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)c2OC[C@@H]2O[C@@H](CC[C@H]2OC)CCN(C)C(=O)[C@@H]1C |
| InChI | InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21+,22+/m1/s1 |
| InChIKey | XYLRKRISJMFHFX-UYIOJHFGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11009 (CHEBI:99630) is a azamacrocycle (CHEBI:52898) |
| LSM-11009 (CHEBI:99630) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11009 | LINCS |