EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H36N2O5S |
| Net Charge | 0 |
| Average Mass | 536.694 |
| Monoisotopic Mass | 536.23449 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1 |
| InChI | InChI=1S/C30H36N2O5S/c1-22-17-32(23(2)19-33)30(34)28-16-10-9-15-27(28)26-14-8-7-13-25(26)20-37-29(22)18-31(3)38(35,36)21-24-11-5-4-6-12-24/h4-16,22-23,29,33H,17-21H2,1-3H3/t22-,23+,29-/m1/s1 |
| InChIKey | CCIBAFIAEKPPJU-RLPNJSHFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-8803 (CHEBI:97424) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8803 | LINCS |