EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24Cl2N2O5S |
| Net Charge | 0 |
| Average Mass | 487.405 |
| Monoisotopic Mass | 486.07830 |
| SMILES | O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)c1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C21H24Cl2N2O5S/c22-15-10-14(11-16(23)12-15)21(27)24-9-8-17-6-7-19(20(13-26)30-17)25-31(28,29)18-4-2-1-3-5-18/h1-5,10-12,17,19-20,25-26H,6-9,13H2,(H,24,27)/t17-,19-,20+/m0/s1 |
| InChIKey | DOQFJJOYHUUDAI-YSIASYRMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(2S,5S,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]ethyl]-3,5-dichlorobenzamide (CHEBI:118856) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30305 | LINCS |