1.0 2016-09-30 22:50:35 UTC 2020-04-22 15:09:36 UTC BMDB0002061 BMDB02061 Hyaluronic acid Hyaluronate (2S,3S,4R,5R,6S)-4,5-Dihydroxy-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methoxyoxane-2-carboxylate C16H27NO12 425.387 425.153325313 (2S,3S,4R,5R,6S)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methoxyoxane-2-carboxylic acid hyaluronate [H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(N=C(C)O)[C@@]([H])(O[C@@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(OC)[C@]([H])(O)[C@@]2([H])O)[C@]1([H])O InChI=1S/C16H27NO12/c1-5(19)17-7-11(8(20)6(4-18)27-15(7)26-3)28-16-10(22)9(21)12(25-2)13(29-16)14(23)24/h6-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t6-,7-,8-,9-,10-,11-,12+,13+,15-,16+/m1/s1 OEANUJAFZLQYOD-RFLIHGOWSA-N belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates N-acyl-alpha-hexosamines Acetals Acetamides Carbonyl compounds Carboxylic acids Dialkyl ethers Disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Primary alcohols Pyrans Secondary alcohols Secondary carboxylic acid amides 1-o-glucuronide Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dialkyl ether Disaccharide Ether Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-hexosamine O-glucuronide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Primary alcohol Pyran Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -1.92 ALOGPS logs -0.76 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 3.14 ChemAxon pka_strongest_basic 1.31 ChemAxon iupac (2S,3S,4R,5R,6S)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methoxyoxane-2-carboxylic acid ChemAxon average_mass 425.387 ChemAxon mono_mass 425.153325313 ChemAxon smiles [H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(N=C(C)O)[C@@]([H])(O[C@@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(OC)[C@]([H])(O)[C@@]2([H])O)[C@]1([H])O ChemAxon formula C16H27NO12 ChemAxon inchi InChI=1S/C16H27NO12/c1-5(19)17-7-11(8(20)6(4-18)27-15(7)26-3)28-16-10(22)9(21)12(25-2)13(29-16)14(23)24/h6-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t6-,7-,8-,9-,10-,11-,12+,13+,15-,16+/m1/s1 ChemAxon inchikey OEANUJAFZLQYOD-RFLIHGOWSA-N ChemAxon polar_surface_area 196.96 ChemAxon refractivity 89.33 ChemAxon polarizability 39.4 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge -1 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::MsMs 1231045 Specdb::MsMs 1231046 Specdb::MsMs 1231047 Specdb::MsMs 1346587 Specdb::MsMs 1346588 Specdb::MsMs 1346589 57504018 Hyaluronic acid Tan, Wensong; Hu, Yihong; Zhang, Xu; Cai, Haibo. Method for preparing hyaluronic acid from microbial fermentation broth. Faming Zhuanli Shenqing Gongkai Shuomingshu (2007), 10pp. BMDBP02043 Brevican core protein Q28062 BCAN Enzyme BMDBP02060 Aggrecan core protein P13608 ACAN Enzyme BMDBP02071 Versican core protein P81282 VCAN Enzyme BMDBP02073 Aggrecan Q6XL67 Enzyme BMDBP02226 HAPLN3 protein A5PK97 HAPLN3 Enzyme BMDBP02227 Hyaluronan and proteoglycan link protein 2 Q0VD13 HAPLN2 Enzyme BMDBP02228 Aggrecan Q6XL68 Enzyme BMDBP02229 LYVE-1 protein A5D7P9 LYVE-1 Enzyme BMDBP02230 Lymphatic vessel endothelial hyaluronic acid receptor 1 Q6UC88 LYVE1 Enzyme BMDBP02231 Receptor for hyaluronic acid mediated motility Q8SPM2 rhamm Enzyme BMDBP02232 TNF alpha induced protein 6 Q5W1C4 TNFAIP6 Enzyme BMDBP02233 CD44 antigen Q0VD03 CD44 Enzyme BMDBP02234 Putative hyaluronan receptor for endocytosis Q864U4 hare Enzyme BMDBP02236 Hyaluronan and proteoglycan link protein 1 P55252 HAPLN1 Enzyme BMDBP02237 CD44 antigen Q29423 CD44 Enzyme BMDBP02238 BCAN protein A4IF65 BCAN Enzyme