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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2007-04-12 14:58:51 UTC
Update Date2020-03-03 17:14:57 UTC
HMDB IDHMDB0005826
Secondary Accession Numbers
  • HMDB05826
Metabolite Identification
Common NameGalactinol
DescriptionGalactinol belongs to the class of organic compounds known as O-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via an O-glycosidic bond. Galactinol is an extremely weak basic (essentially neutral) compound (based on its pKa). Galactinol is an intermediate in galactose metabolism. Galactinol is the fourth-to-last step in the synthesis of D-galactose and the third-to-last step in the synthesis of D-glucose and D-fructose. Galactinol is converted from UDP-galactose via the enzyme inositol 3-alpha-galactosyltransferase (EC 2.4.1.123). It is then converted into raffinose via the enzyme raffinose synthase (EC 2.4.1.82).
Structure
Data?1583255697
Synonyms
ValueSource
1-alpha-D-Galactosyl-myo-inositolChEBI
1-O-alpha-D-Galactosyl-D-myo-inositolChEBI
3-O-alpha-D-Galactosyl-1D-myo-inositolChEBI
GalactinolChEBI
O-alpha-D-Galactosyl-(1->3)-1D-myo-inositolChEBI
1-a-D-Galactosyl-myo-inositolGenerator
1-α-D-galactosyl-myo-inositolGenerator
a-D-Galactosyl-(1->3)-1D-myo-inositolGenerator
α-D-galactosyl-(1->3)-1D-myo-inositolGenerator
1-O-a-D-Galactosyl-D-myo-inositolGenerator
1-O-α-D-Galactosyl-D-myo-inositolGenerator
3-O-a-D-Galactosyl-1D-myo-inositolGenerator
3-O-α-D-Galactosyl-1D-myo-inositolGenerator
O-a-D-Galactosyl-(1->3)-1D-myo-inositolGenerator
O-α-D-Galactosyl-(1->3)-1D-myo-inositolGenerator
3-O-alpha-D-Galactopyranosyl-D-myo-inositolHMDB
3-O-α-D-Galactopyranosyl-D-myo-inositolHMDB
Chemical FormulaC12H22O11
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
IUPAC Name(1S,2R,3R,4S,5S,6R)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
Traditional Name(1S,2R,3R,4S,5S,6R)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
CAS Registry Number3687-64-7
SMILES
[H][C@]1(O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7+,8+,9+,10-,11-,12-/m1/s1
InChI KeyVCWMRQDBPZKXKG-DXNLKLAMSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Cyclohexanol
  • Oxane
  • Monosaccharide
  • Cyclitol or derivatives
  • Cyclic alcohol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Process

Naturally occurring process:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility490 g/LALOGPS
logP-2.4ALOGPS
logP-5.6ChemAxon
logS0.16ALOGPS
pKa (Strongest Acidic)11.98ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area200.53 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity68.19 m³·mol⁻¹ChemAxon
Polarizability31.35 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001l-0905000000-bc53a6d03ab9d8b02baaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-7bbed0664c521fb4270eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03e9-2900000000-f1a9e6f3f3bafcf97d45Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-002f-1819000000-cde5898087ea6deed212Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-1901000000-eafd7d1c6bedd75ea49bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-8900000000-50532db99265ea7eb896Spectrum
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 IDFDB001147
KNApSAcK IDC00001162
Chemspider ID19402461
KEGG Compound IDC01235
BioCyc IDCPD-458
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound381832774
PDB IDNot Available
ChEBI ID17505
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
GLA
Uniprot ID:
P06280
Molecular weight:
Not Available
Reactions
Galactinol + Water → myo-Inositol + Beta-D-Galactosedetails