EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H31N3O5 |
| Net Charge | 0 |
| Average Mass | 429.517 |
| Monoisotopic Mass | 429.22637 |
| SMILES | CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 |
| InChI | InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-11-16(12-24)5-7-19(18)30-10-9-17-6-8-20(29-4)21(31-17)14-26(3)22(15)27/h5,7,11,15,17,20-21H,6,8-10,13-14H2,1-4H3/t15-,17-,20+,21-/m0/s1 |
| InChIKey | QSJJIXXWPSYZRO-WLKXKRCBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40035 (CHEBI:128481) is a azamacrocycle (CHEBI:52898) |
| LSM-40035 (CHEBI:128481) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40035 | LINCS |