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Galactan (M2MDB002047)

Record Information
Version2.0
Creation Date2012-08-15 08:51:33 -0600
Update Date2015-09-13 12:56:17 -0600
Secondary Accession Numbers
  • ECMDB21653
Identification
Name:Galactan
DescriptionGalactan is a beta-glucan consisting of polymerized galactose. Beta -glucans are glucose polymers found in the cell walls of plants, fungi, and bacteria and as conserved structures can be considered to be classical pathogen-associated molecular patterns.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Galactan
  • Galactans
Chemical Formula:C20H36O16
Weight:Average: 532.4902
Monoisotopic: 532.200335104
InChI Key:HYRUXGRHTJRKNG-IESUNRGTSA-N
InChI:InChI=1S/C20H36O16/c1-30-15-6(3-21)33-19(13(28)9(15)24)36-17-8(5-23)34-20(14(29)11(17)26)35-16-7(4-22)32-18(31-2)12(27)10(16)25/h6-29H,3-5H2,1-2H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-,16+,17-,18-,19+,20+/m0/s1
CAS number:39300-87-3
IUPAC Name:(2S,3R,4S,5S,6S)-5-{[(2R,3R,4S,5R,6S)-5-{[(2R,3R,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
Traditional IUPAC Name:(2S,3R,4S,5S,6S)-5-{[(2R,3R,4S,5R,6S)-5-{[(2R,3R,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILES:[H][C@@]1(O)[C@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@@]([H])(CO)[C@]([H])(OC)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O)[C@@]2([H])O)[C@]([H])(CO)O[C@]1([H])OC
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
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Dialkyl ether
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
State:Solid
Charge:0
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility340 g/LALOGPS
logP-2.6ALOGPS
logP-5.2ChemAxon
logS-0.19ALOGPS
pKa (Strongest Acidic)11.8ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area246.68 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity110.25 m³·mol⁻¹ChemAxon
Polarizability50.79 ųChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Galactan + Water <> D-Galactose + Galactan
Galactan + Water <> D-Galactose + Galactan
SMPDB Pathways:Not Available
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-05p2-0906050000-c75fabac076e1327c388View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-002k-0903000000-0e461a0d65653402c0a8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-002b-1901000000-f794682217c8322a6a97View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-06sl-1916180000-b0e8ecf7204e0b7fb8f1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-002f-1913010000-79d532a0a4f61d5e2ea2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-3911000000-04f96a28db8a6f693419View in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Download (PDF)
External Links:
ResourceLink
CHEBI ID37165
HMDB IDHMDB04162
Pubchem Compound ID20758205
Kegg IDC05796
ChemSpider IDNot Available
WikipediaGalactan
BioCyc IDNot Available

Enzymes

Protein Details
1. Beta-galactosidase
General function:
Involved in beta-galactosidase activity
Specific function:
Hydrolysis of terminal non-reducing beta-D- galactose residues in beta-D-galactosides
Gene Name:
lacZ
Uniprot ID:
P00722
Molecular weight:
116482
Reactions
Hydrolysis of terminal non-reducing beta-D-galactose residues in beta-D-galactosides.
Protein Details
2. Beta-galactosidase
General function:
carbohydrate metabolic process
Specific function:
Not Available
Gene Name:
lacZ
Uniprot ID:
G0ZKW2
Molecular weight:
116482
Reactions
=