EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28FN3O4 |
| Net Charge | 0 |
| Average Mass | 465.525 |
| Monoisotopic Mass | 465.20638 |
| SMILES | CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)c1ccccc1F |
| InChI | InChI=1S/C26H28FN3O4/c1-28(2)26(34)23-19(14-31)18-13-29-21(12-11-16(24(29)32)15-7-3-4-8-15)22(18)30(23)25(33)17-9-5-6-10-20(17)27/h5-7,9-12,18-19,22-23,31H,3-4,8,13-14H2,1-2H3/t18-,19-,22+,23-/m1/s1 |
| InChIKey | QRPMBXIBVHHSCR-PJIZGREPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:99626) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11005 | LINCS |