabolic pathways 1