CHEBI:61052 - disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine

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ChEBI Name disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine ChEBI ID CHEBI:61052 ChEBI ASCII Name disodium 6-O-sulfonato-beta-D-glucosyl-(1->3)-[6-O-sulfonato-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->6)]-N-acetyl-beta-D-galactosamine Definition An organic sodium salt comprising the disodium salt of 6-O-sulfo-β-D-glucosyl-(1→3)-[6-O-sulfo-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H46N2Na2O27S2 Net Charge 0 Average Mass 952.77200 Monoisotopic Mass 952.15248 InChI InChI=1S/C28H48N2O27S2.2Na/c1-7(32)29-13-23(56-27-21(40)19(38)15(34)11(54-27)5-50-58(43,44)45)18(37)10(52-25(13)42)4-49-26-14(30-8(2)33)24(17(36)9(3-31)53-26)57-28-22(41)20(39)16(35)12(55-28)6-51-59(46,47)48;;/h9-28,31,34-42H,3-6H2,1-2H3,(H,29,32)(H,30,33)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/t9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28+;;/m1../s1 InChIKey FBWQYROMSQCSTM-XTBFJDAWSA-L SMILES [Na+].[Na+].CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]1O ChEBI Ontology Outgoing disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine (CHEBI:61052) has part 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine(2−) (CHEBI:61054) disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine (CHEBI:61052) is a organic sodium salt (CHEBI:38700) IUPAC Name disodium 6-O-sulfonato-β-D-glucopyranosyl-(1→3)-[6-O-sulfonato-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-galactopyranose Synonym Source Na2 6-O-O3S-β-D-Glc-(1→3)-[6-O-O3S-β-D-Glc-(1→3)-β-D-GlcNAc-(1→6)]-β-D-GalNAc ChEBI Citation Type Source 16164415 PubMed citation Europe PMC Last Modified 19 January 2011

General Comment 2011-01-19 Corresponds to part of a neoglycoconjuate related to the O-glycan of the circulating anode antigen from Schistosoma mansoni.