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CHEBI:178030 - 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:178030
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc
Stars
ASCII Namebeta-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 pentasaccharide comprising a (1→3), (1→4), (1→6) sequence of N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine and (at the reducing end) N-acetyl-α-D-galactosamine residues, with the N-acetyl-α-D-galactosamine residue also carrying a β-D-galactose residue via a (1→3) linkage.
Last Modified30 August 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H61N3O26
Net Charge0
Average Mass951.879
Monoisotopic Mass951.35433
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
InChIInChI=1S/C36H61N3O26/c1-9(44)37-17-24(51)20(47)12(4-40)59-34(17)65-31-22(49)14(6-42)61-36(28(31)55)63-29-15(7-43)62-33(18(25(29)52)38-10(2)45)57-8-16-23(50)30(19(32(56)58-16)39-11(3)46)64-35-27(54)26(53)21(48)13(5-41)60-35/h12-36,40-43,47-56H,4-8H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+/m1/s1
InChIKeyUJZSJHGRLCCTDN-QQJOIHTKSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:178030) is a amino pentasaccharide (CHEBI:59268)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:178030) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:178030) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
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
β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-[β-D-Gal-(1→3)]-α-D-GalNAcChEBI
GlcNAcβ1-3Galβ1-4GlcNAcβ1-6(Galb1-3)GalNAcαChEBI
GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAcaChEBI
N-[(2S,3R,4R,5R,6R)-6-({[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,5-dihydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamideIUPAC
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