CHEBI:83454 - trinexapac

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ChEBI Name trinexapac
Definition A monocarboxylic acid that is 3,5-dioxocyclohexanecarboxylic acid substituted by a cyclopropyl(hydroxy)methylidene group at position 4. It is a metabolite of the plant growth regulator trinexapac-ethyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H12O5
Net Charge 0
Average Mass 224.210
Monoisotopic Mass 224.06847
InChI InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)/b10-9-
SMILES C/1(\C(CC(CC1=O)C(O)=O)=O)=C(\C2CC2)/O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): gibberellin biosynthesis inhibitor
Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins.
plant growth regulator
A chemical, natural or artificial, that can affect the rate of growth of a plant.
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing trinexapac (CHEBI:83454) has role agrochemical (CHEBI:33286)
trinexapac (CHEBI:83454) has role gibberellin biosynthesis inhibitor (CHEBI:73193)
trinexapac (CHEBI:83454) has role marine xenobiotic metabolite (CHEBI:83399)
trinexapac (CHEBI:83454) has role plant growth regulator (CHEBI:26155)
trinexapac (CHEBI:83454) is a β-hydroxy ketone (CHEBI:55380)
trinexapac (CHEBI:83454) is a cyclohexanones (CHEBI:23482)
trinexapac (CHEBI:83454) is a cyclopropanes (CHEBI:51454)
trinexapac (CHEBI:83454) is a enol (CHEBI:33823)
trinexapac (CHEBI:83454) is a monocarboxylic acid (CHEBI:25384)
Incoming trinexapac-ethyl (CHEBI:81817) has functional parent trinexapac (CHEBI:83454)
4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylic acid
Synonyms Sources
(RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylic acid Alan Wood's Pesticides
4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid Alan Wood's Pesticides
Note: (2017-06-09) This name has been used in the literature, but has no official status. [Alan Wood's Pesticide Database]
Alan Wood's Pesticides
Note: (2017-06-09) This name has been used in the literature, but has no official status. [Alan Wood's Pesticide Database]
Alan Wood's Pesticides
Manual Xref Database
trinexapac Alan Wood's Pesticides
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Registry Numbers Types Sources
104273-73-6 CAS Registry Number ChemIDplus
104273-73-6 CAS Registry Number Alan Wood's Pesticides
11657039 Reaxys Registry Number Reaxys
143294-89-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
13129284 PubMed citation Europe PMC
Last Modified
14 June 2017
General Comments
2014-10-29 Metabolite of Trinexapac-ethyl
2014-10-29 Suggested Classification: ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575);
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag