EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72318 - α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:72318
ChEBI Nameα-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->6)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
DefinitionAn amino tetrasaccharide comprising an α-sialyl residue, two N-acetyl-β-D-glucosaminyl residues and an N-acetyl-D-glucosamine residue linked in a (2→6), (1→4) and (1→4) sequence.
Last Modified13 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC35H58N4O24
Net Charge0
Average Mass918.853
Monoisotopic Mass918.34410
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[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)O[C@@H]3CO)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C35H58N4O24/c1-10(43)36-19-14(47)5-35(34(55)56,63-30(19)23(49)15(48)6-40)57-9-18-24(50)25(51)21(38-12(3)45)32(60-18)62-29-17(8-42)59-33(22(27(29)53)39-13(4)46)61-28-16(7-41)58-31(54)20(26(28)52)37-11(2)44/h14-33,40-42,47-54H,5-9H2,1-4H3,(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H,55,56)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31?,32-,33-,35+/m0/s1
InChIKeyNBHYMOCQNBSIKE-OOKHPHJMSA-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→6)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72318) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72318) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72318) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→6)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamineChEBI
α-Neu5Ac-(2→6)-β-D-GlcNAc-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAcChEBI
Neu5Acα2-6GlcNAcβ1-4GlcNAcβ1-4GlcNAcChEBI
Neu5Aca2-6GlcNAcb1-4GlcNAcb1-4GlcNAcChEBI
Citations