CHEBI:47807 - sulforaphane

Main ChEBI Ontology Automatic Xrefs
ChEBI Name sulforaphane
ChEBI ID CHEBI:47807
Definition An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C6H11NOS2
Net Charge 0
Average Mass 177.28968
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
InChIKey SUVMJBTUFCVSAD-UHFFFAOYSA-N
SMILES CS(=O)CCCCN=C=S
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
Biological Role(s): 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).
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.
View more via ChEBI Ontology
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 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:35813)
Incoming (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 Sources
Sulforafan ChemIDplus
Sulforaphane ChemIDplus
Database Links Databases
CA2839972 Patent
CN103229711 Patent
HMDB05792 HMDB
Sulforaphane Wikipedia
US2013323225 Patent
WO2013179056 Patent
WO2013179057 Patent
View more database links
Registry Numbers Types Sources
1723237 Reaxys Registry Number Reaxys
1723237 Beilstein Registry Number Beilstein
4478-93-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16442570 PubMed citation CiteXplore
17134937 PubMed citation CiteXplore
18090122 PubMed citation CiteXplore
Last Modified
26 February 2014