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CHEBI:141347 - pinoxaden acid

ChEBI IDCHEBI:141347
ChEBI Namepinoxaden acid
Stars
DefinitionAn organic hydroxy compound resulting from the hydrolysis of the the pivalate ester group of the proherbicide pinoxaden.
Last Modified10 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC18H24N2O3
Net Charge0
Average Mass316.401
Monoisotopic Mass316.17869
SMILESCCc1cc(C)cc(CC)c1-c1c(O)n2n(c1=O)CCOCC2
InChIInChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,21H,4-9H2,1-3H3
InChIKeyYWZBGRYDSPLRHR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor  An EC 6.4.1.* (C‒C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2).
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
pinoxaden acid (CHEBI:141347) has role agrochemical (CHEBI:33286)
pinoxaden acid (CHEBI:141347) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
pinoxaden acid (CHEBI:141347) has role environmental contaminant (CHEBI:78298)
pinoxaden acid (CHEBI:141347) has role herbicide (CHEBI:24527)
pinoxaden acid (CHEBI:141347) has role xenobiotic (CHEBI:35703)
pinoxaden acid (CHEBI:141347) is a benzenes (CHEBI:22712)
pinoxaden acid (CHEBI:141347) is a organic hydroxy compound (CHEBI:33822)
pinoxaden acid (CHEBI:141347) is a pyrazolooxadiazepine (CHEBI:136684)
Incoming Relation(s)
pinoxaden (CHEBI:83524) has functional parent pinoxaden acid (CHEBI:141347)
IUPAC Name 
8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one
Registry NumbersSources
Reaxys:31687354Reaxys