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CHEBI:178031 - β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc

ChEBI IDCHEBI:178031
ChEBI Nameβ-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc
Stars
ASCII Namebeta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
DefinitionA branched amino heptasaccharide consisting of an N-acetyl-α-D-galactosamine residue to which are linked via (1→3) and (1→6) linkages two N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl trisaccharide units.
Last Modified30 August 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC52H87N5O36
Net Charge0
Average Mass1358.267
Monoisotopic Mass1357.51307
SMILESCC(=O)N[C@@H]1[C@@H](O[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)[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/C52H87N5O36/c1-13(64)53-25-35(74)30(69)18(6-58)83-48(25)92-44-32(71)20(8-60)85-51(39(44)78)89-41-22(10-62)87-47(27(37(41)76)55-15(3)66)81-12-24-34(73)43(29(46(80)82-24)57-17(5)68)91-50-28(56-16(4)67)38(77)42(23(11-63)88-50)90-52-40(79)45(33(72)21(9-61)86-52)93-49-26(54-14(2)65)36(75)31(70)19(7-59)84-49/h18-52,58-63,69-80H,6-12H2,1-5H3,(H,53,64)(H,54,65)(H,55,66)(H,56,67)(H,57,68)/t18-,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+,52+/m1/s1
InChIKeyWKRUVYQEKCJSGU-UBPILNOPSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:178031) is a amino heptasaccharide (CHEBI:70970)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:178031) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:178031) 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→3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)]-α-D-GalpNAcChEBI
GlcNAcb1-3Galb1-4GlcNAcb1-3(GlcNAcb1-3Galb1-4GlcNAcb1-6)GalNAcaChEBI
GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAcaChEBI
GlcNAcβ1-3Galβ1-4GlcNAcβ1-3(GlcNAcβ1-3Galβ1-4GlcNAcβ1-6)GalNAcαIUPAC
N-[(2S,3R,4R,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-6-{[(2R,3R,4R,5R,6S)-5-acetamido-4-{[(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}-3,6-dihydroxyoxan-2-yl]methoxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)]-N-acetyl-α-D-galactosamineChEBI
Citations