EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H35N3O5 |
| Net Charge | 0 |
| Average Mass | 445.560 |
| Monoisotopic Mass | 445.25767 |
| SMILES | CC=Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCOCC1)O2 |
| InChI | InChI=1S/C24H35N3O5/c1-5-6-18-11-20-22(25-12-18)32-21(16(2)13-27(24(20)30)17(3)15-28)14-26(4)23(29)19-7-9-31-10-8-19/h5-6,11-12,16-17,19,21,28H,7-10,13-15H2,1-4H3/t16-,17-,21-/m1/s1 |
| InChIKey | WESXQGCLCDUYEJ-CBGDNZLLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-7703 (CHEBI:96324) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-7703 | LINCS |