EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H29N3O6S |
| Net Charge | 0 |
| Average Mass | 487.578 |
| Monoisotopic Mass | 487.17771 |
| SMILES | COc1cccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)NCC4CC4)[C@H]3N2S(C)(=O)=O)c1 |
| InChI | InChI=1S/C24H29N3O6S/c1-33-16-5-3-4-15(10-16)17-8-9-19-22-21(23(29)25-11-14-6-7-14)18(13-28)20(12-26(19)24(17)30)27(22)34(2,31)32/h3-5,8-10,14,18,20-22,28H,6-7,11-13H2,1-2H3,(H,25,29)/t18-,20-,21+,22+/m1/s1 |
| InChIKey | ZMTYCZRIJUNYPN-YJMBLLCNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-10401 (CHEBI:99022) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10401 | LINCS |