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CHEBI:65189 - 9-deoxy-9-acetamido-α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine

ChEBI IDCHEBI:65189
ChEBI Name9-deoxy-9-acetamido-α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine
Stars
ASCII Name9-deoxy-9-acetamido-alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
DefinitionAn amino trisaccharide consisting of a 9-deoxy-9-acetamido-N-acetyl-α-neuraminyl residue attached to the galactose residue of N-acetyllactosamine via an α-(2→6)-linkage.
Last Modified10 July 2012
SubmitterSteve
DownloadsMolfile
FormulaC27H45N3O19
Net Charge0
Average Mass715.659
Monoisotopic Mass715.26473
SMILES[H][C@@]1([C@H](O)[C@H](O)CNC(C)=O)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C27H45N3O19/c1-8(32)28-5-12(36)17(37)23-15(29-9(2)33)11(35)4-27(49-23,26(43)44)45-7-14-18(38)20(40)21(41)25(47-14)48-22-13(6-31)46-24(42)16(19(22)39)30-10(3)34/h11-25,31,35-42H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,27+/m0/s1
InChIKeyJJBUKMZTIWZKGT-ICTHHDDWSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
9-deoxy-9-acetamido-α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:65189) has role epitope (CHEBI:53000)
9-deoxy-9-acetamido-α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:65189) is a amino trisaccharide (CHEBI:59266)
9-deoxy-9-acetamido-α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:65189) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5,9-diacetamido-3,5,9-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
9-NAc-α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAcChEBI
9NAcNeu5Acα2-6Galβ1-4GlcNAcβChEBI
9-NAc-α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
Citations