1.0 2010-04-08 22:14:38 UTC 2015-10-09 22:29:41 UTC FDB019860 N-Acetyllactosamine Structural unit in higher oligosaccharides present in human milk b-D-Galactosyl-1,4-N-acetyl-D-glucosamine beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosamine beta-D-Galactosyl-1,4-N-acetyl-D-glucosamine beta-delta-Galactosyl-1,4-N-acetyl-beta-delta-glucosamine beta-delta-Galactosyl-1,4-N-acetyl-delta-glucosamine D-Galactopyranosyl delta-Galactopyranosyl Galbeta1-4glcnacbeta LacNAc N-acetyl-lactosamine N-Acetyllactosamine β-D-galactosyl-1,4-N-acetyl-D-glucosamine C28H50N2O22 766.6968 766.285521294 N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)ethanimidic acid; N-[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)ethanimidic acid; N-[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid 32181-59-2 CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O InChI=1S/2C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14;1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18);2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19) DWPBOAJUXRQZDI-UHFFFAOYSA-N belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Acylaminosugars Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Acetals Acetamides Alkyl glycosides Beta-hydroxy aldehydes Disaccharides Fatty acyl glycosides of mono- and disaccharides Hemiacetals Hydrocarbon derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Acylaminosugar Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Beta-hydroxy aldehyde Carbonyl group Carboxamide group Carboxylic acid derivative Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Solid logp -2.28 ALOGPS logs -0.62 ALOGPS solubility 9.24e+01 g/l ALOGPS melting_point Mp 170-171° (168-170°) logp -4.2 ChemAxon pka_strongest_acidic 5.52 ChemAxon pka_strongest_basic 1.35 ChemAxon iupac N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)ethanimidic acid; N-[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid ChemAxon average_mass 766.6968 ChemAxon mono_mass 766.285521294 ChemAxon smiles CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O ChemAxon formula C28H50N2O22 ChemAxon inchi InChI=1S/2C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14;1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18);2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19) ChemAxon inchikey DWPBOAJUXRQZDI-UHFFFAOYSA-N ChemAxon polar_surface_area 201.89 ChemAxon refractivity 79.96 ChemAxon polarizability 36.37 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB01542 16153 #<Reference:0x000055ce31ebd818> #<Reference:0x000055ce31ebd660> #<Reference:0x000055ce31ebd4a8> #<Reference:0x000055ce31ebd2f0> #<Reference:0x000055ce31ebd138> #<Reference:0x000055ce31ebcf80> #<Reference:0x000055ce31ebcdc8> #<Reference:0x000055ce31ebcbe8> #<Reference:0x000055ce31ebca30> #<Reference:0x000055ce31ebc878> #<Reference:0x000055ce31ebc6c0> #<Reference:0x000055ce31ebc508> #<Reference:0x000055ce31ebc350> 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 Carbohydrate sulfotransferase 1 O43916 CHST1 Carbohydrate sulfotransferase 3 Q7LGC8 CHST3 Carbohydrate sulfotransferase 7 Q9NS84 CHST7