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CHEBI:68442 - β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:68442
ChEBI Nameβ-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionA linear amino tetrasaccharide composed of N-acetyl-β-D-galactosamine, α-D-galactose, β-D-galactose and N-acetyl-β-D-galactosamine units joined by sequential (1→3)-, (1→4)- and (1→4)-linkages.
Last Modified13 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@@H]1[C@@H](O)[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](CO)O[C@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d1
InChIInChI=1S/C28H48N2O21/c1-7(35)29-13-18(40)22(11(5-33)45-25(13)44)49-27-20(42)19(41)23(12(6-34)48-27)50-28-21(43)24(16(38)10(4-32)47-28)51-26-14(30-8(2)36)17(39)15(37)9(3-31)46-26/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-/m1/s1
InChIKeyFMSSZPMMIOUOPR-IUCDCWRCSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:68442) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:68442) is a amino tetrasaccharide (CHEBI:59412)
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-glucopyranose
Synonyms  Source
β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-DGal-(1→4)-β-D-GlcNAcJCBN
N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
GalNAcβ1-3Galα1-4Galβ1-4GlcNAcβChEBI
GalNAcb1-3Gala1-4Galb1-4GlcNAcbChEBI
O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→3)-O-α-D-galactopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
β-D-glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→3)-O-α-D-galactopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-ChEBI
Manual XrefsDatabases
G29548YXGlyTouCan
G29548YXGlyGen
Citations