1.0 2011-09-21 00:39:33 UTC 2017-04-03 05:02:16 UTC FDB024080 Melibiitol Melibitol is involved in galactose metabolism. D-galactose and D-sorbitol are combined to form melibitol through the action of alpha-galactosidase [EC:3.2.1.22]. It is a reversible reaction. [HMDB] 6-O-(D-gluco-2,3,4,5,6-Pentahydroxyhexyl)-a-D-galactopyranose 6-O-(D-gluco-2,3,4,5,6-Pentahydroxyhexyl)-alpha-D-galactopyranose 6-O-(D-gluco-2,3,4,5,6-Pentahydroxyhexyl)-α-D-galactopyranose 6-O-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-a-D-galactopyranose 6-O-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-alpha-D-galactopyranose 6-O-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-α-D-galactopyranose 6-O-a-D-Galactosyl-D-glucitol 6-O-alpha-D-Galactosyl-D-glucitol 6-O-alpha-delta-Galactosyl-delta-glucitol 6-O-α-D-galactosyl-D-glucitol C12H24O11 344.3124 344.13186161 (2R,3R,4R,5S)-6-{[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}hexane-1,2,3,4,5-pentol melibiitol 302-72-7 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1 PYZZIILDSAJNLZ-QZNPSGCDSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Alkyl glycosides Dialkyl ethers Fatty alcohols Hemiacetals Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sugar alcohols Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Dialkyl ether Ether Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Hemiacetal Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sugar alcohol alditol Solid logp -3.08 ALOGPS logs -0.10 ALOGPS solubility 2.73e+02 g/l ALOGPS logp -5.5 ChemAxon pka_strongest_acidic 11.28 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (2R,3R,4R,5S)-6-{[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}hexane-1,2,3,4,5-pentol ChemAxon average_mass 344.3124 ChemAxon mono_mass 344.13186161 ChemAxon smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C12H24O11 ChemAxon inchi InChI=1S/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1 ChemAxon inchikey PYZZIILDSAJNLZ-QZNPSGCDSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 70.82 ChemAxon polarizability 32.43 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Galactose Metabolism SMP00043 map00052 Specdb::CMs 19494 Specdb::CMs 39088 Specdb::CMs 134628 Specdb::CMs 142362 Specdb::NmrOneD 91392 Specdb::NmrOneD 91393 Specdb::NmrOneD 91394 Specdb::NmrOneD 91395 Specdb::NmrOneD 91396 Specdb::NmrOneD 91397 Specdb::NmrOneD 91398 Specdb::NmrOneD 91399 Specdb::NmrOneD 91400 Specdb::NmrOneD 91401 Specdb::NmrOneD 91402 Specdb::NmrOneD 91403 Specdb::NmrOneD 91404 Specdb::NmrOneD 91405 Specdb::NmrOneD 91406 Specdb::NmrOneD 91407 Specdb::NmrOneD 91408 Specdb::NmrOneD 91409 Specdb::NmrOneD 91410 Specdb::NmrOneD 91411 Specdb::MsMs 309343 Specdb::MsMs 309344 Specdb::MsMs 309345 Specdb::MsMs 353752 Specdb::MsMs 353753 Specdb::MsMs 353754 Specdb::MsMs 2758389 Specdb::MsMs 2758390 Specdb::MsMs 2758391 Specdb::MsMs 2950371 Specdb::MsMs 2950372 Specdb::MsMs 2950373 HMDB06791 27527 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Alpha-galactosidase A P06280 GLA Glycophorin-B P06028 GYPB