1.0 2011-04-08 19:45:57 UTC 2019-11-26 03:20:53 UTC FDB021796 6'-Sialyllactose Sialyllactose is an oligossaccharide found in both human breast milk and cow's milk. It is the predominant sialylated component in milk. Sialyllactose has recently been shown to inhibit the infection of HIV-1 virus. Sialyllactose is also responsible for the inhibitory activity of milk on cholera toxin. [HMDB] (2>6')-a-sialyllactose (2>6')-alpha-sialyllactose (2>6')-sialyllactose 6'-a-Sialyllactose 6'-alpha-Sialyllactose 6'-Monosialyllactose O-(N-Acetyl-alpha-neuraminosyl)-(2-3)-O-beta-D-galactopyranosyl-(1-4)-D-glucose O-(N-Acetyl-alpha-neuraminosyl)-(2-3)-O-beta-delta-galactopyranosyl-(1-4)-delta-glucose C23H39NO19 633.5511 633.211628071 4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-[(3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid 4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-[(3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid 35890-39-2 CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2O)(OC1C(O)C(O)CO)C(O)=O InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38) TYALNJQZQRNQNQ-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent. N-acylneuraminic acids Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetamides C-glucuronides C-glycosyl compounds Carbonyl compounds Carboxylic acids Disaccharides Hemiacetals Hydrocarbon derivatives Ketals Monocarboxylic acids and derivatives Neuraminic acids O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound C-glucuronide C-glycosyl compound Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative Ketal Monocarboxylic acid or derivatives N-acylneuraminic acid Neuraminic acid O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Secondary carboxylic acid amide Solid logp -2.81 ALOGPS logs -0.66 ALOGPS solubility 1.40e+02 g/l ALOGPS logp -6.7 ChemAxon pka_strongest_acidic 2.93 ChemAxon pka_strongest_basic 1.97 ChemAxon iupac 4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-[(3,4,5-trihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid ChemAxon average_mass 633.5511 ChemAxon mono_mass 633.211628071 ChemAxon smiles CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2O)(OC1C(O)C(O)CO)C(O)=O ChemAxon formula C23H39NO19 ChemAxon inchi InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38) ChemAxon inchikey TYALNJQZQRNQNQ-UHFFFAOYSA-N ChemAxon polar_surface_area 338.57 ChemAxon refractivity 129.13 ChemAxon polarizability 58.94 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 20 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 949276 Specdb::CMs 949277 Specdb::CMs 949278 Specdb::CMs 949279 Specdb::CMs 949280 Specdb::CMs 949281 Specdb::CMs 949282 Specdb::CMs 949283 Specdb::CMs 949284 Specdb::CMs 949285 Specdb::CMs 949286 Specdb::CMs 949287 Specdb::CMs 949288 Specdb::CMs 949289 Specdb::CMs 949290 Specdb::CMs 949291 Specdb::CMs 949292 Specdb::CMs 949293 Specdb::CMs 949294 Specdb::CMs 949295 Specdb::CMs 949296 Specdb::CMs 949297 Specdb::CMs 949298 Specdb::CMs 949299 Specdb::CMs 949300 Specdb::NmrOneD 227057 Specdb::NmrOneD 227058 Specdb::NmrOneD 227059 Specdb::NmrOneD 227060 Specdb::NmrOneD 227061 Specdb::NmrOneD 227062 Specdb::NmrOneD 227063 Specdb::NmrOneD 227064 Specdb::NmrOneD 227065 Specdb::NmrOneD 227066 Specdb::NmrOneD 227067 Specdb::NmrOneD 227068 Specdb::NmrOneD 227069 Specdb::NmrOneD 227070 Specdb::NmrOneD 227071 Specdb::NmrOneD 227072 Specdb::NmrOneD 227073 Specdb::NmrOneD 227074 Specdb::NmrOneD 227075 Specdb::NmrOneD 227076 HMDB06569 #<Reference:0x000055ce324b7520> #<Reference:0x000055ce324b7340> #<Reference:0x000055ce324b7188> #<Reference:0x000055ce324b6f80> #<Reference:0x000055ce324b6da0> #<Reference:0x000055ce324b6be8> #<Reference:0x000055ce324b6a30> #<Reference:0x000055ce324b6238> #<Reference:0x000055ce324b6008> #<Reference:0x000055ce324b5bf8> #<Reference:0x000055ce324b59f0> #<Reference:0x000055ce324b57c0> #<Reference:0x000055ce324b55b8> 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 Milk (Cow) Type 2 specific 30778.8955 30778.8955 30778.8955 uM 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