RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0155953
RefMet nameGalacturonic acid
Systematic name(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
SynonymsPubChem Synonyms
Exact mass194.042655 (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
FormulaC6H10O7View other entries in RefMet with this formula
Molecular descriptors
Molfile38176 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
InChIKeyIAJILQKETJEXLJ-RSJOWCBRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar acids
Distribution of Galacturonic 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 Galacturonic acid
External Links
Pubchem CID84740
ChEBI ID47962
KEGG IDC08348
HMDB IDHMDB0002545
Chemspider ID76444
Spectral data for Galacturonic 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)
  logo