CHEBI:141347 - pinoxaden acid

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ChEBI Name pinoxaden acid
ChEBI ID CHEBI:141347
Definition An organic hydroxy compound resulting from the hydrolysis of the the pivalate ester group of the proherbicide pinoxaden.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H24N2O3
Net Charge 0
Average Mass 316.395
Monoisotopic Mass 316.17869
InChI InChI=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
InChIKey YWZBGRYDSPLRHR-UHFFFAOYSA-N
SMILES OC1=C(C(=O)N2CCOCCN21)C3=C(CC)C=C(C)C=C3CC
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor
An EC 6.4.1.* (C1C 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.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Number Type Source
31687354 Reaxys Registry Number Reaxys
Last Modified
10 May 2019