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CHEBI:180479 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc

ChEBI IDCHEBI:180479
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-alpha-D-GalpNAc
DefinitionA branched amino pentasaccharide comprising a linear tetrasaccharide chain of α-N-acetylneuraminyl, β-D-galactose, N-acetyl-β-D-glucosamine and N-acetyl-α-D-galactosamine residues linked sequentially (2→6), (1→4) and (1→6), to the N-acetyl-α-D-galactosamine residue at the reducing end of which is also linked (1→3) a further β-D-galactose residue.
Last Modified17 September 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H65N3O29
Net Charge0
Average Mass1039.941
Monoisotopic Mass1039.37037
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)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/C39H65N3O29/c1-10(46)40-19-13(49)4-39(38(61)62,71-33(19)22(51)14(50)5-43)64-9-18-24(53)28(57)30(59)37(68-18)69-31-16(7-45)67-35(20(26(31)55)41-11(2)47)63-8-17-25(54)32(21(34(60)65-17)42-12(3)48)70-36-29(58)27(56)23(52)15(6-44)66-36/h13-37,43-45,49-60H,4-9H2,1-3H3,(H,40,46)(H,41,47)(H,42,48)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,39+/m0/s1
InChIKeyWNYNJECEPVUJBP-GWYJWTRDSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:180479) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:180479) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:180479) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[β-D-Gal-(1→3)]-α-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosamineChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-6(Galb1-3)GalNAcaChEBI
Neu5Acα2-6Galβ1-4GlcNAcβ1-6(Galβ1-3)GalNAcαIUPAC
Citations