EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H22N4O2 |
| Net Charge | 0 |
| Average Mass | 266.345 |
| Monoisotopic Mass | 266.17428 |
| SMILES | CC(C)C[C@@H]1COCc2cn(nn2)CCCC(=O)N1 |
| InChI | InChI=1S/C13H22N4O2/c1-10(2)6-11-8-19-9-12-7-17(16-15-12)5-3-4-13(18)14-11/h7,10-11H,3-6,8-9H2,1-2H3,(H,14,18)/t11-/m1/s1 |
| InChIKey | XXIIEYJRIARBIR-LLVKDONJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7R)-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:129256) is a azamacrocycle (CHEBI:52898) |
| (7R)-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:129256) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40807 | LINCS |