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CHEBI:5133 - fluthiacet-methyl

Default Structure
ChEBI IDCHEBI:5133
ChEBI Namefluthiacet-methyl
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of fluthiacet with methanol. A proherbicide for fluthiacet, it is used for the control of broad-leaved weeds in crops such as maize and soya.
Last Modified25 July 2018
DownloadsMolfile
FormulaC15H15ClFN3O3S2
Net Charge0
Average Mass403.888
Monoisotopic Mass403.02274
SMILESCOC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
InChIInChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3
InChIKeyZCNQYNHDVRPZIH-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Applications:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
fluthiacet-methyl (CHEBI:5133) has functional parent fluthiacet (CHEBI:82018)
fluthiacet-methyl (CHEBI:5133) has role agrochemical (CHEBI:33286)
fluthiacet-methyl (CHEBI:5133) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
fluthiacet-methyl (CHEBI:5133) has role proherbicide (CHEBI:136646)
fluthiacet-methyl (CHEBI:5133) is a methyl ester (CHEBI:25248)
fluthiacet-methyl (CHEBI:5133) is a monochlorobenzenes (CHEBI:83403)
fluthiacet-methyl (CHEBI:5133) is a monofluorobenzenes (CHEBI:83575)
fluthiacet-methyl (CHEBI:5133) is a organic sulfide (CHEBI:16385)
fluthiacet-methyl (CHEBI:5133) is a thiadiazolopyridazine (CHEBI:48874)
IUPAC Name 
methyl [(2-chloro-4-fluoro-5-{[(1Ξ)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate
Synonyms  Source
CGA 248757ChemIDplus
CGA-248757ChemIDplus
KIH 9201ChemIDplus
KIH-9201ChemIDplus
methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetateAlan Wood's Pesticides
methyl [(2-chloro-4-fluoro-5-{[(1Ξ)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetateAlan Wood's Pesticides
Brand Name  Source
ActionChemIDplus
Manual XrefsDatabases
1499PPDB
C10908KEGG COMPOUND
derivatives/fluthiacet-methylAlan Wood's Pesticides
EP273417Patent
US4906279Patent
Registry NumbersSources
Reaxys:11510131Reaxys
CAS:117337-19-6KEGG COMPOUND
CAS:117337-19-6ChemIDplus
CAS:117337-19-6Alan Wood's Pesticides
Citations