EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26N2O4S |
| Net Charge | 0 |
| Average Mass | 378.494 |
| Monoisotopic Mass | 378.16133 |
| SMILES | CC=Cc1ccc([C@@H]2[C@H](CO)N(S(C)(=O)=O)C23CN(C(=O)CC)C3)cc1 |
| InChI | InChI=1S/C19H26N2O4S/c1-4-6-14-7-9-15(10-8-14)18-16(11-22)21(26(3,24)25)19(18)12-20(13-19)17(23)5-2/h4,6-10,16,18,22H,5,11-13H2,1-3H3/t16-,18+/m0/s1 |
| InChIKey | XJAHBTLOJHBYDS-FUHWJXTLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41644 (CHEBI:130094) is a azetidines (CHEBI:38777) |
| LSM-41644 (CHEBI:130094) is a benzenes (CHEBI:22712) |
| LSM-41644 (CHEBI:130094) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41644 | LINCS |