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CHEBI:71669 - α-Neup5Ac-(2→6)-β-D-GalpNAc-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:71669
ChEBI Nameα-Neup5Ac-(2→6)-β-D-GalpNAc-(1→4)-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc
DefinitionA linear amino trisaccharide comprising α-neuraminyl, N-acetyl-β-D-galactosaminyl and N-acetyl-β-D-glucosamine residues linked sequentially (2→6) and (1→4).
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H45N3O19
Net Charge0
Average Mass715.659
Monoisotopic Mass715.26473
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)O[C@@H]3CO)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2
InChIInChI=1S/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-19(39)20(40)17(30-10(3)35)25(47-14)48-22-13(6-32)46-24(42)16(21(22)41)29-9(2)34/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25-,27+/m0/s1
InChIKeyLDPRACDVBWJXGZ-HWDXGXKHSA-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-GalpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71669) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-β-D-GalpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71669) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→6)-β-D-GalpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71669) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→6)-β-D-GalpNAc-(1→4)-β-D-GlcpNAc (CHEBI:71669) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-nonulopyranosylonic acid)-(2→6)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
α-Neu5Ac-(2→6)-β-D-GalNAc-(1→4)-β-D-GlcNAcChEBI
Neu5Acα2-6GalNAcβ1-4GlcNAcβChEBI
N-acetyl-α-neuraminyl-(2→6)-N-acetyl-β-D-galactosaminyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
Neu5Aca2-6GalNAcb1-4GlcNAcbChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
Manual XrefsDatabases
G54118CTGlyTouCan
G54118CTGlyGen
Citations