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CHEBI:167635 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-α-D-GalpNAc

ChEBI IDCHEBI:167635
ChEBI Nameα-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-alpha-D-GalpNAc
DefinitionA linear amino tetrasaccharide consisting of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-glucosyl and N-acetyl-α-D-galactosamine residues linked sequentially (2→6), (1→4) and (1→6).
Last Modified15 March 2021
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](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[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/C33H55N3O24/c1-9(39)34-17-12(42)4-33(32(52)53,60-28(17)20(44)13(43)5-37)55-8-16-22(46)25(49)26(50)31(58-16)59-27-14(6-38)57-30(19(24(27)48)36-11(3)41)54-7-15-21(45)23(47)18(29(51)56-15)35-10(2)40/h12-31,37-38,42-51H,4-8H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(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
InChIKeyGBKKEZSPHOXCMH-DGUPPVILSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-α-D-GalpNAc (CHEBI:167635) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-α-D-GalpNAc (CHEBI:167635) 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)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
Neu5Acα2-6Galβ1-4GlcNAcβ1-6GalNAcαIUPAC
α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-α-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-N-acetyl-α-D-galactosamineChEBI
Neu5Aca2-6Galb1-4GlcNAcb1-6GalNAcaChEBI
Citations