CHEBI:232035 - 3-O-{[N-acetyl-α-neuraminosyl-(2→3)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-α-D-galactosaminyl}-L-threonine(2−) residue

ChEBI IDCHEBI:232035
ChEBI Name3-O-{[N-acetyl-α-neuraminosyl-(2→3)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-α-D-galactosaminyl}-L-threonine(2−) residue
Stars
ASCII Name3-O-{[N-acetyl-alpha-neuraminosyl-(2->3)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine(2-) residue
DefinitionAn L-α amino acid residue obtained by deprotonation of the carboxy groups of 3-O-{[N-acetyl-α-neuraminosyl-(2→3)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-α-D-galactosaminyl}-L-threonine residue; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC48H75N5O33
Net Charge-2
Average Mass1250.130
Monoisotopic Mass1249.43553
SMILES*N[C@H](C(*)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H]1NC(C)=O
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)
3-O-{[N-acetyl-α-neuraminosyl-(2→3)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-α-D-galactosaminyl}-L-threonine(2−) residue (CHEBI:232035) has functional parent L-threonine residue (CHEBI:30013)
3-O-{[N-acetyl-α-neuraminosyl-(2→3)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-α-D-galactosaminyl}-L-threonine(2−) residue (CHEBI:232035) has role epitope (CHEBI:53000)
3-O-{[N-acetyl-α-neuraminosyl-(2→3)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-α-D-galactosaminyl}-L-threonine(2−) residue (CHEBI:232035) is a L-α-amino acid residue (CHEBI:83228)
UniProt Name  Source
a 3-O-{[α-Neu5Ac-(2→3)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-α-D-GalNAc}-L-threonine residueUniProt
Citations