EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H18N2OS |
| Net Charge | 0 |
| Average Mass | 178.301 |
| Monoisotopic Mass | 178.11398 |
| SMILES | CCC(C)(N)CCS(C)(=N)=O |
| InChI | InChI=1S/C7H18N2OS/c1-4-7(2,8)5-6-11(3,9)10/h9H,4-6,8H2,1-3H3 |
| InChIKey | ROCLWLHJSYAVQF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyl-1-(methylsulfonimidoyl)-3-pentanamine (CHEBI:125395) is a sulfoximide (CHEBI:38084) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36880 | LINCS |