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CHEBI:90404 - 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:90404
ChEBI Nameβ-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 Namebeta-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 hexasaccharide comprising a linear pentasaccharide chain of 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 (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 Modified12 March 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H71N3O31
Net Charge0
Average Mass1114.020
Monoisotopic Mass1113.40715
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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
WURCSWURCS=2.0/3,6,5/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_a6-c1_c4-d1_d3-e1_e4-f1
InChIInChI=1S/C42H71N3O31/c1-10(51)43-19-26(58)33(16(7-49)71-38(19)66-9-18-25(57)35(21(37(65)67-18)45-12(3)53)75-41-31(63)29(61)23(55)14(5-47)69-41)74-42-32(64)36(24(56)15(6-48)70-42)76-39-20(44-11(2)52)27(59)34(17(8-50)72-39)73-40-30(62)28(60)22(54)13(4-46)68-40/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,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+/m1/s1
InChIKeyCYZKFFTVAYTWGX-BJBHAAEYSA-N
ChEBI Ontology
Outgoing Relation(s)
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:90404) is a amino hexasaccharide (CHEBI:61855)
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:90404) is a galactosamine oligosaccharide (CHEBI:22484)
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:90404) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
β-D-galactopyranosyl-(1→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)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
Galβ1-3(Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-6)GalNAcαIUPAC
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-galactosamineIUPAC
Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-6(Galβ1-3)GalNAcαIUPAC
β-D-galactosyl-(1→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)]-N-acetyl-α-D-galactosamineIUPAC
Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAcaIUPAC
O-β-D-galactopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-(acetylamino)-2-deoxy-α-D-galactopyranoseChEBI
Manual XrefsDatabases
G86537ADGlyTouCan
G86537ADGlyGen
Citations