1.0 2011-04-06 18:43:47 UTC 2015-07-21 06:56:06 UTC FDB021783 6'-Sialyllactosamine One of the most abundant sialyloligosaccharide found in bovine milk. 6'-Sialyl lactosamine 6'-SLN 6'-SLN [ABBR] D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-amino-2-deoxy- O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-amino-2-deoxy-D-glucose C23H40N2O18 632.5663 632.227612486 (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid 191667-37-5 CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O InChI=1S/C23H40N2O18/c1-7(29)25-13-9(30)2-23(22(38)39,43-20(13)15(34)10(31)4-27)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-28)14(33)8(24)3-26/h3,8-21,27-28,30-37H,2,4-6,24H2,1H3,(H,25,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1 KNCBIECJUBQYDY-GIGDJUIZSA-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 Alkyl glycosides Amino acids Aminosaccharides Beta-hydroxy aldehydes C-glucuronides C-glycosyl compounds Carboxylic acids Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Ketals Monoalkylamines Monocarboxylic acids and derivatives Monosaccharides Neuraminic acids O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Amine Amino acid Amino acid or derivatives Amino saccharide Beta-hydroxy aldehyde C-glucuronide C-glycosyl compound Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Ketal Monocarboxylic acid or derivatives Monosaccharide N-acylneuraminic acid Neuraminic acid O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Primary aliphatic amine Primary amine Pyran Secondary alcohol Secondary carboxylic acid amide logp -3.02 ALOGPS logs -0.88 ALOGPS solubility 8.31e+01 g/l ALOGPS logp -10 ChemAxon pka_strongest_acidic 2.59 ChemAxon pka_strongest_basic 7.16 ChemAxon iupac (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid ChemAxon average_mass 632.5663 ChemAxon mono_mass 632.227612486 ChemAxon smiles CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O ChemAxon formula C23H40N2O18 ChemAxon inchi InChI=1S/C23H40N2O18/c1-7(29)25-13-9(30)2-23(22(38)39,43-20(13)15(34)10(31)4-27)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-28)14(33)8(24)3-26/h3,8-21,27-28,30-37H,2,4-6,24H2,1H3,(H,25,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1 ChemAxon inchikey KNCBIECJUBQYDY-GIGDJUIZSA-N ChemAxon polar_surface_area 348.71 ChemAxon refractivity 131.69 ChemAxon polarizability 58.62 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 48642 Specdb::NmrOneD 48643 Specdb::NmrOneD 48644 Specdb::NmrOneD 48645 Specdb::NmrOneD 48646 Specdb::NmrOneD 48647 Specdb::NmrOneD 48648 Specdb::NmrOneD 48649 Specdb::NmrOneD 48650 Specdb::NmrOneD 48651 Specdb::NmrOneD 48652 Specdb::NmrOneD 48653 Specdb::NmrOneD 48654 Specdb::NmrOneD 48655 Specdb::NmrOneD 48656 Specdb::NmrOneD 48657 Specdb::NmrOneD 48658 Specdb::NmrOneD 48659 Specdb::NmrOneD 48660 Specdb::NmrOneD 48661 Specdb::MsMs 289363 Specdb::MsMs 289364 Specdb::MsMs 289365 Specdb::MsMs 328765 Specdb::MsMs 328766 Specdb::MsMs 328767 Specdb::MsMs 2463006 Specdb::MsMs 2463007 Specdb::MsMs 2463008 Specdb::MsMs 2499416 Specdb::MsMs 2499417 Specdb::MsMs 2499418 Specdb::CMs 10602 Specdb::CMs 587819 Specdb::CMs 587820 Specdb::CMs 587821 Specdb::CMs 587822 Specdb::CMs 587823 Specdb::CMs 587824 Specdb::CMs 587825 Specdb::CMs 587826 Specdb::CMs 587827 Specdb::CMs 587828 Specdb::CMs 587829 Specdb::CMs 587830 Specdb::CMs 587831 Specdb::CMs 587832 Specdb::CMs 587833 Specdb::CMs 587834 Specdb::CMs 587835 Specdb::CMs 587836 Specdb::CMs 587837 Specdb::CMs 587838 Specdb::CMs 587839 Specdb::CMs 587840 Specdb::CMs 587841 Specdb::CMs 587842 HMDB41621 #<Reference:0x00007f093c1af210> 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