1.0 2011-04-08 19:42:39 UTC 2019-11-26 03:20:53 UTC FDB021795 3'-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>3')-a-sialyllactose (2>3')-alpha-sialyllactose 3'-(N-Acetyl-a-neuraminosyl)lactose 3'-(N-Acetyl-alpha-neuraminosyl)lactose 3'-a-Sialyllactose 3'-alpha-Sialyllactose 3'-Monosialyllactose 3'-N-Acetylneuraminyl-D-lactose 3'-N-Acetylneuraminyl-delta-lactose 3'-Sialyl-D-lactose 3'-Sialyl-delta-lactose 32-N-Acetyl-a-neuraminyllactose 32-N-Acetyl-alpha-neuraminyllactose a-Neu5ac-(2>3)-b-D-gal-(1>4)-D-glc a2,3-Sialyllactose alpha-Neu5ac-(2>3)-beta-D-gal-(1>4)-D-glc alpha-Neu5ac-(2>3)-beta-delta-gal-(1>4)-delta-glc N-Acetylneuraminoyllactose C23H39NO19 633.5511 633.211628071 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid 35890-38-1 CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(O)=O InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38) CILYIEBUXJIHCO-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 Hemiacetals Hydrocarbon derivatives Ketals Monocarboxylic acids and derivatives Neuraminic acids O-glycosyl compounds Oligosaccharides 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 Glycosyl compound Hemiacetal Hydrocarbon derivative Ketal Monocarboxylic acid or derivatives N-acylneuraminic acid Neuraminic acid O-glycosyl compound Oligosaccharide 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 -2.73 ALOGPS logs -0.57 ALOGPS solubility 1.70e+02 g/l ALOGPS logp -6.7 ChemAxon pka_strongest_acidic 2.88 ChemAxon pka_strongest_basic 1.97 ChemAxon iupac 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-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(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(O)=O ChemAxon formula C23H39NO19 ChemAxon inchi InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38) ChemAxon inchikey CILYIEBUXJIHCO-UHFFFAOYSA-N ChemAxon polar_surface_area 338.57 ChemAxon refractivity 129.13 ChemAxon polarizability 59.08 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 20 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB00825 #<Reference:0x000055ce31d06f60> #<Reference:0x000055ce31d06d80> #<Reference:0x000055ce31d06bc8> #<Reference:0x000055ce31d06998> #<Reference:0x000055ce31d067b8> #<Reference:0x000055ce31d06600> #<Reference:0x000055ce31d06420> #<Reference:0x000055ce31d06218> #<Reference:0x000055ce31d06060> #<Reference:0x000055ce31d05e80> #<Reference:0x000055ce31d05c78> #<Reference:0x000055ce31d05ac0> #<Reference:0x000055ce31d058e0> 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 599.399 1131.716 67.082 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