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CHEBI:178089 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc

ChEBI IDCHEBI:178089
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-alpha-D-GalpNAc
DefinitionA branched amino heptasaccharide comprising a linear hexasaccharide chain of α-N-acetylneuraminyl, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine and N-acetyl-α-D-galactosamine residues linked sequentially (2→3), (1→4), (1→3), (1→4), (1→6), to the N-acetyl-α-D-galactosamine residue at the reducing end of which is also linked (1→3) a further β-D-galactose residue.
Last Modified6 September 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC53H88N4O39
Net Charge0
Average Mass1405.276
Monoisotopic Mass1404.50257
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[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](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]6O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,95-43(25)29(70)18(69)6-58)96-45-32(73)21(9-61)88-51(39(45)80)92-41-23(11-63)90-48(27(35(41)76)56-15(3)66)94-44-31(72)20(8-60)87-50(38(44)79)91-40-22(10-62)89-47(26(34(40)75)55-14(2)65)84-12-24-33(74)42(28(46(81)85-24)57-16(4)67)93-49-37(78)36(77)30(71)19(7-59)86-49/h17-51,58-63,68-81H,5-12H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,82,83)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,53-/m0/s1
InChIKeyOMVWGEFQCPXFRT-OLMFWGFXSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:178089) is a amino heptasaccharide (CHEBI:70970)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:178089) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:178089) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[β-D-Gal-(1→3)]-α-D-GalNAcChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-6(Galβ1-3)GalNAcαIUPAC
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosamineChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAcaChEBI
Citations