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CHEBI:75188 - α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-N-hexacosanoylceramide
| Formula | C62H117NO18 |
| Net Charge | 0 |
| Average Mass | 1164.607 |
| Monoisotopic Mass | 1163.82707 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 |
| InChIKey | YWHNDSBMLSKIRV-MMYBRHQRSA-N |
| Roles Classification |
|---|
| Biological Roles: | antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosyl-N-hexacosanoylceramide (CHEBI:75188) is a α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (CHEBI:18313) |
| IUPAC Name |
|---|
| N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
| Synonyms | Source |
|---|---|
| Gb3(18:1/26:0) | ChEBI |
| N-hexacosanoylglobotriaosyl ceramide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 3GB | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10327834 | Reaxys |
| Citations |
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