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CHEBI:16565 - α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group

ChEBI IDCHEBI:16565
ChEBI Nameα-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group
Stars
ASCII Namealpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group
DefinitionAn N-acetyl-D-galactosaminyl group in which a sialic acid residue (Neu5Ac) is linked α(2→3) to a galactose residue which is in turn linked β(1→3) to the D-GalNAc group which has α-configuration at its anomeric centre.
Secondary ChEBI IDsCHEBI:10307, CHEBI:12297, CHEBI:22431
Last Modified27 January 2016
DownloadsMolfile
FormulaC25H41N2O18
Net Charge0
Average Mass657.599
Monoisotopic Mass657.23544
SMILES*[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](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
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group (CHEBI:16565) has role human metabolite (CHEBI:77746)
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group (CHEBI:16565) has role mouse metabolite (CHEBI:75771)
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group (CHEBI:16565) is a N-acetyl-D-galactosaminyl group (CHEBI:21507)
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group (CHEBI:16565) is conjugate acid of α-N-acetylneuraminyl-2,3-β-D-galactosyl-1,3-N-acetyl-α-D-galactosaminyl group(1−) (CHEBI:60068)
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group (CHEBI:16565) is substituent group from α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc (CHEBI:65257)
Incoming Relation(s)
α-N-acetylneuraminyl-2,3-β-D-galactosyl-1,3-N-acetyl-α-D-galactosaminyl group(1−) (CHEBI:60068) is conjugate base of α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl group (CHEBI:16565)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranosyl
Synonyms  Source
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-RKEGG COMPOUND
Neu5Ac-(α2,3)-Gal-(β1,3)-GalNAc-(α1)ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-α-D-GalNAcChEBI
α-N-acetylneuraminyl-2,3-β-D-galactosyl-1,3-N-acetyl-α-D-galactosaminyl groupChEBI
Neu5Acα2-3Galβ1-3GalNAcα-ChEBI
Manual XrefsDatabases
C04901KEGG COMPOUND
G00026KEGG GLYCAN
Citations