EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27N3O2S |
| Net Charge | 0 |
| Average Mass | 397.544 |
| Monoisotopic Mass | 397.18240 |
| SMILES | O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 |
| InChI | InChI=1S/C22H27N3O2S/c26-22(23-8-9-24-10-13-27-14-11-24)19-6-7-21-20(16-19)25(12-15-28-21)17-18-4-2-1-3-5-18/h1-7,16H,8-15,17H2,(H,23,26) |
| InChIKey | DTSWECZIQSCKFV-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(4-morpholinyl)ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CHEBI:123172) is a benzothiazine (CHEBI:46899) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34614 | LINCS |