1.0 2016-09-30 23:23:26 UTC 2020-04-22 15:17:53 UTC BMDB0006565 BMDB06565 Sialyl-Lewis X SLex Sialyl lewisx Sialyl lewis-X Sialyl lex 3'-Sialyl-lewis X 3'-Sialyl-lewis-X tetrasaccharide 3'-SLeX a-NeuNAc-(2>3)-b-D-gal-(1>4)(a-L-fuc-[1>3])-D-glcnac alpha-NeuNAc-(2>3)-beta-delta-gal-(1>4)(a-L-fuc-[1>3])-delta-glcnac Sialyl lex tri SSEA 1 3 alpha Fucosyl N acetyl lactosamine 3 alpha-Fucosyl-N-acetyl lactosamine Antigen, lewis X Antigens, CD15 CD15 Antigen CD15 Antigens Embryonic antigen-1, stage-specific Galbeta(1-4)fucalpha(1-3)glcnac Hapten X Le(X) antigen Leu m1 antigens Leu-m1 antigens Lewis X antigen Lewis X hapten SSEA 1 determinant SSEA-1 SSEA-1 determinant Stage specific embryonic antigen 1 Stage-specific embryonic antigen-1 X Antigen, lewis X Hapten, lewis (2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-1,2-dihydroxy-5-[(1-hydroxyethylidene)amino]-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate C31H52N2O23 820.7442 820.29608598 (2S,4S,5R,6R)-5-acetamido-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid sialyl-lewis X 98603-84-0 [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 LAQPKDLYOBZWBT-NYLDSJSYSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamine and derivatives Amino acids Amino fatty acids Aminobenzamides Aminopyrimidines and derivatives Aniline and substituted anilines Azacyclic compounds Benzoyl derivatives Beta-keto acids and derivatives Carboxylic acid anhydrides Carboxylic acids Dicarboximides Gamma-amino ketones Gamma-keto acids and derivatives Glutamic acid and derivatives Heteroaromatic compounds Hippuric acids and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-substituted carboxylic acid imides Organic oxides Organopnictogen compounds Phenylalkylamines Pterins and derivatives Pyrazines Pyrimidones Secondary alkylarylamines Vinylogous amides Alpha-amino acid Amine Amino acid Amino fatty acid Aminobenzamide Aminobenzoic acid or derivatives Aminopyrimidine Aniline or substituted anilines Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoic acid or derivatives Benzoyl Beta-keto acid Carbonyl group Carboxylic acid Carboxylic acid anhydride Carboxylic acid imide Carboxylic acid imide, n-substituted Dicarboximide Fatty acyl Gamma-aminoketone Gamma-keto acid Glutamic acid or derivatives Glutamine or derivatives Heteroaromatic compound Hippuric acid or derivatives Hydrocarbon derivative Keto acid Ketone L-alpha-amino acid Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalkylamine Primary aliphatic amine Primary amine Pteridine Pterin Pyrazine Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -2.69 ALOGPS logs -1.26 ALOGPS logp -8.8 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,4S,5R,6R)-5-acetamido-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid ChemAxon average_mass 820.7442 ChemAxon mono_mass 820.29608598 ChemAxon smiles [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO ChemAxon formula C31H52N2O23 ChemAxon inchi InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 ChemAxon inchikey LAQPKDLYOBZWBT-NYLDSJSYSA-N ChemAxon polar_surface_area 410.71 ChemAxon refractivity 172 ChemAxon polarizability 77.51 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 23 ChemAxon donor_count 15 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 80872 Specdb::NmrOneD 80873 Specdb::NmrOneD 80874 Specdb::NmrOneD 80875 Specdb::NmrOneD 80876 Specdb::NmrOneD 80877 Specdb::NmrOneD 80878 Specdb::NmrOneD 80879 Specdb::NmrOneD 80880 Specdb::NmrOneD 80881 Specdb::NmrOneD 80882 Specdb::NmrOneD 80883 Specdb::NmrOneD 80884 Specdb::NmrOneD 80885 Specdb::NmrOneD 80886 Specdb::NmrOneD 80887 Specdb::NmrOneD 80888 Specdb::NmrOneD 80889 Specdb::NmrOneD 80890 Specdb::NmrOneD 80891 Specdb::MsMs 305947 Specdb::MsMs 305948 Specdb::MsMs 305949 Specdb::MsMs 349450 Specdb::MsMs 349451 Specdb::MsMs 349452 Specdb::MsMs 2665855 Specdb::MsMs 2665856 Specdb::MsMs 2665857 Specdb::MsMs 3012233 Specdb::MsMs 3012234 Specdb::MsMs 3012235 Specdb::CMs 791165 Specdb::CMs 791166 Specdb::CMs 791167 Specdb::CMs 791168 Specdb::CMs 791169 Specdb::CMs 791170 Specdb::CMs 791171 Specdb::CMs 791172 Specdb::CMs 791173 Specdb::CMs 791174 Specdb::CMs 791175 Specdb::CMs 791176 Specdb::CMs 791177 Specdb::CMs 791178 Specdb::CMs 791179 Specdb::CMs 791180 559072 FDB023975 643990 Sialyl-Lewis X Nashed, Mina A.; Musser, John H. A facile and regioselective synthesis of partially benzoylated 3',4'-O-isopropylidene-b-lactosides as standardized key intermediates for sialyl Lewis X (sLeX) analogs. Carbohydrate Research (1993), 250(2), C1-C4. BMDBP01890 P-selectin P42201 SELP Enzyme