EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H17N3O6S |
| Net Charge | 0 |
| Average Mass | 367.383 |
| Monoisotopic Mass | 367.08381 |
| SMILES | O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1 |
| InChI | InChI=1S/C15H17N3O6S/c19-11(16-6-12(20)18-8-14(22)23)7-17-13(21)9-25-15(24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,19)(H,17,21)(H,18,20)(H,22,23) |
| InChIKey | VDPYMEBVIDZKMD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| betiatide (CHEBI:136015) is a oligopeptide (CHEBI:25676) |
| Manual Xrefs | Databases |
|---|---|
| 4666 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:103725-47-9 | DrugCentral |