1.0 2018-06-25 21:57:34 UTC 2020-05-05 18:40:40 UTC BMDB0062195 BMDB62195 Methyl beta-D-glucopyranoside Methyl beta-galactoside, also known as galbetaome or 3-O-methyl-D-galactose, 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. Methyl beta-galactoside is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). beta-D-Galactopyranose methyl glycoside GalbetaOMe Methyl beta-D-galactopyranoside Methyl galactoside Methylgalactoside b-D-Galactopyranose methyl glycoside Β-D-galactopyranose methyl glycoside Methyl b-D-galactopyranoside Methyl β-D-galactopyranoside Methyl b-galactoside Methyl β-galactoside Methyl beta-galactoside Methyl-b-D-galactoside Methyl-β-D-galactoside beta-O-Methyl-galactopyranoside Methyl beta-galactoside, (alpha-L)-isomer beta-O-Methyl-D-galactopyranoside Methyl-beta-D-galactopyranoside Methyl-beta-galactopyranoside 3-O-Methyl-D-galactose Methyl beta-galactoside, (alpha-D)-isomer Methyl beta-galactoside, (beta-L)-isomer Methyl b-D-glucopyranoside Methyl β-D-glucopyranoside C7H14O6 194.1825 194.07903818 (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol methyl galactoside 1824-94-8 [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC)[C@]1([H])O 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 HOVAGTYPODGVJG-VOQCIKJUSA-N 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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glycosyl compounds Acetals Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds beta-D-galactoside methyl D-galactoside monosaccharide derivative logp -2.49 ALOGPS logs 0.65 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol ChemAxon average_mass 194.1825 ChemAxon mono_mass 194.07903818 ChemAxon smiles [H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC)[C@]1([H])O ChemAxon formula C7H14O6 ChemAxon 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 ChemAxon inchikey HOVAGTYPODGVJG-VOQCIKJUSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 40.67 ChemAxon polarizability 18.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 1535 Specdb::MsMs 28676 Specdb::MsMs 28677 Specdb::MsMs 28678 Specdb::MsMs 35234 Specdb::MsMs 35235 Specdb::MsMs 35236 Specdb::NmrOneD 276678 Specdb::NmrOneD 276679 Specdb::NmrOneD 276680 Specdb::NmrOneD 276681 Specdb::NmrOneD 276682 Specdb::NmrOneD 276683 Specdb::NmrOneD 276684 Specdb::NmrOneD 276685 Specdb::NmrOneD 276686 Specdb::NmrOneD 276687 Specdb::NmrOneD 276688 Specdb::NmrOneD 276689 Specdb::NmrOneD 276690 Specdb::NmrOneD 276691 Specdb::NmrOneD 276692 Specdb::NmrOneD 276693 Specdb::NmrOneD 276694 Specdb::NmrOneD 276695 Specdb::NmrOneD 276696 Specdb::NmrOneD 276697 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Milk Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 DB04046 94214 C03619 17540 Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684