1.0 2011-09-21 00:10:39 UTC 2015-07-21 06:57:04 UTC FDB022234 N-Acetyl-alpha-neuraminic acid N-Acetyl-a-neuraminic acid is a derivatized monosaccharide. Neuraminic acid derivatives are found widely distributed in animal tissues and in bacteria. The N- or O-substituted derivatives of neuraminic acid are collectively known as sialic acids, the predominant one being N-acetylneuraminic acid. [HMDB] 5-(acetylamino)-3,5-dideoxy-D-glycero-a-D-galacto-2-Nonulopyranosonate 5-(acetylamino)-3,5-dideoxy-D-glycero-a-D-galacto-2-Nonulopyranosonic acid 5-(acetylamino)-3,5-dideoxy-delta-glycero-alpha-delta-galacto-2-Nonulopyranosonate 5-(acetylamino)-3,5-dideoxy-delta-glycero-alpha-delta-galacto-2-Nonulopyranosonic acid 5-acetamido-3,5-dideoxy-a-D-glycero-D-galacto-Nonulopyranosonate 5-acetamido-3,5-dideoxy-a-D-glycero-D-galacto-Nonulopyranosonic acid 5-acetamido-3,5-dideoxy-alpha-delta-glycero-delta-galacto-Nonulopyranosonate 5-acetamido-3,5-dideoxy-alpha-delta-glycero-delta-galacto-Nonulopyranosonic acid a-Neu5ac alpha-Neu5ac N-Acetyl-a-D-neuraminate N-Acetyl-a-D-neuraminic acid N-Acetyl-a-neuraminate N-Acetyl-a-neuraminic acid N-Acetyl-alpha-delta-neuraminate N-Acetyl-alpha-delta-neuraminic acid N-Acetyl-alpha-neuraminate α-neu5ac C11H19NO9 309.2699 309.105981211 (2R,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid N-acetylneuraminic acid 21646-00-4 [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1 SQVRNKJHWKZAKO-YRMXFSIDSA-N belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent. N-acylneuraminic acids Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetamides Alpha hydroxy acids and derivatives C-glucuronides C-glycosyl compounds Carbonyl compounds Carboxylic acids Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Neuraminic acids Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Secondary carboxylic acid amides Acetamide Alcohol Aliphatic heteromonocyclic compound Alpha-hydroxy acid C-glucuronide C-glycosyl compound Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acylneuraminic acid Neuraminic acid Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Secondary carboxylic acid amide N-acetylneuraminic acid Solid logp -2.78 ALOGPS logs -0.13 ALOGPS solubility 2.27e+02 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 3 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (2R,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid ChemAxon average_mass 309.2699 ChemAxon mono_mass 309.105981211 ChemAxon smiles [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO ChemAxon formula C11H19NO9 ChemAxon inchi InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1 ChemAxon inchikey SQVRNKJHWKZAKO-YRMXFSIDSA-N ChemAxon polar_surface_area 176.78 ChemAxon refractivity 63.78 ChemAxon polarizability 28.19 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 28334 Specdb::MsMs 28335 Specdb::MsMs 28336 Specdb::MsMs 34892 Specdb::MsMs 34893 Specdb::MsMs 34894 Specdb::MsMs 2746597 Specdb::MsMs 2746598 Specdb::MsMs 2746599 Specdb::MsMs 2932362 Specdb::MsMs 2932363 Specdb::MsMs 2932364 Specdb::CMs 12640 Specdb::CMs 37757 Specdb::CMs 131847 Specdb::CMs 139581 Specdb::CMs 147132 Specdb::CMs 279584 Specdb::CMs 1075503 Specdb::CMs 1075504 Specdb::CMs 1075506 Specdb::CMs 1075508 Specdb::CMs 1075510 Specdb::CMs 1075512 Specdb::CMs 1075514 Specdb::CMs 1075516 Specdb::CMs 1075518 Specdb::CMs 1075520 Specdb::CMs 1075521 Specdb::CMs 1075523 Specdb::CMs 1075525 Specdb::CMs 1075527 Specdb::CMs 1075529 Specdb::CMs 1075531 Specdb::CMs 1075533 Specdb::CMs 1075535 Specdb::CMs 1075537 HMDB00773 SIA #<Reference:0x000055ce31ecf6f8> 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