EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H23FN2O6S |
| Net Charge | 0 |
| Average Mass | 498.532 |
| Monoisotopic Mass | 498.12609 |
| SMILES | Cc1cccc(S(=O)(=O)N2[C@@H]3c4ccc(-c5ccc(F)cc5)c(=O)n4C[C@H]2[C@H](CO)[C@H]3C(=O)O)c1 |
| InChI | InChI=1S/C25H23FN2O6S/c1-14-3-2-4-17(11-14)35(33,34)28-21-12-27-20(23(28)22(25(31)32)19(21)13-29)10-9-18(24(27)30)15-5-7-16(26)8-6-15/h2-11,19,21-23,29H,12-13H2,1H3,(H,31,32)/t19-,21-,22+,23+/m0/s1 |
| InChIKey | MTJUDQAFHZBLAH-KZKAQZJJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-10486 (CHEBI:99107) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10486 | LINCS |