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CHEBI:87787 - α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−)

Default Structure
ChEBI IDCHEBI:87787
ChEBI Nameα-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−)
Stars
ASCII Namealpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-)
DefinitionAn anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1c; major species at pH 7.3.
Last Modified18 October 2023
Submitterabridge
DownloadsMolfile
FormulaC67H111N4O39R
Net Charge-2
Average Mass (excl. R groups)1595.683
Monoisotopic Mass (excl. R groups)1595.68254
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]3O[C@H](CO)[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](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O6)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−) (CHEBI:87787) is a ganglioside GD1(2−) (CHEBI:88057)
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−) (CHEBI:87787) is a α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-ceramide(2−) (CHEBI:90856)
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−) (CHEBI:87787) is conjugate base of α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:87990)
Incoming Relation(s)
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-Gal-(1→3)-β-GalNAc-(1→4)-β-Gal-(1→4)-β-Glc-(1↔1')-Cer (CHEBI:87990) is conjugate acid of α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNac-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−) (CHEBI:87787)
Synonym  Source
ganglioside GD1c(2−)SUBMITTER
UniProt Name  Source
a ganglioside GD1c (d18:1(4E))UniProt