EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H35N3O5 |
| Net Charge | 0 |
| Average Mass | 505.615 |
| Monoisotopic Mass | 505.25767 |
| SMILES | CO[C@H]1CC[C@@H]2CCN(C)C(=O)C[C@H](c3ccccc3)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 |
| InChI | InChI=1S/C29H35N3O5/c1-31-15-14-23-12-13-25(35-3)26(37-23)19-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25-,26+/m0/s1 |
| InChIKey | PPQNLGLVWDESKN-ALNDXVPUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40903 (CHEBI:129352) is a azamacrocycle (CHEBI:52898) |
| LSM-40903 (CHEBI:129352) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40903 | LINCS |