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sulforaphane

PropertiesImage
MNX_IDMNXM83071 Image of MNXM83071
referencechebi:47807
formulaC6H11NOS2
global charge0
mol weight177.294
InChIKeySUVMJBTUFCVSAD-UHFFFAOYSA-N
InChIInChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
SMILESCS(=O)CCCCN=C=S
MNX internals
InChI (mnx)InChI=1/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10? Image of MNXM83071
SMILES (mnx)[CH3:1][S:10]([CH2:5][CH2:3][CH2:2][CH2:4][N:7]=[C:6]=[S:9])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9712246
reactomeM:R-ALL-9712246
CHEBI:47807
chebi:47807
SUVMJBTUFCVSAD-UHFFFAOYSA-N 		sulforaphane
1-isothiocyanato-4-(methylsulfinyl)butane
4-isothiocyanatobutyl methyl sulfoxide
Sulforafan
Sulforaphane

sabiork.compound:25196
sabiorkM:25196
SUVMJBTUFCVSAD-UHFFFAOYSA-N 		Sulforaphane
hmdb:HMDB0005792
SUVMJBTUFCVSAD-UHFFFAOYSA-N 		Sulforaphane
(R)-Sulphoraphane
1-Isothiocyanato-4-methylsulphinylbutane
1-isothiocyanato-4-methanesulfinylbutane
4-Methylsulphinylbutyl glucosinolate
Methylsulfoxybutylisothiocyanate
Sulforafan
Sulphorafan
Sulphoraphane
sulforaphane

metacyc.compound:CPD-19494
metacycM:CPD-19494
seed.compound:cpd33650
seedM:cpd33650
SUVMJBTUFCVSAD-UHFFFAOYSA-N 		sulforaphane

hmdb:HMDB05792
seedM:M_cpd33650 		secondary/obsolete/fantasy identifier