RefMet Compound Details

MW structure2030 (View MW Metabolite Database details)
RefMet nameMethylmalonic acid
Systematic name2-methyl-propanedioic acid
SMILESCC(C(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 4:1;O2 View other entries in RefMet with this sum composition
Exact mass118.026610 (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
FormulaC4H6O4View other entries in RefMet with this formula
InChIKeyZIYVHBGGAOATLY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID487
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Methylmalonic acid

Rxn IDKEGG ReactionEnzyme
R03872 Methylmalonate <=> (S)-Methylmalonate semialdehydeMethylmalonate <=> (S)-Methylmalonate semialdehyde
R03869 (S)-Methylmalonate semialdehyde + NAD+ + H2O <=> Methylmalonate + NADH + H+(S)-Methylmalonate semialdehyde:NAD+ oxidoreductase
R03383 Methylmalonate + CoA + ATP <=> (R)-Methylmalonyl-CoA + AMP + Diphosphatemethylmalonate:CoA ligase (AMP-forming)
R03871 Methylmalonate + Hydrogen peroxide <=> (S)-Methylmalonate semialdehyde + Oxygen + H2O(S)-Methylmalonate semialdehyde:oxygen oxidoreductase

Table of KEGG human pathways containing Methylmalonic acid

Pathway IDHuman Pathway# of reactions
hsa00280 Valine, leucine and isoleucine degradation 3
hsa01100 Metabolic pathways 1