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CHEBI:28424 - α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer
| Formula | C53H90N3O29R |
| Net Charge | 0 |
| Average Mass (excl. R groups) | 1233.287 |
| Monoisotopic Mass (excl. R groups) | 1232.56600 |
| 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](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 |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28424) has part α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-yl group (CHEBI:142532) |
| α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28424) has role human metabolite (CHEBI:77746) |
| α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28424) has role mouse metabolite (CHEBI:75771) |
| α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28424) is a sialodiosylceramide (CHEBI:36544) |
| α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28424) is conjugate acid of ganglioside GD3(2−) (CHEBI:78436) |
| Incoming Relation(s) |
| ganglioside GD3(2−) (CHEBI:78436) is conjugate base of α-Neu5NAc-(2→8)-α-Neu5NAc-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28424) |
| IUPAC Name |
|---|
| (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| GD3 | KEGG COMPOUND |
| alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramide | KEGG COMPOUND |
| NeuAc-alpha2->8NeuAc2->3Gal-beta1->4Glc-beta1->1'Cer | KEGG COMPOUND |
| NeuAc-alpha2->8NeuAc2->3LacCer | KEGG COMPOUND |
| NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer | KEGG COMPOUND |
| α-N-acetylneuraminosyl-(2→8)-α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramides | ChEBI |
| Citations |
|---|