EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H36N4O4 |
| Net Charge | 0 |
| Average Mass | 492.620 |
| Monoisotopic Mass | 492.27366 |
| SMILES | CCCNC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2CO |
| InChI | InChI=1S/C28H36N4O4/c1-2-13-29-28(36)32-23-17-31-22(9-6-10-24(31)34)26(32)25(21(23)18-33)27(35)30-14-11-20(12-15-30)16-19-7-4-3-5-8-19/h3-10,20-21,23,25-26,33H,2,11-18H2,1H3,(H,29,36)/t21-,23-,25+,26+/m1/s1 |
| InChIKey | VALQRGDBSGWYJJ-KUSCKROYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14340 (CHEBI:102994) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14340 | LINCS |