CHEBI:47809 - (S)-sulforaphane

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ChEBI Name (S)-sulforaphane
ChEBI ID CHEBI:47809
ChEBI ASCII Name (S)-sulforaphane
Definition A sulforaphane in which the sulfinyl group has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H11NOS2
Net Charge 0
Average Mass 177.290
Monoisotopic Mass 177.02821
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1
InChIKey SUVMJBTUFCVSAD-JTQLQIEISA-N
SMILES N(=C=S)CCCC[S@@](=O)C
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via sulforaphane )
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).
(via sulforaphane )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via sulforaphane )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
(via sulforaphane )
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ChEBI Ontology
Outgoing (S)-sulforaphane (CHEBI:47809) is a sulforaphane (CHEBI:47807)
(S)-sulforaphane (CHEBI:47809) is enantiomer of (R)-sulforaphane (CHEBI:47808)
Incoming (R)-sulforaphane (CHEBI:47808) is enantiomer of (S)-sulforaphane (CHEBI:47809)
IUPAC Name
1-isothiocyanato-4-[(S)-methylsulfinyl]butane
Synonym Source
4-isothiocyanatobutyl methyl (S)-sulfoxide IUPAC
Registry Number Type Source
1723239 Beilstein Registry Number Beilstein
Last Modified
13 November 2017