EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H24F5N3O4 |
| Net Charge | 0 |
| Average Mass | 501.452 |
| Monoisotopic Mass | 501.16870 |
| SMILES | O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 |
| InChI | InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20+/m0/s1 |
| InChIKey | CXBDXCVDLXJCMX-XUVXKRRUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3,5-difluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide (CHEBI:99624) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11003 | LINCS |