EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24N2O4S |
| Net Charge | 0 |
| Average Mass | 412.511 |
| Monoisotopic Mass | 412.14568 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 |
| InChI | InChI=1S/C22H24N2O4S/c1-2-6-16-9-11-17(12-10-16)22-19-13-23(14-21(26)24(19)20(22)15-25)29(27,28)18-7-4-3-5-8-18/h2-12,19-20,22,25H,13-15H2,1H3/t19-,20+,22-/m0/s1 |
| InChIKey | GMPJODBFNFLBBI-VWPQPMDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38043 (CHEBI:126479) is a azetidines (CHEBI:38777) |
| LSM-38043 (CHEBI:126479) is a benzenes (CHEBI:22712) |
| LSM-38043 (CHEBI:126479) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38043 | LINCS |