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CHEBI:90178 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:90178
ChEBI Nameα-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc
DefinitionA linear amino tetrasaccharide comprising two N-acetyl-α-neuraminyl residues, a β-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2→8), (2→3) and (1→4).
Last Modified27 February 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H59N3O27
Net Charge0
Average Mass965.862
Monoisotopic Mass965.33359
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-3/a4-b1_b3-c2_c8-d2
InChIInChI=1S/C36H59N3O27/c1-10(44)37-19-13(47)4-35(33(56)57,64-28(19)22(50)15(49)6-40)63-17(8-42)24(52)29-20(38-11(2)45)14(48)5-36(65-29,34(58)59)66-30-23(51)16(7-41)61-32(26(30)54)62-27-18(9-43)60-31(55)21(25(27)53)39-12(3)46/h13-32,40-43,47-55H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,56,57)(H,58,59)/t13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-,31?,32-,35+,36-/m0/s1
InChIKeyKDBMBIBKXFYIJT-FQBRDTKDSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90178) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90178) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
Neu5Acα2-8Neu5Acα2-3Galβ1-4GlcNAcChEBI
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl--D-glucosamineChEBI
α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-D-GlcNAcChEBI
Neu5Aca2-8Neu5Aca2-3Galb1-4GlcNAcChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Manual XrefsDatabases
G84350SHGlyTouCan
G84350SHGlyGen
Citations