EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H30F3N3O3 |
| Net Charge | 0 |
| Average Mass | 465.516 |
| Monoisotopic Mass | 465.22393 |
| SMILES | O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1N2CCC(F)(F)F |
| InChI | InChI=1S/C24H30F3N3O3/c25-24(26,27)9-10-29-19-12-30-18(8-7-16(23(30)33)15-3-1-2-4-15)21(29)20(17(19)13-31)22(32)28-11-14-5-6-14/h3,7-8,14,17,19-21,31H,1-2,4-6,9-13H2,(H,28,32)/t17-,19-,20+,21+/m0/s1 |
| InChIKey | AMCQVYASXAVENJ-MJUUVYJYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-13310 (CHEBI:101949) is a pyrrolidinecarboxamide (CHEBI:46770) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13310 | LINCS |