2.02012-07-30 14:55:31 -06002015-06-03 17:21:16 -0600ECMDB21378M2MDB001774ThiomethylgalactosideThiomethylgalactoside belongs to the class of Hexoses. These are monosaccharides in which the sugar unit is a hexose. (inferred from compound structure)(3R,5R,6S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol(3R,5R,6S)-2-(Hydroxymethyl)-6-methylsulphanyloxane-3,4,5-triolC7H14O5S210.248210.056194248(3R,5R,6S)-2-(hydroxymethyl)-6-(methylsulfanyl)oxane-3,4,5-triol(3R,5R,6S)-2-(hydroxymethyl)-6-(methylsulfanyl)oxane-3,4,5-triol155-30-6[H]OC([H])([H])C1([H])O[C@@]([H])(SC([H])([H])[H])[C@]([H])(O[H])C([H])(O[H])[C@@]1([H])O[H]InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3?,4-,5?,6+,7-/m0/s1LZFNFLTVAMOOPJ-XMAYFYEJSA-NCytoplasmlogp-2.06logs0.18solubility3.16e+02 g/llogp-1.6pka_strongest_acidic12.48pka_strongest_basic-3iupac(3R,5R,6S)-2-(hydroxymethyl)-6-(methylsulfanyl)oxane-3,4,5-triolaverage_mass210.248mono_mass210.056194248smiles[H]OC([H])([H])C1([H])O[C@@]([H])(SC([H])([H])[H])[C@]([H])(O[H])C([H])(O[H])[C@@]1([H])O[H]formulaC7H14O5SinchiInChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3?,4-,5?,6+,7-/m0/s1inchikeyLZFNFLTVAMOOPJ-XMAYFYEJSA-Npolar_surface_area90.15refractivity46.79polarizability20.13rotatable_bond_count2acceptor_count5donor_count4physiological_charge0formal_charge0Specdb::CMs1086671Specdb::EiMs4317Specdb::NmrOneD282019Specdb::NmrOneD282020Specdb::NmrOneD282021Specdb::NmrOneD282022Specdb::NmrOneD282023Specdb::NmrOneD282024Specdb::NmrOneD282025Specdb::NmrOneD282026Specdb::NmrOneD282027Specdb::NmrOneD282028Specdb::NmrOneD282029Specdb::NmrOneD282030Specdb::NmrOneD282031Specdb::NmrOneD282032Specdb::NmrOneD282033Specdb::NmrOneD282034Specdb::NmrOneD282035Specdb::NmrOneD282036Specdb::NmrOneD282037Specdb::NmrOneD282038Specdb::MsMs28301Specdb::MsMs28302Specdb::MsMs28303Specdb::MsMs34859Specdb::MsMs34860Specdb::MsMs348619210283151Melibiose carrier proteinP02921MELB_ECOLImelBhttp://ecmdb.ca/proteins/P02921.xml