1.0 2011-09-21 00:38:25 UTC 2015-07-21 06:57:58 UTC FDB024009 Fucosyllactose Fucosyllactose is an oligosaccharide in human milk that may serve as an anti-inflammatory component and might therefore contribute to the lower incidence of inflammatory diseases in human milk-fed infants. (PMID 15583750) [HMDB] mono(6-deoxy-L-galactopyranoside 4-O-beta-D-galactopyranosyl-D-Glucose mono(6-deoxy-L-galactopyranoside 4-O-beta-delta-galactopyranosyl-delta-Glucose C18H32O15 488.4377 488.174120354 (2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-({[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol fucosyllactose 108795-32-0 CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 RTVRUWIBAVHRQX-PMEZUWKYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Solid logp -2.70 ALOGPS logs -0.11 ALOGPS solubility 3.76e+02 g/l ALOGPS logp -5.2 ChemAxon pka_strongest_acidic 11.77 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-({[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 488.4377 ChemAxon mono_mass 488.174120354 ChemAxon smiles CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ChemAxon formula C18H32O15 ChemAxon inchi InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 ChemAxon inchikey RTVRUWIBAVHRQX-PMEZUWKYSA-N ChemAxon polar_surface_area 237.45 ChemAxon refractivity 99.54 ChemAxon polarizability 46.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16589 Specdb::CMs 39056 Specdb::CMs 132721 Specdb::CMs 140455 Specdb::CMs 164334 Specdb::CMs 280467 Specdb::NmrOneD 88292 Specdb::NmrOneD 88293 Specdb::NmrOneD 88294 Specdb::NmrOneD 88295 Specdb::NmrOneD 88296 Specdb::NmrOneD 88297 Specdb::NmrOneD 88298 Specdb::NmrOneD 88299 Specdb::NmrOneD 88300 Specdb::NmrOneD 88301 Specdb::NmrOneD 88302 Specdb::NmrOneD 88303 Specdb::NmrOneD 88304 Specdb::NmrOneD 88305 Specdb::NmrOneD 88306 Specdb::NmrOneD 88307 Specdb::NmrOneD 88308 Specdb::NmrOneD 88309 Specdb::NmrOneD 88310 Specdb::NmrOneD 88311 Specdb::MsMs 302647 Specdb::MsMs 302648 Specdb::MsMs 302649 Specdb::MsMs 345424 Specdb::MsMs 345425 Specdb::MsMs 345426 Specdb::MsMs 3058585 Specdb::MsMs 3058586 Specdb::MsMs 3058587 Specdb::MsMs 3108134 Specdb::MsMs 3108135 Specdb::MsMs 3108136 HMDB06620 #<Reference:0x00007f093c18a7f8> #<Reference:0x00007f093c18a5a0> #<Reference:0x00007f093c18a3e8> 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