EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H27ClN4O4S |
| Net Charge | 0 |
| Average Mass | 442.969 |
| Monoisotopic Mass | 442.14415 |
| SMILES | CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 |
| InChI | InChI=1S/C19H27ClN4O4S/c1-2-5-14-12-24(23-21-14)11-10-15-8-9-17(18(13-25)28-15)22-29(26,27)19-7-4-3-6-16(19)20/h3-4,6-7,12,15,17-18,22,25H,2,5,8-11,13H2,1H3/t15-,17+,18-/m0/s1 |
| InChIKey | PYJMYSQFCOCJMQ-JQHSSLGASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-chloro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]benzenesulfonamide (CHEBI:118357) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29806 | LINCS |