CHEBI:61045 - sodium N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine

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ChEBI Name sodium N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine ChEBI ID CHEBI:61045 ChEBI ASCII Name sodium N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine Definition An organic sodium salt comprising the monosodium salt of N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfo-β-D-glucosyl-(1→3)]-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 C22H37N2NaO19S Net Charge 0 Average Mass 688.58600 Monoisotopic Mass 688.16089 InChI InChI=1S/C22H38N2O19S.Na/c1-6(26)23-11-16(31)13(28)8(3-25)41-21(11)38-4-9-15(30)19(12(20(34)40-9)24-7(2)27)43-22-18(33)17(32)14(29)10(42-22)5-39-44(35,36)37;/h8-22,25,28-34H,3-5H2,1-2H3,(H,23,26)(H,24,27)(H,35,36,37);/q;+1/p-1/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19-,20-,21-,22+;/m1./s1 InChIKey BZKDTXZLXUULRO-GDZJUOCTSA-M SMILES [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]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 sodium N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61045) has part N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61046) sodium N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61045) is a organic sodium salt (CHEBI:38700) IUPAC Name sodium 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→6)-[6-O-sulfonato-β-D-glucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-galactopyranose Synonyms Sources Na β-D-GalNAc-(1→6)-[6-O-O3S-β-D-Glc-(1→3)]-β-D-GalNAc ChEBI Na β-D-GalpNAc-(1→6)-[6-O-O3S-β-D-Glcp-(1→3)]-β-D-GalpNAc ChEBI sodium 2-acetamido-2-deoxy-β-D-galactosyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-2-acetamido-2-deoxy-β-D-galactose ChEBI Citation Type Source 16164415 PubMed citation Europe PMC Last Modified 18 January 2011

General Comment 2011-01-18 Corresponds to part of a neoglycoconjuate related to the O-glycan of the circulating anode antigen from Schistosoma mansoni.