CHEBI:59357 - β-D-GalpNAc-(1→4)-α-D-GalpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GalpNAc-(1→4)-α-D-GalpNAc
ChEBI ID CHEBI:59357
ChEBI ASCII Name beta-D-GalpNAc-(1->4)-alpha-D-GalpNAc
Definition An amino disaccharide consisting of N-acetyl-α-D-galactosamine having an N-acetyl-D-galactosaminyl residue attached at the 4-position via a β-linkage. Important epitope forming part of the O-polysaccharides of some Gram-negative bacteria.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H28N2O11
Net Charge 0
Average Mass 424.40030
Monoisotopic Mass 424.16931
InChI InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12-,13-,14+,15+,16+/m1/s1
InChIKey CDOJPCSDOXYJJF-IZXYEPCWSA-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](O)[C@H]2NC(C)=O)[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→4)-α-D-GalpNAc (CHEBI:59357) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→4)-α-D-GalpNAc (CHEBI:59357) is a amino disaccharide (CHEBI:22480)
IUPAC Name
β-D-2-acetamido-2-deoxy-galactopyranosyl-(1→4)-α-D-2-acetamido-2-deoxy-galactopyranose
Synonyms Sources
2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-α-D-galactopyranose IUPAC
β-D-GalNAc-(1→4)-α-D-GalNAc ChEBI
GalNAcβ1-4GalNAcα ChEBI
WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2/a4-b1 GlyTouCan
Manual Xrefs Databases
G97542CQ GlyTouCan
G97542CQ GlyGen
View more database links
Citation Waiting for Citations Type Source
16736109 PubMed citation Europe PMC
Last Modified
07 April 2021