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CHEBI:87805 - ethionamide S-oxide
| Formula | C8H10N2OS |
| Net Charge | 0 |
| Average Mass | 182.248 |
| Monoisotopic Mass | 182.05138 |
| SMILES | CCc1cc(C(N)=S=O)ccn1 |
| InChI | InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3 |
| InChIKey | QDQQNGZRIJPDGA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (21268048) |
| Roles Classification |
|---|
| Biological Roles: | leprostatic drug A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions. fatty acid synthesis inhibitor Any pathway inhibitor that inhibits the synthesis of fatty acids. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Applications: | leprostatic drug A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethionamide S-oxide (CHEBI:87805) has functional parent ethionamide (CHEBI:4885) |
| ethionamide S-oxide (CHEBI:87805) has role antilipemic drug (CHEBI:35679) |
| ethionamide S-oxide (CHEBI:87805) has role antitubercular agent (CHEBI:33231) |
| ethionamide S-oxide (CHEBI:87805) has role fatty acid synthesis inhibitor (CHEBI:50185) |
| ethionamide S-oxide (CHEBI:87805) has role human xenobiotic metabolite (CHEBI:76967) |
| ethionamide S-oxide (CHEBI:87805) has role leprostatic drug (CHEBI:35816) |
| ethionamide S-oxide (CHEBI:87805) is a pyridines (CHEBI:26421) |
| IUPAC Name |
|---|
| 1-(2-ethylpyridin-4-yl)-1-(oxo-λ4-sulfanylidene)methanamine |
| Synonyms | Source |
|---|---|
| ethionamide sulphoxide | HMDB |
| ethionamide sulfoxide | ChEBI |
| UniProt Name | Source |
|---|---|
| ethionamide S-oxide | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060624 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:472920 | Reaxys |
| Citations |
|---|