EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:91021 - S-propyl propanethiosulfinate
| Formula | C6H14OS2 |
| Net Charge | 0 |
| Average Mass | 166.311 |
| Monoisotopic Mass | 166.04861 |
| SMILES | CCCSS(=O)CCC |
| InChI | InChI=1S/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3 |
| InChIKey | XPRZAEWSYWTDSQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mimosa pudica (ncbitaxon:76306) | root (BTO:0001188) | PubMed (26661932) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (10820136) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S-propyl propanethiosulfinate (CHEBI:91021) has role antibacterial agent (CHEBI:33282) |
| S-propyl propanethiosulfinate (CHEBI:91021) has role antioxidant (CHEBI:22586) |
| S-propyl propanethiosulfinate (CHEBI:91021) has role plant metabolite (CHEBI:76924) |
| S-propyl propanethiosulfinate (CHEBI:91021) has role rat metabolite (CHEBI:86264) |
| S-propyl propanethiosulfinate (CHEBI:91021) is a sulfinic acid derivative (CHEBI:37784) |
| S-propyl propanethiosulfinate (CHEBI:91021) is a sulfoxide (CHEBI:22063) |
| IUPAC Name |
|---|
| S-propyl propane-1-sulfinothioate |
| Synonyms | Source |
|---|---|
| S-propyl propane-1-thiosulfinate | ChEBI |
| 1-Propanesulfinothioic acid, S-propyl ester | ChemIDplus |
| propyl propanethiosulfinate | ChEBI |
| dipropyl thiosulfinate | ChEBI |
| propyl propylthiosulfinate | ChEBI |
| S-Propyl 1-propanesulfinothioate | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034394 | HMDB |
| US2010035984 | Patent |
| EP2110128 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1098798 | Reaxys |
| CAS:1948-52-3 | ChemIDplus |
| Citations |
|---|