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CHEBI:71998 - α-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc6S

ChEBI IDCHEBI:71998
ChEBI Nameα-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc6S
Stars
ASCII Namealpha-NeupNAc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S
DefinitionA linear amino trisaccharide consisting of a sialyl residue linked (2→6) to a galactosyl residue that in turn is linked (1→4) to an O-6-sulfated glucosaminyl residue at the reducing end.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H42N2O22S
Net Charge0
Average Mass754.670
Monoisotopic Mass754.19499
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]3COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C25H42N2O22S/c1-7(29)26-13-9(31)3-25(24(39)40,49-21(13)15(33)10(32)4-28)44-5-11-16(34)18(36)19(37)23(47-11)48-20-12(6-45-50(41,42)43)46-22(38)14(17(20)35)27-8(2)30/h9-23,28,31-38H,3-6H2,1-2H3,(H,26,29)(H,27,30)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1
InChIKeyPKSDBRRDHFCYJN-LURNZOHQSA-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-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:71998) has role epitope (CHEBI:53000)
α-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:71998) is a amino trisaccharide (CHEBI:59266)
α-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:71998) is a glucosamine oligosaccharide (CHEBI:22485)
α-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc6S (CHEBI:71998) is a oligosaccharide sulfate (CHEBI:37909)
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-6-O-sulfo-β-D-glucopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-6O-sulfo-β-D-glucosamineChEBI
α-NeuNAc-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc6SChEBI
α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-6O-sulfo-β-D-glucosamineChEBI
Neu5Acα2-6Galβ1-4(6OSO3)GlcNAcβChEBI
Neu5Aca2-6Galb1-4(6S)GlcNAcbChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose, 6-(hydrogen sulfate)ChEBI
Citations