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Record Information
Version	2.0
Creation Date	2012-07-30 14:55:32 -0600
Update Date	2015-06-03 17:21:17 -0600
Secondary Accession Numbers	ECMDB21382
Identification
Name:	Methyl-beta-D-galactoside
Description	Methyl-beta-D-galactoside is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose. Methyl galactoside is involved in the metabolism of 2-deoxygalactose. By using appropriate mutants it was shown that 2-deoxygalactose is a much better substrate for the galactose-transport system than for the methyl galactoside-transport system. (PMID 23115)
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xae5436f8> Close
Synonyms:	β-methyl-D-galactoside B-Methyl-D-galactoside Beta-Methyl-D-galactoside Methyl β-D-galactopyranoside Methyl b-D-galactopyranoside Methyl beta-D-galactopyranoside Methyl β-D-galactopyranoside Methyl-b-D-galactoside Methyl-β-D-galactoside β-Methyl-D-galactoside
Chemical Formula:	C7H14O6
Weight:	Average: 194.1825 Monoisotopic: 194.07903818
InChI Key:	HOVAGTYPODGVJG-VOQCIKJUSA-N
InChI:	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
CAS number:	Not Available
IUPAC Name:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
Traditional IUPAC Name:	methyl galactoside
SMILES:	CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
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.
Kingdom	Organic compounds
Super Class	Organic oxygen compounds
Class	Organooxygen compounds
Sub Class	Carbohydrates and carbohydrate conjugates
Direct Parent	O-glycosyl compounds
Alternative Parents	Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
Substituents	O-glycosyl compound Oxane Monosaccharide Secondary alcohol Oxacycle Organoheterocyclic compound Polyol Acetal Hydrocarbon derivative Primary alcohol Alcohol Aliphatic heteromonocyclic compound
Molecular Framework	Aliphatic heteromonocyclic compounds
External Descriptors	monosaccharide derivative (CHEBI:17540 ) beta-D-galactoside (CHEBI:17540 ) methyl D-galactoside (CHEBI:17540 )
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 862 g/L ALOGPS logP -2.5 ALOGPS logP -2.3 ChemAxon logS 0.65 ALOGPS pKa (Strongest Acidic) 12.21 ChemAxon pKa (Strongest Basic) -3 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 99.38 Ų ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 40.67 m³·mol⁻¹ ChemAxon Polarizability 18.38 ų ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key GC-MS GC-MS Spectrum - GC-MS (4 TMS) splash10-0ue9-1980000000-f85f2b643334aeddd3a5 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-002b-0900000000-e857ad38620167398499 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-004j-3900000000-72598960d60412f0f056 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0btd-9300000000-61f6e6dd66385e4c3845 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0006-1900000000-6c0b4ecf5c8009ef4282 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0096-6900000000-196e3ebd8371553bafba View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-006x-9100000000-47c83236e172e9d82eac View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Henderson, P. J., Giddens, R. A. (1977). "2-Deoxy-D-galactose, a substrate for the galactose-transport system of Escherichia coli." Biochem J 168:15-22. Pubmed: 23115
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 17540 HMDB ID Not Available Pubchem Compound ID 94214 Kegg ID C03619 ChemSpider ID 85024 Wikipedia ID Not Available BioCyc ID METHYL-BETA-D-GALACTOSIDE EcoCyc ID METHYL-BETA-D-GALACTOSIDE Ligand Expo MGA

Enzymes

Transporters