EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H23ClN2O3 |
| Net Charge | 0 |
| Average Mass | 398.890 |
| Monoisotopic Mass | 398.13972 |
| SMILES | O=C1CCC=CCN(Cc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)N1 |
| InChI | InChI=1S/C22H23ClN2O3/c23-19-12-10-17(11-13-19)15-25-14-6-2-5-9-21(26)24-20(16-28-22(25)27)18-7-3-1-4-8-18/h1-4,6-8,10-13,20H,5,9,14-16H2,(H,24,26)/t20-/m0/s1 |
| InChIKey | PNFZCNWTHXNUSB-FQEVSTJZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36774 (CHEBI:125303) is a azamacrocycle (CHEBI:52898) |
| LSM-36774 (CHEBI:125303) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36774 | LINCS |