RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0140093
RefMet nameDimethylmalonic acid
Systematic name2,2-dimethyl-propanedioic acid
SynonymsPubChem Synonyms
Sum CompositionFA 5:1;O2 View other entries in RefMet with this sum composition
Exact mass132.042260 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H8O4View other entries in RefMet with this formula
Molecular descriptors
Molfile2020 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKeyOREAFAJWWJHCOT-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)(C(=O)O)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Distribution of Dimethylmalonic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Dimethylmalonic acid
External Links
Pubchem CID11686
LIPID MAPSLMFA01170103
ChEBI ID111517
HMDB IDHMDB0002001
Chemspider ID11195
Spectral data for Dimethylmalonic acid standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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