RefMet Compound Details

MW structure25 (View MW Metabolite Database details)
RefMet namePropionic acid
Alternative nameFA 3:0
Systematic namepropanoic acid
SMILESCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 3:0 View other entries in RefMet with this sum composition
Exact mass74.036780 (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
FormulaC3H6O2View other entries in RefMet with this formula
InChIKeyXBDQKXXYIPTUBI-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID1032
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Propionic acid

Rxn IDKEGG ReactionEnzyme
R00920 ATP + Propanoate + CoA <=> ADP + Orthophosphate + Propanoyl-CoApropanoate:CoA ligase (ADP-forming)
R00928 Acetyl-CoA + Propanoate <=> Acetate + Propanoyl-CoAAcetyl-CoA:propanoate CoA-transferase
R01354 ATP + Propanoate <=> Diphosphate + PropionyladenylateATP:propanoate adenylyltransferase
R00925 ATP + Propanoate + CoA <=> AMP + Diphosphate + Propanoyl-CoAPropanoate:CoA ligase (AMP-forming)

Table of KEGG human pathways containing Propionic acid

Pathway IDHuman Pathway# of reactions
hsa01100 Metabolic pathways 3
hsa00640 Propanoate metabolism 1