EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24ClN5O4S |
| Net Charge | 0 |
| Average Mass | 477.974 |
| Monoisotopic Mass | 477.12375 |
| SMILES | O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1cccc(Cl)c1 |
| InChI | InChI=1S/C21H24ClN5O4S/c22-15-4-3-5-17(12-15)32(29,30)25-19-8-7-16(31-21(19)14-28)9-11-27-13-20(24-26-27)18-6-1-2-10-23-18/h1-6,10,12-13,16,19,21,25,28H,7-9,11,14H2/t16-,19-,21+/m0/s1 |
| InChIKey | KSHGYKMGUCEKKM-NBHGPNQESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-chloro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide (CHEBI:118189) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29638 | LINCS |