sulforaphane (CHEBI:47807)

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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.

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Formula

C6H11NOS2

Net Charge

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

InChIKey

SUVMJBTUFCVSAD-UHFFFAOYSA-N

SMILES

N(=C=S)CCCCS(=O)C

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

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.

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:22063)

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

Last Modified

30 October 2021