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CHEBI:82609 - α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer
| Formula | C89H147N6O55R |
| Net Charge | 0 |
| Average Mass (excl. R groups) | 2181.130 |
| Monoisotopic Mass (excl. R groups) | 2179.88903 |
| 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@]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@]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](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:82609) has role mouse metabolite (CHEBI:75771) |
| α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:82609) is a sialotetraosylceramide (CHEBI:36543) |
| α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:82609) is conjugate acid of α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(4−) (CHEBI:78572) |
| Incoming Relation(s) |
| α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(4−) (CHEBI:78572) is conjugate base of α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:82609) |
| Synonyms | Source |
|---|---|
| ganglioside GQ1b α | ChEBI |
| α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[α-N-acetylneuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→8)-α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine | ChEBI |
| α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[α-N-acetylneuraminosyl-(2→6)]-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→8)-α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide | ChEBI |
| ganglioside GQ1b alpha | ChEBI |
| (Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)4 (Cer)1 | KEGG GLYCAN |
| GQ1balpha | KEGG GLYCAN |
| Manual Xrefs | Databases |
|---|---|
| G00129 | KEGG GLYCAN |