EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28N6O4 |
| Net Charge | 0 |
| Average Mass | 488.548 |
| Monoisotopic Mass | 488.21720 |
| SMILES | CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]1N2C(=O)Nc1ccccc1 |
| InChI | InChI=1S/C26H28N6O4/c1-2-10-29-24(34)22-19(14-33)21-13-31-20(9-8-18(25(31)35)16-11-27-15-28-12-16)23(22)32(21)26(36)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21-23,33H,2,10,13-14H2,1H3,(H,29,34)(H,30,36)/t19-,21-,22+,23+/m1/s1 |
| InChIKey | NNSFVWHQEZSLFM-LGKPFJOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-13805 (CHEBI:102454) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13805 | LINCS |