EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H30N4 |
| Net Charge | 0 |
| Average Mass | 362.521 |
| Monoisotopic Mass | 362.24705 |
| SMILES | CCn1ccnc1CN1CCc2c(nc3ccccc23)C1C1CCCCC1 |
| InChI | InChI=1S/C23H30N4/c1-2-26-15-13-24-21(26)16-27-14-12-19-18-10-6-7-11-20(18)25-22(19)23(27)17-8-4-3-5-9-17/h6-7,10-11,13,15,17,23,25H,2-5,8-9,12,14,16H2,1H3 |
| InChIKey | PHKDPTVXVFILDF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-cyclohexyl-2-[(1-ethyl-2-imidazolyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (CHEBI:105566) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16929 | LINCS |