CHEBI:68439 - β-D-GalpNAc-(1→3)-α-D-GalpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GalpNAc-(1→3)-α-D-GalpNAc
ChEBI ID CHEBI:68439
ChEBI ASCII Name beta-D-GalpNAc-(1->3)-alpha-D-GalpNAc
Definition An amino disaccharide comprised of N-acetyl-α-D-galactosamine having an N-acetyl-D-galactosaminyl residue attached at the 3-position via a β-linkage.
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)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/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 FJGXDMQHNYEUHI-RWUFDMEESA-N
SMILES CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
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-GalpNAc (CHEBI:68439) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→3)-α-D-GalpNAc (CHEBI:68439) is a amino disaccharide (CHEBI:22480)
IUPAC Name
β-D-2-acetamido-2-deoxy-galactopyranosyl-(1→3)-α-D-2-acetamido-2-deoxy-galactopyranose
Synonyms Sources
2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy-α-D-galactopyranose ChEBI
2-acetamido-3-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-α-D-galactopyranose IUPAC
α-D-galactopyranose, 2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy- ChEBI
GalNAcb1-3GalNAca ChEBI
GalNAcβ1-3GalNAcα ChEBI
N-acetyl-β-D-galactosaminyl-(1→3)-N-acetyl-α-D-galactosamine 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/a3-b1 GlyTouCan
Manual Xrefs Databases
G26166QH GlyTouCan
G26166QH GlyGen
View more database links
Registry Number Type Source
20449782 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19443021 PubMed citation Europe PMC
25568069 PubMed citation Europe PMC
31537530 PubMed citation Europe PMC
36988069 PubMed citation Europe PMC
Last Modified
13 May 2024