1.0 2011-09-21 00:21:39 UTC 2015-07-21 06:57:25 UTC FDB022914 N-Acetyl-6-O-L-fucosyl-D-glucosamine N-Acetyl-6-O-L-fucosyl-D-glucosamine is an oligosaccharin obtained from human milk (Fiziologiya i Biokhimiya Kul'turnykh Rastenii (2002), 34(1), 52-57) [HMDB] 2-(acetylamino)-2-deoxy-6-O-(6-deoxy-L-galactopyranosyl)-D-Glucose C14H25NO10 367.349 367.147846025 N-[(2R,3R,4S)-3,4,5-trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide N-[(2R,3R,4S)-3,4,5-trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide 109582-58-3 C[C@@H]1OC(OCC(O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8?,9+,10+,11+,12+,13-,14?/m0/s1 YBWAUUBLHOFOPK-SOHGFDPZSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Acetamides Alkyl glycosides Aminosaccharides Beta-hydroxy aldehydes Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Amino saccharide Beta-hydroxy aldehyde Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Secondary alcohol Secondary carboxylic acid amide Solid logp -2.01 ALOGPS logs -0.56 ALOGPS solubility 1.02e+02 g/l ALOGPS logp -4.6 ChemAxon pka_strongest_acidic 11.42 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac N-[(2R,3R,4S)-3,4,5-trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide ChemAxon average_mass 367.349 ChemAxon mono_mass 367.147846025 ChemAxon smiles C[C@@H]1OC(OCC(O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O ChemAxon formula C14H25NO10 ChemAxon inchi InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8?,9+,10+,11+,12+,13-,14?/m0/s1 ChemAxon inchikey YBWAUUBLHOFOPK-SOHGFDPZSA-N ChemAxon polar_surface_area 186.01 ChemAxon refractivity 79.32 ChemAxon polarizability 34.99 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 115638 Specdb::NmrOneD 115639 Specdb::NmrOneD 115640 Specdb::NmrOneD 115641 Specdb::NmrOneD 115642 Specdb::NmrOneD 115643 Specdb::NmrOneD 115644 Specdb::NmrOneD 115645 Specdb::NmrOneD 115646 Specdb::NmrOneD 115647 Specdb::NmrOneD 115648 Specdb::NmrOneD 115649 Specdb::NmrOneD 115650 Specdb::NmrOneD 115651 Specdb::NmrOneD 115652 Specdb::NmrOneD 115653 Specdb::NmrOneD 115654 Specdb::NmrOneD 115655 Specdb::NmrOneD 115656 Specdb::NmrOneD 115657 Specdb::CMs 23237 Specdb::CMs 38324 Specdb::CMs 130682 Specdb::CMs 138416 Specdb::MsMs 317563 Specdb::MsMs 317564 Specdb::MsMs 317565 Specdb::MsMs 364057 Specdb::MsMs 364058 Specdb::MsMs 364059 Specdb::MsMs 2458073 Specdb::MsMs 2458074 Specdb::MsMs 2458075 Specdb::MsMs 2481061 Specdb::MsMs 2481062 Specdb::MsMs 2481063 HMDB02220 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