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CHEBI:71945 - β-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:71945
ChEBI Nameβ-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-NeupNAc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionAn amino trisaccharide consisting of an N-acetyl-β-neuraminyl residue attached to the galactose residue of N-acetyllactosamine via an α-(2→6)-linkage.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H42N2O19
Net Charge0
Average Mass674.606
Monoisotopic Mass674.23818
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](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][Aad21122h-2b_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2
InChIInChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25-/m0/s1
InChIKeyRPSBVJXBTXEJJG-BOTDAAFFSA-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)
β-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71945) has role epitope (CHEBI:53000)
β-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71945) is a amino trisaccharide (CHEBI:59266)
β-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71945) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
β-N-acetylneuraminyl-2,6-β-D-galactosyl-1,4-N-acetyl-β-D-glucosamineChEBI
β-NeuNAc-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
Neu5Acβ2-6Galβ1-4GlcNAcβChEBI
Neu5Acb2-6Galβ1-4GlcNAcβChEBI
Neu5Acb2-6Galb1-4GlcNAcbChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-β-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
Manual XrefsDatabases
G34476JCGlyTouCan
G34476JCGlyGen
Citations