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:
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).
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)
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
FORSMANN ANTIGENPDBeChem
α-D-GalNAc-(1→3)-β-D-GalNAcChEBI
N-acetyl-α-D-galactosaminyl-(1→3)-N-acetyl-β-D-galactosamineChEBI
2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-galactopyranoseIUPAC
2-acetamido-3-O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-2-deoxy-β-D-galactopyranoseIUPAC
Forssman disaccharideChEBI
Manual XrefsDatabases
FSMPDBeChem
G97834OQGlyTouCan
G97834OQGlyGen
Registry NumbersSources
Reaxys:7800092Reaxys
Citations