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CHEBI:166878 - (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-icosanamido-N-(6-phenylhexyl)octanamide
| Formula | C46H82N2O10 |
| Net Charge | 0 |
| Average Mass | 823.166 |
| Monoisotopic Mass | 822.59695 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCc1ccccc1 |
| InChI | InChI=1S/C46H82N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-31-41(52)48-37(35-57-46-45(56)44(55)43(54)39(34-49)58-46)42(53)38(50)30-26-32-40(51)47-33-25-19-18-21-27-36-28-22-20-23-29-36/h20,22-23,28-29,37-39,42-46,49-50,53-56H,2-19,21,24-27,30-35H2,1H3,(H,47,51)(H,48,52)/t37-,38+,39+,42-,43-,44-,45+,46-/m0/s1 |
| InChIKey | XSVXHEMLPLUNSG-DOWKDNTMSA-N |
| Roles Classification |
|---|
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-icosanamido-N-(6-phenylhexyl)octanamide (CHEBI:166878) has role epitope (CHEBI:53000) |
| (5R,6S,7S)-5,6-dihydroxy-8-(α-D-galactosyloxy)-7-icosanamido-N-(6-phenylhexyl)octanamide (CHEBI:166878) is a α-galactosylsphingamide (CHEBI:139111) |
| IUPAC Name |
|---|
| (5R,6S,7S)-8-(α-D-galactopyranosyloxy)-5,6-dihydroxy-7-icosanamido-N-(6-phenylhexyl)octanamide |
| Synonyms | Source |
|---|---|
| α-GSA[20,6P] | ChEBI |
| (5R,6S,7S)-5,6-dihydroxy-7-icosanamido-8-(α-D-galactosyloxy)-N-(6-phenylhexyl)octanamide | ChEBI |
| N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]icosanamide | PDBeChem |
| Manual Xrefs | Databases |
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| EMG | PDBeChem |
| Citations |
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