EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H21F3N2O4 |
| Net Charge | 0 |
| Average Mass | 350.337 |
| Monoisotopic Mass | 350.14534 |
| SMILES | O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F |
| InChI | InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12-/m1/s1 |
| InChIKey | QQIOQVYYWJVUEN-IJLUTSLNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide (CHEBI:100353) is a pyrans (CHEBI:26407) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11728 | LINCS |