1.0 2020-03-10 17:03:24 UTC 2020-04-22 18:56:54 UTC BMDB0096234 BMDB96234 Chondroitin 4,6-disulfate Chondroitin 4,6-disulfuric acid Chondroitin 4,6-disulphate Chondroitin 4,6-disulphuric acid (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[(2R,3R,4R,5R,6R)-2-hydroxy-3-[(1-hydroxyethylidene)amino]-5-(sulfooxy)-6-[(sulfooxy)methyl]oxan-4-yl]oxy}oxane-2-carboxylate (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[(2R,3R,4R,5R,6R)-2-hydroxy-3-[(1-hydroxyethylidene)amino]-5-(sulphooxy)-6-[(sulphooxy)methyl]oxan-4-yl]oxy}oxane-2-carboxylate (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[(2R,3R,4R,5R,6R)-2-hydroxy-3-[(1-hydroxyethylidene)amino]-5-(sulphooxy)-6-[(sulphooxy)methyl]oxan-4-yl]oxy}oxane-2-carboxylic acid Chondroitin 4,6-sulfate Chondroitin 4,6-sulphate Chondroitin e sulfate Chondroitin e sulphate Chondroitin sulfate e Chondroitin sulfate type e Chondroitin sulphate e Chondroitin sulphate type e Chondroitin-4,6-sulfate Chondroitin-4,6-sulphate Chondroitinsulfuric acid e Chondroitinsulfuric acid type e Chondroitinsulphuric acid e Chondroitinsulphuric acid type e Chondroitin 4,6-disulfate (C14H21NO17S2)nH2O 11115-73-4 [H]O[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1NC(C)=O InChI=1S/C14H23NO18S2/c1-3(16)15-5-10(31-14-8(19)6(17)7(18)11(32-14)12(20)21)9(33-35(26,27)28)4(30-13(5)22)2-29-34(23,24)25/h4-11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8-,9+,10-,11+,13-,14-/m1/s1 YMRGBHXQASMOMH-MMPMEFKSSA-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 Alkyl sulfates Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Disaccharide sulfates Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha-hexosamines O-glucuronides O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Secondary carboxylic acid amides Sulfuric acid monoesters 1-o-glucuronide Acetal Acetamide Acylaminosugar Alcohol Aliphatic heteromonocyclic compound Alkyl sulfate Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Disaccharide Disaccharide sulfate Glucuronic acid or derivatives Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acyl-alpha-hexosamine O-glucuronide O-glycosyl compound Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Secondary carboxylic acid amide Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Aliphatic heteromonocyclic compounds logp -2.09 ALOGPS logs -1.63 ALOGPS smiles [H]O[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1NC(C)=O ChemAxon formula (C14H21NO17S2)nH2O ChemAxon inchi InChI=1S/C14H23NO18S2/c1-3(16)15-5-10(31-14-8(19)6(17)7(18)11(32-14)12(20)21)9(33-35(26,27)28)4(30-13(5)22)2-29-34(23,24)25/h4-11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8-,9+,10-,11+,13-,14-/m1/s1 ChemAxon inchikey YMRGBHXQASMOMH-MMPMEFKSSA-N ChemAxon formal_charge 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon Specdb::MsMs 3061619 Specdb::MsMs 3061620 Specdb::MsMs 3061621 Specdb::MsMs 3109461 Specdb::MsMs 3109462 Specdb::MsMs 3109463 Specdb::MsIr 10477 Specdb::MsIr 10478 Specdb::MsIr 10479 Specdb::NmrOneD 66852 Specdb::NmrOneD 66853 Specdb::NmrOneD 66854 Specdb::NmrOneD 66855 Specdb::NmrOneD 66856 Specdb::NmrOneD 66857 Specdb::NmrOneD 66858 Specdb::NmrOneD 66859 Specdb::NmrOneD 66860 Specdb::NmrOneD 66861 Specdb::NmrOneD 66862 Specdb::NmrOneD 66863 Specdb::NmrOneD 66864 Specdb::NmrOneD 66865 Specdb::NmrOneD 66866 Specdb::NmrOneD 66867 Specdb::NmrOneD 66868 Specdb::NmrOneD 66869 Specdb::NmrOneD 66870 Specdb::NmrOneD 66871 FDB111739 101803212 C20907 52562 Chondroitin-Sulfate-E Chondroitin_sulfate