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Human Metabolome Database Version 3.5

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Showing metabocard for Galactose-beta-1,4-xylose (HMDB11677)

Record Information
Version 3.5
Creation Date 2009-02-04 03:17:57 -0700
Update Date 2013-02-08 17:27:08 -0700
HMDB ID HMDB11677
Secondary Accession Numbers None
Metabolite Identification
Common Name Galactose-beta-1,4-xylose
Description Galactose-beta-1,4-xylose is a disaccharide and a likely degradation product from glycosaminoglycans (GAGs) such as heparin sulfate and condroitin sulfate. GAGs are a major component of proteoglycans, which typically consist of a core protein and negatively charged GAGs. Proteoglycans are widely expressed on the cell surface and in the extracellular matrix of various tissues and play important roles in the control of growth and differentiation. The biosynthesis of GAG is initiated by the formation of the linkage tetrasaccharide structure, GlcA1,3Gal1, 3Gal1,4Xyl1-O-Ser, which is common to heparin sulfate, dermatan sulfate and condroitin sulfate. In humans proteoglycan 1,4-galactosyltransferase I (Beta 1,4-galactosyltransferase 7) (B4GalTI) transfers galactose to protein-linked xylose to form galactose-beta-1,4-xylose, which is the disaccharide unit from which the last two galactosyl and glucuronosyl units of the tetrasaccharide unit are attached via transferases.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Galactose-b-1,4-xylose
  2. Galactose-beta-1,4-xylose
  3. Galactosyl-1,4-xylose
Chemical Formula C11H20O10
Average Molecular Weight 312.2705
Monoisotopic Molecular Weight 312.10564686
IUPAC Name (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol
Traditional IUPAC Name (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol
CAS Registry Number Not Available
SMILES OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChI Identifier InChI=1S/C11H20O10/c12-1-3-5(13)7(15)9(17)11(20-3)21-4-2-19-10(18)8(16)6(4)14/h3-18H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-,11+/m1/s1
InChI Key VCTBNHVCBSUQPG-YOUNRWHRSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Carbohydrates and Carbohydrate Conjugates
Class Disaccharides
Sub Class Dihexoses
Other Descriptors
  • Aliphatic Heteropolycyclic Compounds
Substituents
  • 1,2 Diol
  • Acetal
  • Glycosyl Compound
  • Hemiacetal
  • O Glycosyl Compound
  • Oxane
  • Primary Alcohol
  • Secondary Alcohol
Direct Parent Dihexoses
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility 587 g/L ALOGPS
LogP -2.96 ALOGPS
LogP -4.1 ChemAxon
LogS 0.27 ALOGPS
pKa (strongest acidic) 11.26 ChemAxon
pKa (strongest basic) -3 ChemAxon
Hydrogen Acceptor Count 10 ChemAxon
Hydrogen Donor Count 7 ChemAxon
Polar Surface Area 169.3 A2 ChemAxon
Rotatable Bond Count 3 ChemAxon
Refractivity 62.37 ChemAxon
Polarizability 28.9 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 0 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB028365
KNApSAcK ID Not Available
Chemspider ID Not Available
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB11677 Link_out
Metagene Link HMDB11677 Link_out
METLIN ID Not Available
PubChem Compound 53481024 Link_out
PDB ID Not Available
ChEBI ID Not Available
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available