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CHEBI:72472 - α-Neup5,9Ac2-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:72472
ChEBI Nameα-Neup5,9Ac2-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5,9Ac2-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionA linear amino trisaccharide comprising an N,9-O-diacetyl-α-neuraminyl residue (2→3)-linked to a β-D-galactosyl residue, which is in turn linked (1→4) to N-acetyl-β-D-glucosamine.
Last Modified3 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44N2O20
Net Charge0
Average Mass716.643
Monoisotopic Mass716.24874
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(C)=O)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C27H44N2O20/c1-8(32)28-15-11(35)4-27(26(42)43,48-22(15)17(37)12(36)7-44-10(3)34)49-23-18(38)13(5-30)46-25(20(23)40)47-21-14(6-31)45-24(41)16(19(21)39)29-9(2)33/h11-25,30-31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,25-,27-/m0/s1
InChIKeyCQJCWCSUDWYBDG-BJHNEYRISA-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-Neup5,9Ac2-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:72472) has role epitope (CHEBI:53000)
α-Neup5,9Ac2-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:72472) is a amino trisaccharide (CHEBI:59266)
α-Neup5,9Ac2-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:72472) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N,9-O-diacetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
α-Neu5,9Ac2-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
NeuAc(9Ac)α2-3Galβ1-4GlcNAcβChEBI
Neu5,9Ac2a2-3Galb1-4GlcNAcbChEBI
Neu5,9Ac2α2-3Galβ1-4GlcNAcβChEBI
Citations