1.0 2016-05-26 05:19:32 UTC 2026-04-14 17:42:28 UTC Chondroitin sulfate SmallMolecule Chondroitin sulfate is an organic compound with the formula C13H21NO15S and an average molecular weight of 463.37 g/mol. Chondroitin sulfate belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. Industrially, the substance is utilized as a nutrient and a flavouring agent. The compound is found in several recorded sources, including ceilings and floors within building and construction, as well as antiinflammatory and antirheumatic products used in healthcare, pharmaceuticals, and veterinary medicine. Recorded routes of exposure include topical and oral administration. Chondroitin sulfate interacts with four recorded protein targets: the precursor form of the neurotrophic factor BDNF, the glial cell line-derived neurotrophic factor (GDNF), the long form of vascular endothelial growth factor A (VEGFA), and C-C motif chemokine 2 (CCL2). C13H21NO15S 463.369 463.063189697 (2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 9007-28-7 CC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1 KXKPYJOVDUMHGS-OSRGNVMNSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glucuronides Acetals Acetamides Alkyl sulfates Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Disaccharides Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives 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 Alcohol Aliphatic heteromonocyclic compound Alkyl sulfate Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives 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 Detected and Not Quantified logp -1.19 ALOGPS logs -0.91 ALOGPS solubility 5.71e+01 g/l ALOGPS logp -6.2 ChemAxon pka_strongest_acidic -1.9 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6R)-6-{[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 463.369 ChemAxon mono_mass 463.063189697 ChemAxon smiles CC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O ChemAxon formula C13H21NO15S ChemAxon inchi InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1 ChemAxon inchikey KXKPYJOVDUMHGS-OSRGNVMNSA-N ChemAxon polar_surface_area 258.84 ChemAxon refractivity 84.36 ChemAxon polarizability 38.83 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f24d7c0> DB09301 21873177 10619318 BE0003394 BE0002486 BE0000163 BE0001047