EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H28FN5O3 |
| Net Charge | 0 |
| Average Mass | 489.551 |
| Monoisotopic Mass | 489.21762 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccc(F)cc3)N(Cc3cncnc3)[C@H]21 |
| InChI | InChI=1S/C27H28FN5O3/c1-2-3-19-6-9-23-24-21(14-32(23)27(19)36)22(15-34)25(33(24)13-18-10-29-16-30-11-18)26(35)31-12-17-4-7-20(28)8-5-17/h2-11,16,21-22,24-25,34H,12-15H2,1H3,(H,31,35)/t21-,22-,24+,25-/m1/s1 |
| InChIKey | LGAKJZSEUNBQTH-YQIMAOPZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14613 (CHEBI:103269) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14613 | LINCS |