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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc
ChEBI ID CHEBI:68442
ChEBI ASCII Name beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H48N2O21
Net Charge 0
Average Mass 748.68150
Monoisotopic Mass 748.27496
InChI InChI=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
InChIKey FMSSZPMMIOUOPR-IUCDCWRCSA-N
SMILES CC(=O)N[C@H]1[C@H](O)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
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-DGal-(1→4)-β-D-GlcNAc JCBN
GalNAcb1-3Gala1-4Galb1-4GlcNAcb ChEBI
GalNAcβ1-3Galα1-4Galβ1-4GlcNAcβ ChEBI
N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine ChEBI
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-glucopyranose ChEBI
WURCS=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 GlyTouCan
Manual Xrefs Databases
G29548YX GlyTouCan
G29548YX GlyGen
View more database links
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
Last Modified
26 April 2023