RefMet Compound Details

MW structure1964 (View MW Metabolite Database details)
RefMet nameMalonic acid
Systematic namePropanedioic acid
SMILESOC(=O)CC(O)=O
Sum CompositionMalonic acid 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
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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
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