EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90169 - α-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:90169
ChEBI Nameα-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->8)-alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc
DefinitionA linear amino tetrasaccharide comprising an α-N-acetylneuraminyl residue, an α-N-glycoloylneuraminyl residue, 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
FormulaC36H59N3O28
Net Charge0
Average Mass981.861
Monoisotopic Mass981.32851
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(=O)CO)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C36H59N3O28/c1-10(45)37-19-12(47)3-35(33(57)58,65-28(19)22(51)14(49)5-40)64-16(7-42)24(53)29-20(39-18(50)9-44)13(48)4-36(66-29,34(59)60)67-30-23(52)15(6-41)62-32(26(30)55)63-27-17(8-43)61-31(56)21(25(27)54)38-11(2)46/h12-17,19-32,40-44,47-49,51-56H,3-9H2,1-2H3,(H,37,45)(H,38,46)(H,39,50)(H,57,58)(H,59,60)/t12-,13-,14+,15+,16+,17+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-,31?,32-,35+,36-/m0/s1
InChIKeyLFSRTBCQYLOLDP-NXQFGNLWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90169) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→8)-α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:90169) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-3,5-dideoxy-5-(glycoloylamino)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-Neu5Ac-(2→8)-α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-D-GlcNAcChEBI
Neu5Aca2-8Neu5Gca2-3Galb1-4GlcNAcChEBI
Neu5Acα2-8Neu5Gcα2-3Galβ1-4GlcNAcChEBI
α-N-acetylneuraminyl-(2→8)-α-N-glycoloylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
N-acetyl-α-neuraminyl-(2→8)-N-glycoloyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl--D-glucosamineChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranoseChEBI
Citations