1.0 2010-04-08 22:14:19 UTC 2018-05-29 01:41:46 UTC FDB019387 Lacto-N-triose II Isolated from the partial acid hydrolysates of the tetra and higher saccharides obtained from human milk; does not occur free in milk Human beta-1,3-N-acetylglucosaminyltransferase 2 (beta3GnT2) converts lacto-N-triose II into lacto-N-tetraose and lacto-N-neotetraose. (PMID:16277601) 2-Acetamido-2-deoxy-b-D-glucopyranosyl-(1->3)-b-D-galactopyranosyl-(1->4)-D-glucose 32-b-N-Acetylglucosaminyllactose Agalacto-n-neotetraose Lacto-n-triaose Lacto-N-triose II O-2-(acetylamino)-2-Deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-glucose O-2-(acetylamino)-2-Deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-delta-glucose C20H35NO16 545.489 545.195584077 N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid 75645-27-1 CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)OC2CO)C1O InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)37-17-11(27)7(3-23)35-20(15(17)31)36-16-8(4-24)33-18(32)14(30)13(16)29/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25) CRTJRHPGCOAOQC-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Carboximidic acids Hemiacetals Hydrocarbon derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carboximidic acid Carboximidic acid derivative Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Oligosaccharide Organic 1,3-dipolar compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol Solid logp -2.63 ALOGPS logs -0.34 ALOGPS solubility 2.49e+02 g/l ALOGPS melting_point Mp 201-202° logp -5.9 ChemAxon pka_strongest_acidic 5.54 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid ChemAxon average_mass 545.489 ChemAxon mono_mass 545.195584077 ChemAxon smiles CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)OC2CO)C1O ChemAxon formula C20H35NO16 ChemAxon inchi InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)37-17-11(27)7(3-23)35-20(15(17)31)36-16-8(4-24)33-18(32)14(30)13(16)29/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25) ChemAxon inchikey CRTJRHPGCOAOQC-UHFFFAOYSA-N ChemAxon polar_surface_area 281.04 ChemAxon refractivity 112.37 ChemAxon polarizability 51.28 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75708 Specdb::MsMs 75709 Specdb::MsMs 75710 Specdb::MsMs 135399 Specdb::MsMs 135400 Specdb::MsMs 135401 HMDB06592 #<Reference:0x000055ce330cf268> Beta-1,3-N-acetylglucosaminyltransferase bGnT-2 Q9NY97 bGnT-2