EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26N4O4 |
| Net Charge | 0 |
| Average Mass | 398.463 |
| Monoisotopic Mass | 398.19541 |
| SMILES | O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1cocn1)N1CCCCC1 |
| InChI | InChI=1S/C21H26N4O4/c26-11-15-17-10-24-16(5-4-6-18(24)27)20(25(17)9-14-12-29-13-22-14)19(15)21(28)23-7-2-1-3-8-23/h4-6,12-13,15,17,19-20,26H,1-3,7-11H2/t15-,17-,19+,20+/m1/s1 |
| InChIKey | PJVBFVCJEZYLHS-BEKAIBRUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-13507 (CHEBI:102148) is a N-acylpiperidine (CHEBI:48591) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13507 | LINCS |