EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H16N2O2S |
| Net Charge | 0 |
| Average Mass | 228.317 |
| Monoisotopic Mass | 228.09325 |
| SMILES | [H]C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])SC([H])([H])[C@]2([H])N([H])C(=O)N([H])[C@]12[H] |
| InChI | InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1 |
| InChIKey | ARDNWGMSCXSPBF-CIUDSAMLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL (CHEBI:41179) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanal | PDBeChem |
| 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BTI | PDBeChem |