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CHEBI:72471 - α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc

ChEBI IDCHEBI:72471
ChEBI Nameα-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5,9Ac2-(2->6)-beta-D-Galp-(1->3)-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→3) 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](CO)O[C@@H](O)[C@@H]3NC(C)=O)[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)49-23-19(39)14(6-31)46-25(20(23)40)47-21-16(29-9(2)33)24(41)45-13(5-30)18(21)38/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
InChIKeyZJQQBKBSYGTLDL-QJLSMRRYSA-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→6)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72471) has role epitope (CHEBI:53000)
α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72471) is a amino trisaccharide (CHEBI:59266)
α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:72471) 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→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
α-Neu5,9Ac2-(2→6)-β-D-Gal-(1→3)-β-D-GlcNAcChEBI
N,9-O-diacetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosamineChEBI
NeuAc(9Ac)α2-3Galβ1-3GlcNAcβChEBI
Neu5,9Ac2α2-3Galβ1-3GlcNAcβChEBI
Neu5,9Ac2a2-3Galb1-3GlcNAcbChEBI
Citations