EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22N4O5 |
| Net Charge | 0 |
| Average Mass | 362.386 |
| Monoisotopic Mass | 362.15902 |
| SMILES | O=C(O)C=CC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 |
| InChI | InChI=1S/C17H22N4O5/c22-15(3-4-16(23)24)18-13-1-2-14(20-5-9-25-10-6-20)19-17(13)21-7-11-26-12-8-21/h1-4H,5-12H2,(H,18,22)(H,23,24) |
| InChIKey | DWSNGRJYFBPVHN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[2,6-bis(4-morpholinyl)-3-pyridinyl]amino]-4-oxo-2-butenoic acid (CHEBI:107488) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18843 | LINCS |