CHEBI:47807 - sulforaphane

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ChEBI Name sulforaphane
Definition An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H11NOS2
Net Charge 0
Average Mass 177.290
Monoisotopic Mass 177.028
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): EC (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
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing sulforaphane (CHEBI:47807) has role antineoplastic agent (CHEBI:35610)
sulforaphane (CHEBI:47807) has role antioxidant (CHEBI:22586)
sulforaphane (CHEBI:47807) has role EC (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 (R)-sulforaphane (CHEBI:47808) is a sulforaphane (CHEBI:47807)
(S)-sulforaphane (CHEBI:47809) is a sulforaphane (CHEBI:47807)
4-isothiocyanatobutyl methyl sulfoxide
Synonyms Sources
Sulforafan ChemIDplus
Sulforaphane ChemIDplus
Database Links Databases
CA2839972 Patent
CN103229711 Patent
HMDB0005792 HMDB
Sulforaphane Wikipedia
US2013323225 Patent
WO2013179056 Patent
WO2013179057 Patent
View more database links
Registry Numbers Types Sources
1723237 Beilstein Registry Number Beilstein
1723237 Reaxys Registry Number Reaxys
4478-93-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16442570 PubMed citation Europe PMC
17134937 PubMed citation Europe PMC
18090122 PubMed citation Europe PMC
Last Modified
10 November 2017