EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61730 - 9-O-Ac-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer

ChEBI IDCHEBI:61730
ChEBI Name9-O-Ac-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer
Stars
ASCII Name9-O-Ac-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
DefinitionA sialodiosylceramide consisting of the tetrasaccharide 9-O-acetyl-α-N-acetylneuraminyl-(2→8)-α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucose attached glycosidically to the primary hydroxy function of ceramide.
Last Modified4 December 2019
SubmitterSteve
DownloadsMolfile
FormulaC55H92N3O30R
Net Charge0
Average Mass (excl. R groups)1275.323
Monoisotopic Mass (excl. R groups)1274.57656
SMILES*C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[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](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)COC(C)=O)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
ChEBI Ontology
Outgoing Relation(s)
9-O-Ac-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:61730) is a sialodiosylceramide (CHEBI:36544)
IUPAC Name 
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms  Source
9-O-Ac-α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-CerChEBI
9-O-Ac-α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-CerChEBI
9-O-Acetyl-GD3KEGG GLYCAN
(Gal)1 (Glc)1 (Neu5Ac)1 (Neu5Ac9Ac)1 (Cer)1KEGG GLYCAN
9-O-Ac-GD3KEGG GLYCAN
CD60bKEGG GLYCAN
Manual XrefsDatabases
G00169KEGG GLYCAN
Citations