EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H16N2O3S |
| Net Charge | 0 |
| Average Mass | 220.294 |
| Monoisotopic Mass | 220.08816 |
| SMILES | [H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[S@@](=O)C([H])([H])[H])C([H])([H])[H] |
| InChI | InChI=1S/C8H16N2O3S/c1-6(11)10-7(8(12)9-2)4-5-14(3)13/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-,14-/m0/s1 |
| InChIKey | HOKSMYPIXLKSMM-WJWGPLDTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide (CHEBI:49896) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| (2S)-2-(acetylamino)-N-methyl-4-[(S)-methylsulfinyl]butanamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| SSM | PDBeChem |