EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H34N2O4S |
| Net Charge | 0 |
| Average Mass | 494.657 |
| Monoisotopic Mass | 494.22393 |
| SMILES | CC=Cc1ccc([C@H]2[C@H](CO)N(S(=O)(=O)Cc3ccccc3)C23CN(C(=O)C2CCCC2)C3)cc1 |
| InChI | InChI=1S/C28H34N2O4S/c1-2-8-21-13-15-23(16-14-21)26-25(17-31)30(35(33,34)18-22-9-4-3-5-10-22)28(26)19-29(20-28)27(32)24-11-6-7-12-24/h2-5,8-10,13-16,24-26,31H,6-7,11-12,17-20H2,1H3/t25-,26-/m0/s1 |
| InChIKey | GRSRLIGAFUQZLD-UIOOFZCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-42610 (CHEBI:131062) is a azetidines (CHEBI:38777) |
| LSM-42610 (CHEBI:131062) is a benzenes (CHEBI:22712) |
| LSM-42610 (CHEBI:131062) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42610 | LINCS |