EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H35N3O6 |
| Net Charge | 0 |
| Average Mass | 473.570 |
| Monoisotopic Mass | 473.25259 |
| SMILES | CO[C@H]1CN(C)C(=O)c2cccc(C#N)c2OCC[C@@H]2CC[C@@H](OC)[C@@H](CN(C)C(=O)[C@@H]1C)O2 |
| InChI | InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-12-11-18-9-10-20(31-4)22(34-18)15-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21+,22-/m1/s1 |
| InChIKey | KKWAEGUSNQIREC-RCUFNAHASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38147 (CHEBI:126583) is a azamacrocycle (CHEBI:52898) |
| LSM-38147 (CHEBI:126583) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38147 | LINCS |