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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:15:55 UTC
Update Date2022-03-07 02:56:19 UTC
HMDB IDHMDB0039726
Secondary Accession Numbers
  • HMDB39726
Metabolite Identification
Common Name3-O-beta-D-Galactopyranuronosyl-D-galactose
Description3-O-beta-D-Galactopyranuronosyl-D-galactose belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. 3-O-beta-D-Galactopyranuronosyl-D-galactose has been detected, but not quantified in, fruits. This could make 3-O-beta-D-galactopyranuronosyl-D-galactose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3-O-beta-D-Galactopyranuronosyl-D-galactose.
Structure
Thumb
Synonyms
ValueSource
3-O-b-D-Galactopyranuronosyl-D-galactoseGenerator
3-O-Β-D-galactopyranuronosyl-D-galactoseGenerator
3,4,5-Trihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylateHMDB
Chemical FormulaC12H20O12
Average Molecular Weight356.28
Monoisotopic Molecular Weight356.095476104
IUPAC Name3,4,5-trihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acid
Traditional Name3,4,5-trihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acid
CAS Registry Number7268-75-9
SMILES
OCC1OC(O)C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)C1O
InChI Identifier
InChI=1S/C12H20O12/c13-1-2-3(14)8(7(18)11(21)22-2)23-12-6(17)4(15)5(16)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)
InChI KeyGGFHJVYVXSKMOX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glucuronides
Alternative Parents
Substituents
  • 1-o-glucuronide
  • O-glucuronide
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyran
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Acetal
  • Oxacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB019365
KNApSAcK IDNot Available
Chemspider ID78443888
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13915951
PDB IDNot Available
ChEBI ID175568
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .