EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29FN2O6S |
| Net Charge | 0 |
| Average Mass | 444.525 |
| Monoisotopic Mass | 444.17304 |
| SMILES | O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCOCC1 |
| InChI | InChI=1S/C20H29FN2O6S/c21-15-1-4-17(5-2-15)30(26,27)22-10-7-16-3-6-18(19(13-24)29-16)23-20(25)14-8-11-28-12-9-14/h1-2,4-5,14,16,18-19,22,24H,3,6-13H2,(H,23,25)/t16-,18-,19+/m0/s1 |
| InChIKey | RRSRGJAXJRQFPD-YTQUADARSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide (CHEBI:118140) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29589 | LINCS |