EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H29N3O2S |
| Net Charge | 0 |
| Average Mass | 339.505 |
| Monoisotopic Mass | 339.19805 |
| SMILES | CCCCN(CCCC)CCNC(=O)CNC(=O)c1cccs1 |
| InChI | InChI=1S/C17H29N3O2S/c1-3-5-10-20(11-6-4-2)12-9-18-16(21)14-19-17(22)15-8-7-13-23-15/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,18,21)(H,19,22) |
| InChIKey | JVAVLEGVDDSMOE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide (CHEBI:116869) is a N-acyl-amino acid (CHEBI:51569) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28320 | LINCS |