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CHEBI:84943 - α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:84943
ChEBI Nameα-Neup5,9Ac2-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5,9Ac2-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionA linear amino trisaccharide comprising an N,9-O-diacetyl-α-neuraminyl residue (2→6)-linked to a β-D-galactosyl residue, which is in turn linked (1→4) to N-acetyl-β-D-glucosamine.
Last Modified24 April 2024
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@@](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
InChIInChI=1S/C27H44N2O20/c1-8(31)28-15-11(34)4-27(26(42)43,49-23(15)17(36)12(35)6-44-10(3)33)45-7-14-18(37)20(39)21(40)25(47-14)48-22-13(5-30)46-24(41)16(19(22)38)29-9(2)32/h11-25,30,34-41H,4-7H2,1-3H3,(H,28,31)(H,29,32)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,27+/m0/s1
InChIKeyFWTLIJVUGNVUON-ICTHHDDWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:84943) is a amino trisaccharide (CHEBI:59266)
α-Neup5,9Ac2-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:84943) 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→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N,9-O-diacetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
α-Neu5,9Ac2-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
NeuAc(9Ac)α2-6Galβ1-4GlcNAcβChEBI
Neu5,9Ac2α2-6Galβ1-4GlcNAcβChEBI
Neu5,9Ac2a2-6Galb1-4GlcNAcbChEBI
O-9-O-acetyl-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-glucopyranoseChEBI
Citations