1.0 2011-09-21 00:10:52 UTC 2015-07-21 06:57:05 UTC FDB022249 N-Acetyl-9-O-acetylneuraminic acid 9-O-acetyl-N-acetylneuraminic acid is an O acetylated sialic acid identified in human colon by using high-pressure liquid chromatography and gas-liquid chromatography/mass spectrometry. (PMID 3623000) It also has been suggested that 9-O-acetyl-N-acetylneuraminic acid is an essential component of the cell surface receptor of influenza C virus. (PMID 3700379) [HMDB] 9-Anana 9-O-Acetyl-N-acetylneuraminate 9-O-Acetyl-N-acetylneuraminic acid 9-O-Acetylsialate 9-O-Acetylsialic acid N-Acetyl-9-O-acetylneuraminate N-Acetyl-9-O-acetylneuraminic acid N,9-O-Diacetylneuraminate N,9-O-Diacetylneuraminic acid Neu5,9Ac2 C13H21NO10 351.3065 351.116545897 (2S,4S,5R,6R)-6-[(1R,2R)-3-(acetyloxy)-1,2-dihydroxypropyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid 9-O-acetylsialic acid 55717-54-9 CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)COC(C)=O)C(O)=O InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1 NYWZBRWKDRMPAS-GRRZBWEESA-N belongs to the class of organic compounds known as neuraminic acids. These are carbohydrate derivatives containing a neuraminic acid moiety. Neuraminic acids Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Alpha hydroxy acids and derivatives C-glucuronides C-glycosyl compounds Carbonyl compounds Carboximidic acids Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Hemiacetals Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Propargyl-type 1,3-dipolar organic compounds Pyrans Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Alpha-hydroxy acid C-glucuronide C-glycosyl compound Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid Neuraminic acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Propargyl-type 1,3-dipolar organic compound Pyran Secondary alcohol N-acetyl-O-acetylneuraminic acid Solid logp -2.35 ALOGPS logs -0.53 ALOGPS solubility 1.03e+02 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (2S,4S,5R,6R)-6-[(1R,2R)-3-(acetyloxy)-1,2-dihydroxypropyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid ChemAxon average_mass 351.3065 ChemAxon mono_mass 351.116545897 ChemAxon smiles CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)COC(C)=O)C(O)=O ChemAxon formula C13H21NO10 ChemAxon inchi InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1 ChemAxon inchikey NYWZBRWKDRMPAS-GRRZBWEESA-N ChemAxon polar_surface_area 182.85 ChemAxon refractivity 72.93 ChemAxon polarizability 31.82 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 317104 Specdb::MsMs 317105 Specdb::MsMs 317106 Specdb::MsMs 363505 Specdb::MsMs 363506 Specdb::MsMs 363507 Specdb::MsMs 2467937 Specdb::MsMs 2467938 Specdb::MsMs 2467939 Specdb::MsMs 2497283 Specdb::MsMs 2497284 Specdb::MsMs 2497285 Specdb::NmrOneD 20822 Specdb::NmrOneD 20823 Specdb::NmrOneD 20824 Specdb::NmrOneD 20825 Specdb::NmrOneD 20826 Specdb::NmrOneD 20827 Specdb::NmrOneD 20828 Specdb::NmrOneD 20829 Specdb::NmrOneD 20830 Specdb::NmrOneD 20831 Specdb::NmrOneD 20832 Specdb::NmrOneD 20833 Specdb::NmrOneD 20834 Specdb::NmrOneD 20835 Specdb::NmrOneD 20836 Specdb::NmrOneD 20837 Specdb::NmrOneD 20838 Specdb::NmrOneD 20839 Specdb::NmrOneD 20840 Specdb::NmrOneD 20841 Specdb::CMs 23004 Specdb::CMs 37769 Specdb::CMs 136627 Specdb::CMs 144361 Specdb::CMs 1076442 Specdb::CMs 1076444 Specdb::CMs 1076446 Specdb::CMs 1076448 Specdb::CMs 1076450 Specdb::CMs 1076452 Specdb::CMs 1076454 Specdb::CMs 1076455 Specdb::CMs 1076456 Specdb::CMs 1076457 Specdb::CMs 1076459 Specdb::CMs 1076460 Specdb::CMs 1076462 Specdb::CMs 1076464 Specdb::CMs 1076466 Specdb::CMs 1076468 Specdb::CMs 1076470 Specdb::CMs 1076471 Specdb::CMs 1076473 Specdb::CMs 1076475 Specdb::CMs 1076477 HMDB00794 #<Reference:0x000055ce3277b608> #<Reference:0x000055ce3277b400> #<Reference:0x000055ce3277b248> 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 RNA 3'-terminal phosphate cyclase O00442 RTCA