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CHEBI:87788 - β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer(3−)

Default Structure
ChEBI IDCHEBI:87788
ChEBI Nameβ-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer(3−)
Stars
ASCII Namebeta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer(3-)
DefinitionAn anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GT2; major species at pH 7.3.
Last Modified26 September 2023
Submitterabridge
DownloadsMolfile
FormulaC72H117N5O42R
Net Charge-3
Average Mass (excl. R groups)1724.711
Monoisotopic Mass (excl. R groups)1723.71731
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]3NC(C)=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](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
ChEBI Ontology
Outgoing Relation(s)
β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer(3−) (CHEBI:87788) is a N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→8)-N-acetyl-α-neuraminosyl-(2→8)-N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(3−) (CHEBI:141748)
β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer(3−) (CHEBI:87788) is a trisialotriglycosylceramide(3−) (CHEBI:88078)
β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer(3−) (CHEBI:87788) is conjugate base of β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer (CHEBI:61732)
Incoming Relation(s)
β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer (CHEBI:61732) is conjugate acid of β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1→1')-Cer(3−) (CHEBI:87788)
Synonym  Source
ganglioside GT2(3−)SUBMITTER
UniProt Name  Source
a ganglioside GT2 (d18:1(4E))UniProt