1.0 2016-09-30 23:23:28 UTC 2020-04-22 15:17:53 UTC BMDB0006567 BMDB06567 Neolactotetraose beta-D-Gal-(1->4)-beta-D-glcnac-(1->3)-beta-D-gal-(1->4)-beta-D-GLC beta-D-Galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucose BetaGal(1->4)betaglcnac(1->3)betagal(1->4)betaglc Galb1-4glcnacb1-3galb1-4GLCB Galbeta1-4glcnacbeta1-3galbeta1-4glcbeta 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_c4-D1 b-D-Gal-(1->4)-b-D-glcnac-(1->3)-b-D-gal-(1->4)-b-D-GLC Β-D-gal-(1->4)-β-D-glcnac-(1->3)-β-D-gal-(1->4)-β-D-GLC b-D-Galactosyl-(1->4)-N-acetyl-b-D-glucosaminyl-(1->3)-b-D-galactosyl-(1->4)-b-D-glucose Β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->3)-β-D-galactosyl-(1->4)-β-D-glucose Gal(beta1->4)glcnac(beta1->3)gal(beta1->4)GLC Gal(β1→4)glcnac(β1→3)gal(β1→4)GLC Gal-glcnac-gal-GLC Galp(beta1->4)glcpnac(beta1->3)galp(beta1->4)GLCP Galp(β1→4)glcpnac(β1→3)galp(β1→4)GLCP LNNT Lacto-N-neotetraose N-Neotetraose O-beta-D-Galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-glucose O-beta-D-Galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose O-Β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose O-Β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose beta-D-Gal-(1->4)-beta-D-glcnac-(1->3)-beta-D-gal-(1->4)-D-GLC beta-D-Galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose beta-Neolactotetraose Β-D-gal-(1→4)-β-D-glcnac-(1→3)-β-D-gal-(1→4)-D-GLC Β-D-gal-(1→4)-β-D-glcnac-(1→3)-β-D-gal-(1→4)-β-D-GLC Β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-D-glucose Β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucose Β-neolactotetraose Galp-glcpnac-galp-GLCP beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose beta-D-Galp-(1->4)-beta-D-glcpnac-(1->3)-beta-D-galp-(1->4)-D-GLCP beta-D-Galp-(1->4)-beta-D-glcpnac-(1->3)-beta-D-galp-(1->4)-beta-D-GLCP Β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose Β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose Β-D-galp-(1→4)-β-D-glcpnac-(1→3)-β-D-galp-(1→4)-D-GLCP Β-D-galp-(1→4)-β-D-glcpnac-(1→3)-β-D-galp-(1→4)-β-D-GLCP b-D-Galp-(1->4)-b-D-glcnacp-(1->3)-b-D-galp-(1->4)-b-D-GLCP Β-D-galp-(1->4)-β-D-glcnacp-(1->3)-β-D-galp-(1->4)-β-D-GLCP 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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide 86594-19-6 CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)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 IEQCXFNWPAHHQR-OEMKBTDYSA-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->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc Solid logp -2.57 ALOGPS logs -0.52 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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,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](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O ChemAxon formula C26H45NO21 ChemAxon inchi InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)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 IEQCXFNWPAHHQR-OEMKBTDYSA-N ChemAxon polar_surface_area 356.7 ChemAxon refractivity 144.26 ChemAxon polarizability 67.28 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 2825830 Specdb::MsMs 2825831 Specdb::MsMs 2825832 Specdb::MsMs 2856684 Specdb::MsMs 2856685 Specdb::MsMs 2856686 Specdb::NmrOneD 80912 Specdb::NmrOneD 80913 Specdb::NmrOneD 80914 Specdb::NmrOneD 80915 Specdb::NmrOneD 80916 Specdb::NmrOneD 80917 Specdb::NmrOneD 80918 Specdb::NmrOneD 80919 Specdb::NmrOneD 80920 Specdb::NmrOneD 80921 Specdb::NmrOneD 80922 Specdb::NmrOneD 80923 Specdb::NmrOneD 80924 Specdb::NmrOneD 80925 Specdb::NmrOneD 80926 Specdb::NmrOneD 80927 Specdb::NmrOneD 80928 Specdb::NmrOneD 80929 Specdb::NmrOneD 80930 Specdb::NmrOneD 80931 Specdb::CMs 753167 Specdb::CMs 753168 Specdb::CMs 753169 Specdb::CMs 753170 Specdb::CMs 753171 Specdb::CMs 753172 Specdb::CMs 753173 Specdb::CMs 753174 Specdb::CMs 753175 Specdb::CMs 753176 Specdb::CMs 753177 Specdb::CMs 753178 Specdb::CMs 753179 Specdb::CMs 753180 Specdb::CMs 753181 Specdb::CMs 753182 Specdb::CMs 753183 Specdb::CMs 753184 Specdb::CMs 753185 Specdb::CMs 753186 Specdb::CMs 753187 Specdb::CMs 753188 Specdb::CMs 753189 Specdb::CMs 753190 Specdb::CMs 753191 FDB112368 10279537 21670519 61844 Aly M R; Ibrahim el-S I; Ashry el-S H; Schmidt R R Synthesis of lacto-N-neotetraose and lacto-N-tetraose using the dimethylmaleoyl group as amino protective group. Carbohydrate research (1999), 316(1-4), 121-32.