EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H19N3O |
| Net Charge | 0 |
| Average Mass | 221.304 |
| Monoisotopic Mass | 221.15281 |
| SMILES | CCCN(/C=N/c1cccc(=O)n1)CCC |
| InChI | InChI=1S/C12H19N3O/c1-3-8-15(9-4-2)10-13-11-6-5-7-12(16)14-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)/b13-10+ |
| InChIKey | MEYPAYJYAZKERR-JLHYYAGUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CGP 28014 (CHEBI:79969) is a pyridone (CHEBI:38183) |
| Manual Xrefs | Databases |
|---|---|
| C15477 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:111757-17-6 | KEGG COMPOUND |