EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90246 - α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−)

ChEBI IDCHEBI:90246
ChEBI Nameα-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−)
Stars
ASCII Namealpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer(2-)
DefinitionA ganglioside GD1(2−) obtained by deprotonation of the neuraminosyl carboxy groups of α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer; major species at pH 7.3.
Last Modified28 July 2020
Submitterlaimo
DownloadsMolfile
FormulaC52H82N4O39R2
Net Charge-2
Average Mass (excl. R groups)1387.213
Monoisotopic Mass (excl. R groups)1386.45562
SMILES[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([2*])=O
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−) (CHEBI:90246) is a ganglioside GD1(2−) (CHEBI:88057)
Incoming Relation(s)
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d18:0)(2−) (CHEBI:141647) is a α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−) (CHEBI:90246)
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d20:0)(2−) (CHEBI:141649) is a α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−) (CHEBI:90246)
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d20:1(4E))(2−) (CHEBI:141650) is a α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−) (CHEBI:90246)
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-α-neuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(t18:0)(2−) (CHEBI:141648) is a α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−) (CHEBI:90246)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−) (CHEBI:78569) is a α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-β-D-Gal-(1→4)-β-D-Glc-Cer(2−) (CHEBI:90246)
Synonyms  Source
GD1α(2−)SUBMITTER
α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[α-N-acetylneuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−)ChEBI
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer(2−)ChEBI
UniProt Name  Source
a ganglioside GD1αUniProt