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)c3cc(C#N)ccc3OC[C@@H]1O2 |
| InChI | InChI=1S/C29H35N3O5/c1-31-14-13-23-10-12-26(35-3)27(37-23)19-36-25-11-9-20(17-30)15-24(25)29(34)32(2)18-22(16-28(31)33)21-7-5-4-6-8-21/h4-9,11,15,22-23,26-27H,10,12-14,16,18-19H2,1-3H3/t22-,23+,26-,27+/m1/s1 |
| InChIKey | ZJDDJVCOZFKVQY-GJHDXROTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41904 (CHEBI:130355) is a azamacrocycle (CHEBI:52898) |
| LSM-41904 (CHEBI:130355) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41904 | LINCS |