trinexapac (CHEBI:83454)

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ChEBI Name	trinexapac

ChEBI ID	CHEBI:83454

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.

Supplier Information

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Formula

C11H12O5

Net Charge

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-

InChIKey

DFFWZNDCNBOKDI-KTKRTIGZSA-N

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.

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)

IUPAC Name

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

cimectacarb

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

cimetacarb

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

Citation	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