1.0 2016-09-30 23:23:42 UTC 2020-04-22 15:17:58 UTC BMDB0006583 BMDB06583 Poly-N-acetyllactosamine PNALA Poly(N-acetyllactosamine) 2-(acetylamino)-2-Deoxy-4-O-beta-D-galactopyranosyl-D-glucose 2-(acetylamino)-2-Deoxy-4-O-beta-D-galactopyranosyl-D-glucose homopolymer N-Acetyl-4-O-beta-D-galactopyranosyl-D-glucosamine N-Acetyl-lactosamine O-beta-D-Galactopyranosyl-(14)-2-deoxy-2-acetamido-D-glucose N-[(2R,3R,4S,5R)-3,5,6-Trihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]ethanimidate Poly-N-acetyllactosamine C14H25NO11 383.3484 383.142760647 N-[(2R,3R,4S,5R)-3,5,6-trihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]acetamide N-[(2R,3R,4S,5R)-3,5,6-trihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]acetamide 82441-98-3 CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO InChI=1S/C14H25NO11/c1-5(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/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1 HESSGHHCXGBPAJ-ZBELOFFLSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Acetamides Alkyl glycosides Aminosaccharides Beta-hydroxy aldehydes Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Amino saccharide Beta-hydroxy aldehyde Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -2.70 ALOGPS logs -0.40 ALOGPS logp -5.6 ChemAxon pka_strongest_acidic 11.41 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3R,4S,5R)-3,5,6-trihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]acetamide ChemAxon average_mass 383.3484 ChemAxon mono_mass 383.142760647 ChemAxon smiles CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO ChemAxon formula C14H25NO11 ChemAxon inchi InChI=1S/C14H25NO11/c1-5(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/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1 ChemAxon inchikey HESSGHHCXGBPAJ-ZBELOFFLSA-N ChemAxon polar_surface_area 206.24 ChemAxon refractivity 80.86 ChemAxon polarizability 35.62 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 286468 Specdb::MsMs 286469 Specdb::MsMs 286470 Specdb::MsMs 325048 Specdb::MsMs 325049 Specdb::MsMs 325050 Specdb::MsMs 2798624 Specdb::MsMs 2798625 Specdb::MsMs 2798626 Specdb::MsMs 2883437 Specdb::MsMs 2883438 Specdb::MsMs 2883439 Specdb::NmrOneD 81132 Specdb::NmrOneD 81133 Specdb::NmrOneD 81134 Specdb::NmrOneD 81135 Specdb::NmrOneD 81136 Specdb::NmrOneD 81137 Specdb::NmrOneD 81138 Specdb::NmrOneD 81139 Specdb::NmrOneD 81140 Specdb::NmrOneD 81141 Specdb::NmrOneD 81142 Specdb::NmrOneD 81143 Specdb::NmrOneD 81144 Specdb::NmrOneD 81145 Specdb::NmrOneD 81146 Specdb::NmrOneD 81147 Specdb::NmrOneD 81148 Specdb::NmrOneD 81149 Specdb::NmrOneD 81150 Specdb::NmrOneD 81151 Specdb::CMs 9275 Specdb::CMs 39047 Specdb::CMs 136199 Specdb::CMs 143933 Specdb::CMs 151348 Specdb::CMs 151351 Specdb::CMs 151353 Specdb::CMs 151355 Specdb::CMs 151357 Specdb::CMs 151359 Specdb::CMs 151361 Specdb::CMs 151363 Specdb::CMs 151364 Specdb::CMs 151366 Specdb::CMs 151369 Specdb::CMs 151371 Specdb::CMs 151373 Specdb::CMs 151375 Specdb::CMs 151378 Specdb::CMs 151380 Specdb::CMs 151382 Specdb::CMs 151383 Specdb::CMs 151386 Specdb::CMs 151387 Specdb::CMs 151390 FDB023985 106753 119547 4231 BMDBP02246 Keratocan O62702 KERA Enzyme