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CHEBI:47809 - (S)-sulforaphane

ChEBI IDCHEBI:47809
ChEBI Name(S)-sulforaphane
Stars
ASCII Name(S)-sulforaphane
DefinitionA sulforaphane in which the sulfinyl group has S configuration.
Last Modified13 November 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H11NOS2
Net Charge0
Average Mass177.294
Monoisotopic Mass177.02821
SMILESC[S@](=O)CCCCN=C=S
InChIInChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1
InChIKeySUVMJBTUFCVSAD-JTQLQIEISA-N
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)
(S)-sulforaphane (CHEBI:47809) is a sulforaphane (CHEBI:47807)
(S)-sulforaphane (CHEBI:47809) is enantiomer of (R)-sulforaphane (CHEBI:47808)
Incoming Relation(s)
(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)-sulfoxideIUPAC
Registry NumbersSources
Beilstein:1723239Beilstein