1.0 2016-09-30 23:24:05 UTC 2020-04-22 15:18:04 UTC BMDB0006606 BMDB06606 3'-Sialyl-3-fucosyllactose 3-Sialyl-3-fucosyllactose O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucose O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-glucose (2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate C29H49NO23 779.6923 779.269536879 (2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid 122560-33-2 [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=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](O)C=O InChI=1S/C29H49NO23/c1-8-16(40)19(43)20(44)26(48-8)50-22(12(38)5-32)23(13(39)6-33)51-27-21(45)25(18(42)14(7-34)49-27)53-29(28(46)47)3-10(36)15(30-9(2)35)24(52-29)17(41)11(37)4-31/h5,8,10-27,31,33-34,36-45H,3-4,6-7H2,1-2H3,(H,30,35)(H,46,47)/t8-,10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1 FNCPZGGSTQEGGK-DRSOAOOLSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Oligosaccharides Acetals Alkyl glycosides Alpha-hydroxyaldehydes Beta-hydroxy aldehydes Carboximidic acids Cyclitols and derivatives Dialkyl peroxides Hydrocarbon derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Carboximidic acid Carboximidic acid derivative Cyclitol or derivatives Dialkyl peroxide Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Oligosaccharide Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.61 ALOGPS logs -0.99 ALOGPS logp -8.5 ChemAxon pka_strongest_acidic 2.84 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid ChemAxon average_mass 779.6923 ChemAxon mono_mass 779.269536879 ChemAxon smiles [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=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](O)C=O ChemAxon formula C29H49NO23 ChemAxon inchi InChI=1S/C29H49NO23/c1-8-16(40)19(43)20(44)26(48-8)50-22(12(38)5-32)23(13(39)6-33)51-27-21(45)25(18(42)14(7-34)49-27)53-29(28(46)47)3-10(36)15(30-9(2)35)24(52-29)17(41)11(37)4-31/h5,8,10-27,31,33-34,36-45H,3-4,6-7H2,1-2H3,(H,30,35)(H,46,47)/t8-,10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1 ChemAxon inchikey FNCPZGGSTQEGGK-DRSOAOOLSA-N ChemAxon polar_surface_area 401.84 ChemAxon refractivity 160.9 ChemAxon polarizability 71.64 ChemAxon rotatable_bond_count 17 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::CMs 65390 Specdb::CMs 784799 Specdb::CMs 784800 Specdb::CMs 784801 Specdb::CMs 784802 Specdb::CMs 784803 Specdb::CMs 784804 Specdb::CMs 784805 Specdb::CMs 784806 Specdb::CMs 784807 Specdb::CMs 784808 Specdb::CMs 784809 Specdb::CMs 784810 Specdb::CMs 784811 Specdb::CMs 784812 Specdb::CMs 784813 Specdb::CMs 784814 Specdb::CMs 784815 Specdb::CMs 784816 Specdb::CMs 784817 Specdb::CMs 784818 Specdb::CMs 784819 Specdb::CMs 784820 Specdb::CMs 784821 Specdb::CMs 784822 Specdb::MsMs 302221 Specdb::MsMs 302222 Specdb::MsMs 302223 Specdb::MsMs 344899 Specdb::MsMs 344900 Specdb::MsMs 344901 Specdb::MsMs 2723112 Specdb::MsMs 2723113 Specdb::MsMs 2723114 Specdb::MsMs 2955420 Specdb::MsMs 2955421 Specdb::MsMs 2955422 Specdb::NmrOneD 88092 Specdb::NmrOneD 88093 Specdb::NmrOneD 88094 Specdb::NmrOneD 88095 Specdb::NmrOneD 88096 Specdb::NmrOneD 88097 Specdb::NmrOneD 88098 Specdb::NmrOneD 88099 Specdb::NmrOneD 88100 Specdb::NmrOneD 88101 Specdb::NmrOneD 88102 Specdb::NmrOneD 88103 Specdb::NmrOneD 88104 Specdb::NmrOneD 88105 Specdb::NmrOneD 88106 Specdb::NmrOneD 88107 Specdb::NmrOneD 88108 Specdb::NmrOneD 88109 Specdb::NmrOneD 88110 Specdb::NmrOneD 88111 30776584 FDB023999 53477869 88442 Dinh, Quang; Weng, Nan-Ping; Kiso, Makoto; Ishida, Hideharu; Hasegawa, Akira; Marcus, Donald M. High affinity antibodies against Lex and sialyl Lex from a phage display library. Journal of Immunology (1996), 157(2), 732-738.