CHEBI:42528 - α-D-GalNpAc-(1→3)-β-D-GalpNAc

ChEBI IDCHEBI:42528
ChEBI Nameα-D-GalNpAc-(1→3)-β-D-GalpNAc
Stars
ASCII Namealpha-D-GalNpAc-(1->3)-beta-D-GalpNAc
DefinitionAn α-D-GalpNAc-(1→3)-D-GalpNAc having β-configuration at the reducing end anomeric centre.
Last Modified7 May 2024
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-1b_1-5_2*NCC/3=O][a2112h-1a_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-LRFIHEIOSA-N
Roles Classification
Biological Roles:
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.
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
α-D-GalNpAc-(1→3)-β-D-GalpNAc (CHEBI:42528) has role antigen (CHEBI:59132)
α-D-GalNpAc-(1→3)-β-D-GalpNAc (CHEBI:42528) has role epitope (CHEBI:53000)
α-D-GalNpAc-(1→3)-β-D-GalpNAc (CHEBI:42528) is a α-D-GalpNAc-(1→3)-D-GalpNAc (CHEBI:60300)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranose
Synonyms  Source
2-acetamido-3-O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-2-deoxy-β-D-galactopyranoseIUPAC
2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-galactopyranoseIUPAC
2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-2-deoxy-β-D-galactopyranoseChEBI
N-acetyl-α-D-galactosaminyl-(1→3)-N-acetyl-β-D-galactosamineChEBI
FORSMANN ANTIGENPDBeChem
Forssman disaccharideChEBI
Manual XrefsDatabases
FSMPDBeChem
G97834OQGlyGen
G97834OQGlyTouCan
Registry NumbersSources
Reaxys:7800092Reaxys
Citations