EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H36N4O5 |
| Net Charge | 0 |
| Average Mass | 544.652 |
| Monoisotopic Mass | 544.26857 |
| SMILES | COc1cccc(NC(=O)N(C)C[C@@H]2Oc3ncc(C=Cc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1 |
| InChI | InChI=1S/C31H36N4O5/c1-21-18-35(22(2)20-36)30(37)27-15-24(14-13-23-9-6-5-7-10-23)17-32-29(27)40-28(21)19-34(3)31(38)33-25-11-8-12-26(16-25)39-4/h5-17,21-22,28,36H,18-20H2,1-4H3,(H,33,38)/t21-,22+,28-/m0/s1 |
| InChIKey | YCWRHWKUOUGHRQ-TYPXCFOJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17633 (CHEBI:106272) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17633 | LINCS |