EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136399 - N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group(2−)

ChEBI IDCHEBI:136399
ChEBI NameN-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group(2−)
Stars
ASCII NameN-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl group(2-)
DefinitionAn organic anionic group obtained by deprotonation of the carboxy groups of N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H43N2O21
Net Charge-2
Average Mass743.645
Monoisotopic Mass743.23693
SMILES*[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@@H](CO)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)O2)[C@H]1O
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group(2−) (CHEBI:136399) is a organic anionic group (CHEBI:64775)
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group(2−) (CHEBI:136399) is conjugate base of N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group (CHEBI:17483)
Incoming Relation(s)
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group (CHEBI:17483) is conjugate acid of N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl group(2−) (CHEBI:136399)
Manual XrefsDatabases
ALPHA-N-ACETYLNEURAMINYL-28-ETCETERAMetaCyc