EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H23N3O3 |
| Net Charge | 0 |
| Average Mass | 317.389 |
| Monoisotopic Mass | 317.17394 |
| SMILES | CN1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 |
| InChI | InChI=1S/C17H23N3O3/c1-19-13-8-20-12(3-2-4-14(20)22)16(19)15(11(13)9-21)17(23)18-7-10-5-6-10/h2-4,10-11,13,15-16,21H,5-9H2,1H3,(H,18,23)/t11-,13-,15+,16+/m0/s1 |
| InChIKey | INXWNUBULGNKSP-DDUYRFODSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-13071 (CHEBI:101708) is a pyrrolidinecarboxamide (CHEBI:46770) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13071 | LINCS |