EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H34N4O5S |
| Net Charge | 0 |
| Average Mass | 478.615 |
| Monoisotopic Mass | 478.22499 |
| SMILES | COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO |
| InChI | InChI=1S/C23H34N4O5S/c1-31-21-9-5-6-10-23(21)33(29,30)25-19-12-11-18(32-22(19)16-28)13-14-27-15-20(24-26-27)17-7-3-2-4-8-17/h5-6,9-10,15,17-19,22,25,28H,2-4,7-8,11-14,16H2,1H3/t18-,19-,22-/m0/s1 |
| InChIKey | HBWIVVUPODMQBV-IPJJNNNSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide (CHEBI:98958) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10337 | LINCS |