EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82945 - N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−)

ChEBI IDCHEBI:82945
ChEBI NameN-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−)
Stars
ASCII NameN-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-)
DefinitionAn anionic ganglioside arising from deprotonation of the neuraminosyl carboxy groups of N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide; major species at pH 7.3.
Secondary ChEBI IDCHEBI:141797
Last Modified18 October 2023
Submitterlaimo, nhn
DownloadsMolfile
FormulaC60H95N5O44R2
Net Charge-2
Average Mass (excl. R groups)1590.406
Monoisotopic Mass (excl. R groups)1589.53499
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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=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@]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
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:82945) is a anionic ganglioside (CHEBI:79346)
Incoming Relation(s)
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d18:0)(2−) (CHEBI:141799) is a N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:82945)
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d18:1(4E))(2−) (CHEBI:141798) is a N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:82945)
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d20:0)(2−) (CHEBI:141801) is a N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:82945)
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(d20:1(4E))(2−) (CHEBI:141802) is a N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:82945)
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(t18:0)(2−) (CHEBI:141800) is a N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:82945)
Synonyms  Source
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-NeuNAc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−)ChEBI
GalNAc-GD1a(2−)SUBMITTER
β-D-GalNAc-(1→4)-[α-NeuAc-(2→3)]-β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-NeuAc-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(2−)SUBMITTER
UniProt Name  Source
a ganglioside GalNAc-GD1aUniProt
Citations