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CHEBI:71600 - α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-D-GalpNAc

ChEBI IDCHEBI:71600
ChEBI Nameα-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)]-D-GalpNAc
DefinitionA branched amino tetrasaccharide consisting of a linear sequence of α-neuraminyl, β-D-galactosyl and N-acetyl-D-galactosamine residues linked (2→3) and (1→6), to the N-acetyl-D-galactosamine residue of which is also linked (2→6) another α-neuraminyl residue.
Last Modified20 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H59N3O27
Net Charge0
Average Mass965.862
Monoisotopic Mass965.33359
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-3/a3-b1_a6-d2_b3-c2
InChIInChI=1S/C36H59N3O27/c1-10(43)37-19-13(46)4-35(33(56)57,64-28(19)22(50)15(48)6-40)60-9-18-25(53)27(21(31(55)61-18)39-12(3)45)63-32-26(54)30(24(52)17(8-42)62-32)66-36(34(58)59)5-14(47)20(38-11(2)44)29(65-36)23(51)16(49)7-41/h13-32,40-42,46-55H,4-9H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,56,57)(H,58,59)/t13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29+,30-,31?,32-,35+,36-/m0/s1
InChIKeyQDVVSMLRZUPDCM-NQXGSQGUSA-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)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-D-GalpNAc (CHEBI:71600) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-D-GalpNAc (CHEBI:71600) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-D-GalpNAc (CHEBI:71600) is a galactosamine oligosaccharide (CHEBI:22484)
Incoming Relation(s)
α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:71602) is a α-Neup5Ac-(2→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-D-GalpNAc (CHEBI:71600)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-Neu5Ac-(2→6)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→3)]-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→6)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)]-N-acetyl-D-glucosamineChEBI
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)[α-Neup5Ac-(2→6)]-D-GalpNAcChEBI
Neu5Acα2-3Galβ1-3(Neu5Acα2-6)GalNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→6)]-N-acetyl-D-glucosamineChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-D-GalNAcChEBI
Manual XrefsDatabases
G65191STGlyTouCan
G65191STGlyGen
Citations