1.0 2011-09-21 00:14:21 UTC 2015-07-21 06:57:13 UTC FDB022459 Keratan A sulfated mucopolysaccharide initially isolated from bovine cornea. At least two types are known. Type I, found mostly in the cornea, contains D-galactose and D-glucosamine-6-O-sulfate as the repeating unit; type II, found in skeletal tissues, contains D-galactose and D-galactosamine-6-O-sulfate as the repeating unit. [HMDB] keratan 6'-sulfate Keratan 6'-sulphate keratan sulfate Keratan sulphate kerato 6'-sulfate Kerato 6'-sulphate Kerato sulfate Kerato sulphate C28H48N2O32S4 1052.935 1052.10730021 {[(2S,4S,5R,6S)-5-acetamido-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-[(sulfooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}-4-hydroxyoxan-2-yl]methoxy}sulfonic acid [(2S,4S,5R,6S)-5-acetamido-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-[(sulfooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}-4-hydroxyoxan-2-yl]methoxysulfonic acid 69992-87-6 CC(=O)N[C@@H]1[C@@H](O)C[C@@H](COS(O)(=O)=O)O[C@H]1O[C@H]1[C@@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H]3O)O[C@@H]2COS(O)(=O)=O)[C@@H]1O InChI=1S/C28H48N2O32S4/c1-8(31)29-15-11(33)3-10(4-52-63(40,41)42)56-26(15)62-24-18(35)13(6-54-65(46,47)48)58-28(21(24)38)60-22-14(7-55-66(49,50)51)59-27(16(19(22)36)30-9(2)32)61-23-17(34)12(5-53-64(43,44)45)57-25(39)20(23)37/h10-28,33-39H,3-7H2,1-2H3,(H,29,31)(H,30,32)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-,28-/m0/s1 KXCLCNHUUKTANI-RBIYJLQWSA-N belongs to the class of organic compounds known as oligosaccharide sulfates. These are carbohydrates containing between 3 and 9 sugar units, one of which bear one or more sulfate groups. Oligosaccharide sulfates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Acetamides Alkyl sulfates Carbonyl compounds Hemiacetals Hydrocarbon derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Secondary carboxylic acid amides Sulfuric acid monoesters Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Alkyl sulfate Carbonyl group Carboxamide group Carboxylic acid derivative Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Oligosaccharide sulfate Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Secondary alcohol Secondary carboxylic acid amide Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp -2.46 ALOGPS logs -1.63 ALOGPS solubility 2.49e+01 g/l ALOGPS logp -15 ChemAxon pka_strongest_acidic -2.6 ChemAxon pka_strongest_basic -4 ChemAxon iupac {[(2S,4S,5R,6S)-5-acetamido-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-[(sulfooxy)methyl]-6-{[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-[(sulfooxy)methyl]oxan-4-yl]oxy}-4-hydroxyoxan-2-yl]methoxy}sulfonic acid ChemAxon average_mass 1052.935 ChemAxon mono_mass 1052.10730021 ChemAxon smiles CC(=O)N[C@@H]1[C@@H](O)C[C@@H](COS(O)(=O)=O)O[C@H]1O[C@H]1[C@@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H]3O)O[C@@H]2COS(O)(=O)=O)[C@@H]1O ChemAxon formula C28H48N2O32S4 ChemAxon inchi InChI=1S/C28H48N2O32S4/c1-8(31)29-15-11(33)3-10(4-52-63(40,41)42)56-26(15)62-24-18(35)13(6-54-65(46,47)48)58-28(21(24)38)60-22-14(7-55-66(49,50)51)59-27(16(19(22)36)30-9(2)32)61-23-17(34)12(5-53-64(43,44)45)57-25(39)20(23)37/h10-28,33-39H,3-7H2,1-2H3,(H,29,31)(H,30,32)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-,28-/m0/s1 ChemAxon inchikey KXCLCNHUUKTANI-RBIYJLQWSA-N ChemAxon polar_surface_area 518.82 ChemAxon refractivity 194.24 ChemAxon polarizability 92.22 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 28 ChemAxon donor_count 13 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 4813 Specdb::MsMs 295486 Specdb::MsMs 295487 Specdb::MsMs 295488 Specdb::MsMs 336493 Specdb::MsMs 336494 Specdb::MsMs 336495 Specdb::MsMs 2283841 Specdb::MsMs 2283842 Specdb::MsMs 2283843 Specdb::MsMs 3081240 Specdb::MsMs 3081241 Specdb::MsMs 3081242 Specdb::NmrOneD 21322 Specdb::NmrOneD 21323 Specdb::NmrOneD 21324 Specdb::NmrOneD 21325 Specdb::NmrOneD 21326 Specdb::NmrOneD 21327 Specdb::NmrOneD 21328 Specdb::NmrOneD 21329 Specdb::NmrOneD 21330 Specdb::NmrOneD 21331 Specdb::NmrOneD 21332 Specdb::NmrOneD 21333 Specdb::NmrOneD 21334 Specdb::NmrOneD 21335 Specdb::NmrOneD 21336 Specdb::NmrOneD 21337 Specdb::NmrOneD 21338 Specdb::NmrOneD 21339 Specdb::NmrOneD 21340 Specdb::NmrOneD 21341 HMDB01165 #<Reference:0x000055ce3200fbf8> #<Reference:0x000055ce3200fa40> #<Reference:0x000055ce3200f888> #<Reference:0x000055ce3200f6d0> #<Reference:0x000055ce3200f518> #<Reference:0x000055ce3200f360> #<Reference:0x000055ce3200f1a8> #<Reference:0x000055ce3200eff0> #<Reference:0x000055ce3200ee38> #<Reference:0x000055ce3200ec80> #<Reference:0x000055ce3200eac8> #<Reference:0x000055ce3200e910> #<Reference:0x000055ce3200e758> #<Reference:0x000055ce3200e5a0> #<Reference:0x000055ce3200e3e8> #<Reference:0x000055ce3200e230> #<Reference:0x000055ce3200e078> #<Reference:0x000055ce3200dec0> #<Reference:0x000055ce3200dd08> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Beta-glucuronidase P08236 GUSB Carbohydrate sulfotransferase 1 O43916 CHST1 Carbohydrate sulfotransferase 3 Q7LGC8 CHST3 Carbohydrate sulfotransferase 6 Q9GZX3 CHST6 Carbohydrate sulfotransferase 7 Q9NS84 CHST7 Fibromodulin Q06828 FMOD Keratocan O60938 KERA UDP-GlcNAc:betaGal beta-1,3-N-acetylglucosaminyltransferase 7 Q8NFL0 B3GNT7