1.0 2011-09-21 00:22:11 UTC 2015-07-21 06:57:26 UTC FDB022945 2-(Acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-hex-1-enitol 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087) [HMDB] C14H23NO10 365.3331 365.132195961 N-[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]acetamide N-[(4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-yl]acetamide 868264-13-5 [H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-8(3-17)13(9(6)19)25-14-12(22)11(21)10(20)7(2-16)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9-,10+,11+,12-,13-,14+/m1/s1 MIDRXTGJGROJRO-JFXDCXPESA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Acetamides Carbonyl compounds Hydrocarbon derivatives Monosaccharides Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Solid logp -2.22 ALOGPS logs -0.45 ALOGPS solubility 1.31e+02 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 12.13 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]acetamide ChemAxon average_mass 365.3331 ChemAxon mono_mass 365.132195961 ChemAxon smiles [H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O ChemAxon formula C14H23NO10 ChemAxon inchi InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-8(3-17)13(9(6)19)25-14-12(22)11(21)10(20)7(2-16)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9-,10+,11+,12-,13-,14+/m1/s1 ChemAxon inchikey MIDRXTGJGROJRO-JFXDCXPESA-N ChemAxon polar_surface_area 178.17 ChemAxon refractivity 79.19 ChemAxon polarizability 34.19 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 313252 Specdb::MsMs 313253 Specdb::MsMs 313254 Specdb::MsMs 358702 Specdb::MsMs 358703 Specdb::MsMs 358704 Specdb::MsMs 2355459 Specdb::MsMs 2355460 Specdb::MsMs 2355461 Specdb::MsMs 2606806 Specdb::MsMs 2606807 Specdb::MsMs 2606808 Specdb::CMs 21235 Specdb::CMs 38354 Specdb::CMs 135275 Specdb::CMs 143009 Specdb::NmrOneD 115958 Specdb::NmrOneD 115959 Specdb::NmrOneD 115960 Specdb::NmrOneD 115961 Specdb::NmrOneD 115962 Specdb::NmrOneD 115963 Specdb::NmrOneD 115964 Specdb::NmrOneD 115965 Specdb::NmrOneD 115966 Specdb::NmrOneD 115967 Specdb::NmrOneD 115968 Specdb::NmrOneD 115969 Specdb::NmrOneD 115970 Specdb::NmrOneD 115971 Specdb::NmrOneD 115972 Specdb::NmrOneD 115973 Specdb::NmrOneD 115974 Specdb::NmrOneD 115975 Specdb::NmrOneD 115976 Specdb::NmrOneD 115977 HMDB02282 #<Reference:0x000055ce31f347b0> 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