CHEBI:90461 - α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1)(1−)

ChEBI IDCHEBI:90461
ChEBI Nameα-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1)(1−)
Stars
ASCII Namealpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1)(1-)
DefinitionAn anionic ganglioside that is the conjugate base of α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1) arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.
Last Modified20 March 2020
Submitternhn
DownloadsMolfile
FormulaC44H76N2O21R
Net Charge-1
Average Mass (excl. R groups)969.077
Monoisotopic Mass (excl. R groups)968.49406
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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1)(1−) (CHEBI:90461) is a α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-ceramide(1−) (CHEBI:79210)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1)(1−) (CHEBI:90461) is conjugate base of α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1) (CHEBI:90588)
Incoming Relation(s)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1) (CHEBI:90588) is conjugate acid of α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d20:1)(1−) (CHEBI:90461)
Synonyms  Source
ganglioside GM3(d20:1)(1−)SUBMITTER
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylicosasphing-4-enine(1−)ChEBI
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer(d20:1)(1−)ChEBI
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylicosasphingosine(1−)ChEBI
UniProt Name  Source
ganglioside GM3(d20:1(4E))UniProt
Citations