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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2007-04-12 14:58:51 UTC
Update Date2017-10-23 19:04:18 UTC
HMDB IDHMDB0005826
Secondary Accession Numbers
  • HMDB05826
Metabolite Identification
Common NameGalactinol
DescriptionGalactinol is an intermediate in galactose metabolism. Galactinol is the. 4th to last step in the synthesis of D-Galactose and the 3rd 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 to raffinose via the enzyme raffinose synthase (EC 2.4.1.82).
Structure
Thumb
Synonyms
ValueSource
1-alpha-D-Galactosyl-myo-inositolHMDB
1-alpha-delta-Galactosyl-myo-inositolHMDB
1-O-alpha-D-Galactosyl-D-myo-inositolHMDB
1-O-alpha-delta-Galactosyl-delta-myo-inositolHMDB
6 beta-GalactinolMeSH
Galactinol dihydrateMeSH
1-O-(alpha-D-Galactopyranosyl)-myo-inositol dihydrateMeSH
Chemical FormulaC12H22O11
Average Molecular Weight342.2965
Monoisotopic Molecular Weight342.116211546
IUPAC Name(1R,2R,4S,5R)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
Traditional Namegalactinol
CAS Registry NumberNot Available
SMILES
OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[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-SPBUTQSFSA-N
Chemical Taxonomy
DescriptionThis compound 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 DescriptorsNot Available
Ontology
Process

Naturally occurring process:

  Biological process:

    Biochemical pathway:

Disposition

Source:

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-2.5ALOGPS
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
Polarizability31.12 ųChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0udi-0971000000-ac5f985abe605d6084beView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0v01-0940000000-2e534ad487b1ef13f595View in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0udi-0970000000-d3bcfb3efd5053b38d48View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ik9-5967000000-17b9d05f3095d9ac55d6View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positivesplash10-014i-2331129000-72515be2454ee19dd9bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001l-0905000000-bc53a6d03ab9d8b02baaView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0900000000-7bbed0664c521fb4270eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03e9-2900000000-f1a9e6f3f3bafcf97d45View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-002f-1819000000-cde5898087ea6deed212View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-1901000000-eafd7d1c6bedd75ea49bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-8900000000-50532db99265ea7eb896View in MoNA
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
Pathways
NameSMPDB/PathwhizKEGG
Galactose MetabolismPw000159Pw000159 greyscalePw000159 simpleMap00052
GalactosemiaPw000200Pw000200 greyscalePw000200 simpleNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB001147
KNApSAcK IDC00001162
Chemspider ID388558
KEGG Compound IDC01235
BioCyc IDCPD-458
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439451
PDB IDNot Available
ChEBI ID17505
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