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CHEBI:72599 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc

ChEBI IDCHEBI:72599
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-GalpNAc
DefinitionA linear amino tetrasaccharide comprising α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-β-D-galactosamine residues in a (2→6), (1→4) and (1→3) sequence. α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc in which the anomeric configuration of the GalNAc residue at the reducing end is β.
Last Modified7 May 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H55N3O24
Net Charge0
Average Mass877.800
Monoisotopic Mass877.31755
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](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]4NC(C)=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/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,60-28(17)20(45)13(44)5-37)54-8-16-21(46)24(49)25(50)31(57-16)58-26-15(7-39)56-30(18(23(26)48)35-10(2)41)59-27-19(36-11(3)42)29(51)55-14(6-38)22(27)47/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30-,31-,33+/m0/s1
InChIKeyJRHICIDFFZRYOW-JYGZWXAVSA-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)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc (CHEBI:72599) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc (CHEBI:72599) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc (CHEBI:72599) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc (CHEBI:72599) is a glucosamine oligosaccharide (CHEBI:22485)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-GalpNAc (CHEBI:72599) is a α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:85663)
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→3)-2-acetamido-2-deoxy-β-D-galactopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-β-D-galactosamineChEBI
NeuAcα2-6Galβ1-4GlcNAcβ1-3GalNAcβChEBI
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-GalNAcChEBI
Citations