RefMet Compound Details

MW structure24 (View MW Metabolite Database details)
RefMet nameAcetic acid
Alternative nameFA 2:0
Systematic nameethanoic acid
SMILESCC(O)=O
Sum CompositionAcetic acid View other entries in RefMet with this sum composition
Exact mass60.021130 (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
FormulaC2H4O2View other entries in RefMet with this formula
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID176
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 Acetic acid

Rxn IDKEGG ReactionEnzyme
R00316 ATP + Acetate <=> Diphosphate + Acetyl adenylateATP:acetate adenylyltransferase
R00227 Acetyl-CoA + H2O <=> CoA + AcetateAcetyl-CoA hydrolase
R00315 ATP + Acetate <=> ADP + Acetyl phosphateATP:acetate phosphotransferase
R00710 Acetaldehyde + NAD+ + H2O <=> Acetate + NADH + H+Acetaldehyde:NAD+ oxidoreductase
R00928 Acetyl-CoA + Propanoate <=> Acetate + Propanoyl-CoAAcetyl-CoA:propanoate CoA-transferase
R00229 ATP + Acetate + CoA <=> ADP + Acetyl-CoA + Orthophosphateacetate:CoA ligase (ADP-forming)
R00320 Diphosphate + Acetate <=> Orthophosphate + Acetyl phosphatediphosphate:acetate phosphotransferase
R00317 Acetyl phosphate + H2O <=> Acetate + OrthophosphateAcetyl phosphate phosphohydrolase
R00711 Acetaldehyde + NADP+ + H2O <=> Acetate + NADPH + H+Acetaldehyde:NADP+ oxidoreductase
R10343 Succinyl-CoA + Acetate <=> Acetyl-CoA + Succinatesuccinyl-CoA:acetate CoA-transferase
R00235 ATP + Acetate + CoA <=> AMP + Diphosphate + Acetyl-CoAAcetate:CoA ligase (AMP-forming)

Table of KEGG human pathways containing Acetic acid

Pathway IDHuman Pathway# of reactions
hsa00620 Pyruvate metabolism 4
hsa00010 Glycolysis / Gluconeogenesis 3
hsa00630 Glyoxylate and dicarboxylate metabolism 1
hsa01200 Carbon metabolism 1
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