EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28N5O3 |
| Net Charge | +1 |
| Average Mass | 386.476 |
| Monoisotopic Mass | 386.21867 |
| SMILES | O=C1C[C@H](O)c2cc(OCCCCc3nnn[n+]3C3CCCCC3)ccc2N1 |
| InChI | InChI=1S/C20H27N5O3/c26-18-13-20(27)21-17-10-9-15(12-16(17)18)28-11-5-4-8-19-22-23-24-25(19)14-6-2-1-3-7-14/h9-10,12,14,18,26H,1-8,11,13H2,(H,21,27)/p+1/t18-/m0/s1 |
| InChIKey | FCWDVHXHKQJPQA-SFHVURJKSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-cyclohexyl-5-{4-[(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butyl}-4H-1lambda5,2,3,4-tetrazol-1-ylium (CHEBI:143347) is a hydroxyquinoline (CHEBI:38774) |
| 1-cyclohexyl-5-{4-[(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butyl}-4H-1lambda5,2,3,4-tetrazol-1-ylium (CHEBI:143347) is a quinolone (CHEBI:23765) |