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(Z)-4-methylsulfanylbutyl-N-(sulfonatooxy)methanimidothioate

PropertiesImage
MNX_IDMNXM164101 Image of MNXM164101
referencechebi:183222
formulaC6H12NO4S3
global charge-1
mol weight258.366
InChIKeyASMOKNJFABYERB-UHFFFAOYSA-M
InChIInChI=1S/C6H13NO4S3/c1-13-5-3-2-4-6(12)7-11-14(8,9)10/h2-5H2,1H3,(H,7,12)(H,8,9,10)/p-1
SMILESCSCCCC/C([S-])=[NH+]/OS(=O)(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H13NO4S3/c1-13-5-3-2-4-6(12)7-11-14(8,9)10/h2-5H2,1H3,(H,7,12)(H,8,9,10) Image of MNXM164101
SMILES (mnx)[CH3:1][S:13][CH2:5][CH2:3][CH2:2][CH2:4][C:6](=[N:7][O:11][S:14]([OH:8])(=[O:9])=[O:10])[SH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:183222
chebi:183222
ASMOKNJFABYERB-UHFFFAOYSA-M 		(Z)-4-methylsulfanylbutyl-N-(sulfonatooxy)methanimidothioate

seed.compound:cpd33259
seedM:cpd33259
ASMOKNJFABYERB-UHFFFAOYSA-M 		2-[4-(methylsulfanyl)butyl]-thiohydroximate-O-sulfate
2-[4-(methylthio)butyl]-thiohydroximate-O-sulfate

metacyc.compound:CPD-19503
metacycM:CPD-19503
ASMOKNJFABYERB-UHFFFAOYSA-M 		4-(methylsulfanyl)-N-(sulfonatooxy)butanimidothioic acid
2-[4-(methylsulfanyl)butyl]-thiohydroximate-O-sulfate
2-[4-(methylthio)butyl]-thiohydroximate-O-sulfate

seedM:M_cpd33259 		secondary/obsolete/fantasy identifier