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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:23:00 UTC
Update Date2022-03-07 03:17:45 UTC
HMDB IDHMDB0060468
Secondary Accession Numbers
  • HMDB60468
Metabolite Identification
Common NameD-Gal alpha 1->6D-Gal alpha 1->6D-Glucose
DescriptionD-Gal alpha 1->6D-Gal alpha 1->6D-Glucose, also known as manninotriose or D-gal-a1->6d-gal-a1->6d-glucose, belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose has been detected, but not quantified in, several different foods, such as cocoa and cocoa products, cocoa beans, common hazelnuts, nuts, and potato. This could make D-gal alpha 1->6d-gal alpha 1->6d-glucose a potential biomarker for the consumption of these foods. These are trisaccharides containing three hexose carbohydrates.
Structure
Thumb
Synonyms
ValueSource
D-Gal-alpha1->6d-gal-alpha1->6d-glucoseKegg
ManninotrioseKegg
D-Gal-a1->6d-gal-a1->6d-glucoseGenerator
D-Gal-α1->6d-gal-α1->6d-glucoseGenerator
D-Gal a 1->6d-gal a 1->6d-glucoseGenerator
D-Gal α 1->6d-gal α 1->6d-glucoseGenerator
Chemical FormulaC18H32O16
Average Molecular Weight504.4371
Monoisotopic Molecular Weight504.169034976
IUPAC Name(3R,4S,5S,6R)-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
Traditional Name(3R,4S,5S,6R)-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
CAS Registry NumberNot Available
SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1
InChI KeyFBJQEBRMDXPWNX-SMGIPPFUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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 IDFDB019338
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC05404
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440660
PDB IDNot Available
ChEBI IDNot Available
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. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
GLA
Uniprot ID:
P06280
Molecular weight:
Not Available
Reactions
D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose + Water → beta-D-Galactose + Melibiosedetails