EMBL-EBI | Chemical Biology Resources | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C37H49N3O5S |
| Net Charge | 0 |
| Average Mass | 647.882 |
| Monoisotopic Mass | 647.33929 |
| SMILES | COc1cc(CCN2CCN(CCCCOc3ccccc3[C@@]3(C(C)C)Sc4ccccc4N(C)C3=O)CC2)cc(OC)c1OC |
| InChI | InChI=1S/C37H49N3O5S/c1-27(2)37(36(41)38(3)30-14-8-10-16-34(30)46-37)29-13-7-9-15-31(29)45-24-12-11-18-39-20-22-40(23-21-39)19-17-28-25-32(42-4)35(44-6)33(26-28)43-5/h7-10,13-16,25-27H,11-12,17-24H2,1-6H3/t37-/m1/s1 |
| InChIKey | JSLZUBLGGPEVQN-DIPNUNPCSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| iprotiazem (CHEBI:751662) is a benzothiazine (CHEBI:46899) |
| INN | Source |
|---|---|
| iprotiazem | WHO MedNet |