RefMet Compound Details

MW structure1964 (View MW Metabolite Database details)
RefMet nameMalonic acid
Systematic namePropanedioic acid
SMILESO=C(O)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 3:1;O2 View other entries in RefMet with this sum composition
Exact mass104.010960 (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
FormulaC3H4O4View other entries in RefMet with this formula
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID867
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Malonic acid

Rxn IDKEGG ReactionEnzyme
R12300 ATP + Malonate + CoA <=> AMP + Diphosphate + Malonyl-CoAmalonate:CoA ligase (AMP-forming)

Table of KEGG human pathways containing Malonic acid

Pathway IDHuman Pathway# of reactions
hsa00061 Fatty acid biosynthesis 1
hsa01212 Fatty acid metabolism 1