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

ChEBI IDCHEBI:68439
ChEBI Nameβ-D-GalpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namebeta-D-GalpNAc-(1->3)-alpha-D-GalpNAc
DefinitionAn 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.
Last Modified13 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H28N2O11
Net Charge0
Average Mass424.403
Monoisotopic Mass424.16931
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=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
InChIInChI=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
InChIKeyFJGXDMQHNYEUHI-RWUFDMEESA-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-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  Source
2-acetamido-3-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-α-D-galactopyranoseIUPAC
GalNAcβ1-3GalNAcαChEBI
N-acetyl-β-D-galactosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
GalNAcb1-3GalNAcaChEBI
2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy-α-D-galactopyranoseChEBI
α-D-galactopyranose, 2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy-ChEBI
Manual XrefsDatabases
G26166QHGlyTouCan
G26166QHGlyGen
Registry NumbersSources
Reaxys:20449782Reaxys
Citations