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CHEBI:47807 - sulforaphane
| Formula | C6H11NOS2 |
| Net Charge | 0 |
| Average Mass | 177.294 |
| Monoisotopic Mass | 177.02821 |
| SMILES | CS(=O)CCCCN=C=S |
| InChI | InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| InChIKey | SUVMJBTUFCVSAD-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. EC 3.5.1.98 (histone deacetylase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sulforaphane (CHEBI:47807) has role antineoplastic agent (CHEBI:35610) |
| sulforaphane (CHEBI:47807) has role antioxidant (CHEBI:22586) |
| sulforaphane (CHEBI:47807) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) |
| sulforaphane (CHEBI:47807) has role plant metabolite (CHEBI:76924) |
| sulforaphane (CHEBI:47807) is a isothiocyanate (CHEBI:52221) |
| sulforaphane (CHEBI:47807) is a sulfoxide (CHEBI:22063) |
| Incoming Relation(s) |
| (R)-sulforaphane (CHEBI:47808) is a sulforaphane (CHEBI:47807) |
| (S)-sulforaphane (CHEBI:47809) is a sulforaphane (CHEBI:47807) |
| IUPAC Names |
|---|
| 1-isothiocyanato-4-(methylsulfinyl)butane |
| 4-isothiocyanatobutyl methyl sulfoxide |
| Synonyms | Source |
|---|---|
| Sulforafan | ChemIDplus |
| Sulforaphane | ChemIDplus |
| UniProt Name | Source |
|---|---|
| sulforaphane | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CA2839972 | Patent |
| US2013323225 | Patent |
| CN103229711 | Patent |
| WO2013179057 | Patent |
| WO2013179056 | Patent |
| HMDB0005792 | HMDB |
| Sulforaphane | Wikipedia |
| LSM-4919 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1723237 | Reaxys |
| CAS:4478-93-7 | ChemIDplus |
| Citations |
|---|