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CHEBI:190713 - β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp

ChEBI IDCHEBI:190713
ChEBI Nameβ-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp
Stars
ASCII Namebeta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp
DefinitionA branched amino tetrasaccharide comprising a chain of α-N-acetylneuraminyl, N-acetyl-β-D-glucosaminyl and β-D-galactose residues linked sequentially (2→6) and (1→3), to the N-acetyl-β-D-glucosaminyl residue of which is also attached via a β(1→3) linkage a futher D-galactosyl residue. A 5-aminopentyl linker may be attached to the oxygen at position 1 of the galactose residue.
Last Modified6 April 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H52N2O24
Net Charge0
Average Mass836.747
Monoisotopic Mass836.29100
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](O)O[C@H](CO)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C31H52N2O24/c1-8(37)32-15-10(39)3-31(30(49)50,57-25(15)17(41)11(40)4-34)51-7-14-20(44)24(55-29-22(46)21(45)18(42)12(5-35)53-29)16(33-9(2)38)28(54-14)56-26-19(43)13(6-36)52-27(48)23(26)47/h10-29,34-36,39-48H,3-7H2,1-2H3,(H,32,37)(H,33,38)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31+/m0/s1
InChIKeyIHIZXYXUJGLEEH-LVAQLIKBSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:190713) is a amino tetrasaccharide (CHEBI:59412)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:190713) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose
Synonyms  Source
β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GlcNAc-(1→3)-β-D-GalIUPAC
Galβ1-3(Neu5Acα2-6)GlcNAcβ1-3GalβIUPAC
N-acetyl-α-neuraminyl-(2→6)-[β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactoseChEBI
β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→6)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactoseChEBI
Citations