1.0 2016-09-30 23:23:30 UTC 2020-04-22 15:17:54 UTC BMDB0006568 BMDB06568 Lewis X trisaccharide 3-Fucosyl-N-acetyllactosamine FAL Lewis X Lex Lex tri O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-D-glucose O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-delta-glucose N-[(2R,3R,4R,5R)-5,6-Dihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidate C20H35NO15 529.4896 529.200669455 N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide 71208-06-5 [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](NC(C)=O)C=O InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)35-17(8(3-22)21-7(2)25)18(9(26)4-23)36-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 ZAFUNKXZZPSTLA-MBKDEEHCSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Acetamides Aldehydes Alkyl glycosides Aminosaccharides Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Amino saccharide Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl glycoside of mono- or disaccharide Glycosyl compound 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 Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -2.26 ALOGPS logs -0.64 ALOGPS logp -6.4 ChemAxon pka_strongest_acidic 11.31 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide ChemAxon average_mass 529.4896 ChemAxon mono_mass 529.200669455 ChemAxon smiles [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](NC(C)=O)C=O ChemAxon formula C20H35NO15 ChemAxon inchi InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)35-17(8(3-22)21-7(2)25)18(9(26)4-23)36-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 ChemAxon inchikey ZAFUNKXZZPSTLA-MBKDEEHCSA-N ChemAxon polar_surface_area 265.16 ChemAxon refractivity 111.73 ChemAxon polarizability 49.26 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 315289 Specdb::MsMs 315290 Specdb::MsMs 315291 Specdb::MsMs 361228 Specdb::MsMs 361229 Specdb::MsMs 361230 Specdb::MsMs 2726207 Specdb::MsMs 2726208 Specdb::MsMs 2726209 Specdb::MsMs 2978768 Specdb::MsMs 2978769 Specdb::MsMs 2978770 Specdb::CMs 22204 Specdb::CMs 39043 Specdb::CMs 189329 Specdb::CMs 189330 Specdb::CMs 189331 Specdb::CMs 189332 Specdb::CMs 189333 Specdb::CMs 189334 Specdb::CMs 189335 Specdb::CMs 189336 Specdb::CMs 189337 Specdb::CMs 189338 Specdb::CMs 189339 Specdb::CMs 189340 Specdb::CMs 189341 Specdb::CMs 189342 Specdb::CMs 189343 Specdb::CMs 189344 Specdb::CMs 189345 Specdb::CMs 189346 Specdb::CMs 189347 Specdb::CMs 189348 Specdb::CMs 189349 Specdb::CMs 189350 Specdb::CMs 189351 Specdb::NmrOneD 80932 Specdb::NmrOneD 80933 Specdb::NmrOneD 80934 Specdb::NmrOneD 80935 Specdb::NmrOneD 80936 Specdb::NmrOneD 80937 Specdb::NmrOneD 80938 Specdb::NmrOneD 80939 Specdb::NmrOneD 80940 Specdb::NmrOneD 80941 Specdb::NmrOneD 80942 Specdb::NmrOneD 80943 Specdb::NmrOneD 80944 Specdb::NmrOneD 80945 Specdb::NmrOneD 80946 Specdb::NmrOneD 80947 Specdb::NmrOneD 80948 Specdb::NmrOneD 80949 Specdb::NmrOneD 80950 Specdb::NmrOneD 80951 2299860 FDB023976 3035680 Jacquinet, Jean Claude; Sinay, Pierre. Synthesis of blood-group substances. Part 7. Synthesis of the branched trisaccharide O-a-L-fucopyranosyl-(1®3)-[O-b-D-galactopyranosyl-(1®4)]-2-acetamido-2-deoxy-D-glucopyranose. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1979), (2), 314-18. BMDBP01616 Collectin-12 A6QP79 COLEC12 Enzyme BMDBP01890 P-selectin P42201 SELP Enzyme