RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0149940
RefMet nameOxalic acid
Systematic nameoxalic acid
SynonymsPubChem Synonyms
Sum CompositionFA 2:1;O2 View other entries in RefMet with this sum composition
Exact mass89.995310 (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
FormulaC2H2O4View other entries in RefMet with this formula
Molecular descriptors
Molfile38125 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(=O)(C(=O)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 Oxalic 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 Oxalic acid
External Links
Pubchem CID971
ChEBI ID16995
KEGG IDC00209
HMDB IDHMDB0002329
Chemspider ID946
MetaCyc IDOXALATE
EPA CompToxDTXCID805816
Spectral data for Oxalic acid standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo