1.0 2016-09-30 23:23:27 UTC 2020-04-22 15:17:53 UTC BMDB0006566 BMDB06566 Lacto-N-tetraose beta-D-Gal-(1->3)-beta-D-glcnac-(1->3)-beta-D-gal-(1->4)-beta-D-GLC beta-D-Galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucose Galb1-3glcnacb1-3galb1-4GLCB Galbeta1-3glcnacbeta1-3galbeta1-4glcbeta WURCS=2.0/3,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*ncc/3=o]/1-2-3-2/a4-b1_b3-c1_c3-D1 b-D-Gal-(1->3)-b-D-glcnac-(1->3)-b-D-gal-(1->4)-b-D-GLC Β-D-gal-(1->3)-β-D-glcnac-(1->3)-β-D-gal-(1->4)-β-D-GLC b-D-Galactosyl-(1->3)-N-acetyl-b-D-glucosaminyl-(1->3)-b-D-galactosyl-(1->4)-b-D-glucose Β-D-galactosyl-(1->3)-N-acetyl-β-D-glucosaminyl-(1->3)-β-D-galactosyl-(1->4)-β-D-glucose Gal(beta1->3)glcnac(beta1->3)gal(beta1->4)GLC Gal(β1→3)glcnac(β1→3)gal(β1→4)GLC Gal-glcnac-gal-GLC Galp(beta1->3)glcpnac(beta1->3)galp(beta1->4)GLCP Galp(β1→3)glcpnac(β1→3)galp(β1→4)GLCP LNT O-beta-D-Galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-glucose O-beta-D-Galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose O-Β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose O-Β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose beta-D-Gal-(1->3)-beta-D-glcnac-(1->3)-beta-D-gal-(1->4)-D-GLC beta-D-Galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose Β-D-gal-(1→3)-β-D-glcnac-(1→3)-β-D-gal-(1→4)-D-GLC Β-D-gal-(1→3)-β-D-glcnac-(1→3)-β-D-gal-(1→4)-β-D-GLC Β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-D-glucose Β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucose Galp-glcpnac-galp-GLCP beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose beta-D-Galp-(1->3)-beta-D-glcpnac-(1->3)-beta-D-galp-(1->4)-D-GLCP beta-D-Galp-(1->3)-beta-D-glcpnac-(1->3)-beta-D-galp-(1->4)-beta-D-GLCP Β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose Β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose Β-D-galp-(1→3)-β-D-glcpnac-(1→3)-β-D-galp-(1→4)-D-GLCP Β-D-galp-(1→3)-β-D-glcpnac-(1→3)-β-D-galp-(1→4)-β-D-GLCP b-D-Galp-(1->3)-b-D-glcpnac-(1->3)-b-D-galp-(1->4)-b-D-GLCP Β-D-galp-(1->3)-β-D-glcpnac-(1->3)-β-D-galp-(1->4)-β-D-GLCP Lacto-N-tetraose C26H45NO21 707.632 707.248407473 N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide 7578-24-7 CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23-,24+,25+,26+/m1/s1 AXQLFFDZXPOFPO-UNTPKZLMSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Oligosaccharides Acetals Acetamides Carbonyl compounds 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 Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Oligosaccharide Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc Solid logp -2.56 ALOGPS logs -0.51 ALOGPS logp -8.5 ChemAxon pka_strongest_acidic 11.16 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide ChemAxon average_mass 707.632 ChemAxon mono_mass 707.248407473 ChemAxon smiles CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ChemAxon formula C26H45NO21 ChemAxon inchi InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23-,24+,25+,26+/m1/s1 ChemAxon inchikey AXQLFFDZXPOFPO-UNTPKZLMSA-N ChemAxon polar_surface_area 356.7 ChemAxon refractivity 144.26 ChemAxon polarizability 66.21 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 2360564 Specdb::MsMs 2360565 Specdb::MsMs 2360566 Specdb::MsMs 2604977 Specdb::MsMs 2604978 Specdb::MsMs 2604979 Specdb::NmrOneD 80892 Specdb::NmrOneD 80893 Specdb::NmrOneD 80894 Specdb::NmrOneD 80895 Specdb::NmrOneD 80896 Specdb::NmrOneD 80897 Specdb::NmrOneD 80898 Specdb::NmrOneD 80899 Specdb::NmrOneD 80900 Specdb::NmrOneD 80901 Specdb::NmrOneD 80902 Specdb::NmrOneD 80903 Specdb::NmrOneD 80904 Specdb::NmrOneD 80905 Specdb::NmrOneD 80906 Specdb::NmrOneD 80907 Specdb::NmrOneD 80908 Specdb::NmrOneD 80909 Specdb::NmrOneD 80910 Specdb::NmrOneD 80911 Specdb::CMs 753048 Specdb::CMs 753049 Specdb::CMs 753050 Specdb::CMs 753051 Specdb::CMs 753052 Specdb::CMs 753053 Specdb::CMs 753054 Specdb::CMs 753055 Specdb::CMs 753056 Specdb::CMs 753057 Specdb::CMs 753058 Specdb::CMs 753059 Specdb::CMs 753060 Specdb::CMs 753061 Specdb::CMs 753062 Specdb::CMs 753063 Specdb::CMs 753064 Specdb::CMs 753065 Specdb::CMs 753066 Specdb::CMs 753067 Specdb::CMs 753068 Specdb::CMs 753069 Specdb::CMs 753070 Specdb::CMs 753071 Specdb::CMs 753072 FDB019386 4443269 5279514 53481 Lacto-N-tetraose Yamashita, Katsuko; Tachibana, Yoko; Kobata, Akira. Oligosaccharides of human milk: structures of three lacto-N-hexaose derivatives with H-haptenic structure. Archives of Biochemistry and Biophysics (1977), 182(2), 546-55.