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CHEBI:68445 - β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:68445
ChEBI Nameβ-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Glcp
DefinitionAn amino hexasaccharide consisting of N-acetyl-α-D-galactosamine, α-D-galactose, β-D-galactose, N-acetyl-α-D-glucosamine, β-D-galactose, and β-D-glucose residues joined in sequence with (1→3)-, (1→4)-, (1→4)-, (1→3)- and (1→4)-linkages, respectively.
Last Modified13 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H68N2O31
Net Charge0
Average Mass1072.967
Monoisotopic Mass1072.38060
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[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]2O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-4-5/a4-b1_b3-c1_c4-d1_d4-e1_e3-f1
InChIInChI=1S/C40H68N2O31/c1-9(49)41-17-22(54)19(51)11(3-43)64-36(17)72-33-20(52)12(4-44)66-40(28(33)60)71-32-16(8-48)68-38(27(59)25(32)57)69-30-15(7-47)67-37(18(23(30)55)42-10(2)50)73-34-21(53)13(5-45)65-39(29(34)61)70-31-14(6-46)63-35(62)26(58)24(31)56/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,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-/m1/s1
InChIKeyJSTRQTLFANUPRM-MORNPNOVSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Glcp (CHEBI:68445) is a amino hexasaccharide (CHEBI:61855)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Glcp (CHEBI:68445) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Glcp (CHEBI:68445) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
GalNAcβ1-3Galα1-4Galβ1-4GlcNAcβ1-3Galα1-4GlcβChEBI
N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine-(1→3)-α-D-galactosyl-(1→4)-β-D-glucoseChEBI
β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-DGal-(1→4)-β-D-GlcNAc-(1→3)-α-D-Gal-(1→4)-β-D-GlcChEBI
GalNAcb1-3Gala1-4Galb1-4GlcNAcb1-3Galb1-4GlcbChEBI
Manual XrefsDatabases
G13058JIGlyTouCan
G13058JIGlyGen
Citations