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CHEBI:71562 - α-Neup5Ac-(2→3)-[α-Neup5Ac-(2→6)]-α-D-GalpNAc

ChEBI IDCHEBI:71562
ChEBI Nameα-Neup5Ac-(2→3)-[α-Neup5Ac-(2→6)]-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-[alpha-Neup5Ac-(2->6)]-alpha-D-GalpNAc
DefinitionA branched amino trisaccharide in which two N-acetyl-α-neuraminyl residues are linked (2→3) and (2→6) to an N-acetyl-α-D-galactosamine residue.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H49N3O22
Net Charge0
Average Mass803.721
Monoisotopic Mass803.28077
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O3)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C30H49N3O22/c1-9(36)31-17-12(39)4-29(27(47)48,53-23(17)20(43)14(41)6-34)51-8-16-22(45)25(19(26(46)52-16)33-11(3)38)55-30(28(49)50)5-13(40)18(32-10(2)37)24(54-30)21(44)15(42)7-35/h12-26,34-35,39-46H,4-8H2,1-3H3,(H,31,36)(H,32,37)(H,33,38)(H,47,48)(H,49,50)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24+,25+,26-,29+,30-/m0/s1
InChIKeyJHJJWKBGTKLJMJ-DODZNRSXSA-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-Neup5Ac-(2→3)-[α-Neup5Ac-(2→6)]-α-D-GalpNAc (CHEBI:71562) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-[α-Neup5Ac-(2→6)]-α-D-GalpNAc (CHEBI:71562) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→3)-[α-Neup5Ac-(2→6)]-α-D-GalpNAc (CHEBI:71562) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-[α-Neu5Ac-(2→6)]-α-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-[N-acetyl-α-neuraminyl-(2→6)]-N-acetyl-α-D-galactosamineChEBI
Neu5Acα2-3(Neu5Acα2-6)GalNAcαChEBI
Neu5Aca2-6(Neu5Aca2-3)GalNAcaChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)]-2-(acetylamino)-2-deoxy-α-D-galactopyranoseChEBI
Citations