1.0 2016-09-30 22:47:26 UTC 2020-05-11 20:53:28 UTC BMDB0001542 BMDB01542 N-Acetyllactosamine beta-D-Galactosyl-1,4-N-acetyl-D-glucosamine Galb1-4glcnacb Galbeta1-4glcnacbeta LacNAc N-Acetyl-beta-lactosamine beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosamine b-D-Galactosyl-1,4-N-acetyl-D-glucosamine Β-D-galactosyl-1,4-N-acetyl-D-glucosamine N-Acetyl-b-lactosamine N-Acetyl-β-lactosamine b-D-Galactosyl-1,4-N-acetyl-b-D-glucosamine Β-D-galactosyl-1,4-N-acetyl-β-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 N-Acetyl-lactosamine ACETYL lactosamine C14H25NO11 383.3484 383.142760647 N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide N-acetyllactosamine 32181-59-2 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O InChI=1S/C14H25NO11/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/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1 KFEUJDWYNGMDBV-LODBTCKLSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Acylaminosugars Acetals Acetamides Carbonyl compounds 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 Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative 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 Aliphatic heteromonocyclic compounds beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine Solid logp -2.80 ALOGPS logs -0.17 ALOGPS logp -5 ChemAxon pka_strongest_acidic 11.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-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 383.3484 ChemAxon mono_mass 383.142760647 ChemAxon smiles CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O ChemAxon formula C14H25NO11 ChemAxon inchi InChI=1S/C14H25NO11/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/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1 ChemAxon inchikey KFEUJDWYNGMDBV-LODBTCKLSA-N ChemAxon polar_surface_area 198.4 ChemAxon refractivity 79.44 ChemAxon polarizability 35.66 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1668 Specdb::CMs 11885 Specdb::CMs 38115 Specdb::CMs 151201 Specdb::MsMs 1637 Specdb::MsMs 1638 Specdb::MsMs 1639 Specdb::MsMs 292207 Specdb::MsMs 292208 Specdb::MsMs 292209 Specdb::MsMs 332341 Specdb::MsMs 332342 Specdb::MsMs 332343 Specdb::MsMs 2290509 Specdb::MsMs 2290510 Specdb::MsMs 2290511 Specdb::MsMs 2644683 Specdb::MsMs 2644684 Specdb::MsMs 2644685 Specdb::NmrOneD 1727 Specdb::NmrOneD 96418 Specdb::NmrOneD 96419 Specdb::NmrOneD 96420 Specdb::NmrOneD 96421 Specdb::NmrOneD 96422 Specdb::NmrOneD 96423 Specdb::NmrOneD 96424 Specdb::NmrOneD 96425 Specdb::NmrOneD 96426 Specdb::NmrOneD 96427 Specdb::NmrOneD 96428 Specdb::NmrOneD 96429 Specdb::NmrOneD 96430 Specdb::NmrOneD 96431 Specdb::NmrOneD 96432 Specdb::NmrOneD 96433 Specdb::NmrOneD 96434 Specdb::NmrOneD 96435 Specdb::NmrOneD 96436 Specdb::NmrOneD 96437 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Intestine Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Spleen Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB019860 C00611 388404 439271 16153 N-Acetyllactosamine 4231 Dekany, Gyula; Agoston, Karoly; Bajza, Istvan; Boejstrup, Marie; Kroeger, Lars. Process for the large-scale preparation of N-acetyllactosamine, lactosamine, lactosamine salts and lactosamine-containing oligosaccharides. PCT Int. Appl. (2007), 44pp. BMDBP00604 Beta-1,4-galactosyltransferase 1 P08037 B4GALT1 Enzyme BMDBP00640 Beta-1,4-galactosyltransferase 3 Q5EA87 B4GALT3 Enzyme BMDBP00790 Beta-galactoside alpha-2,6-sialyltransferase 2 A5D7T4 ST6GAL2 Enzyme