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CHEBI:83454 - trinexapac

ChEBI IDCHEBI:83454
ChEBI Nametrinexapac
Stars
DefinitionA 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.
Last Modified14 June 2017
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESO=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1
InChIInChI=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-
InChIKeyDFFWZNDCNBOKDI-KTKRTIGZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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.
Application:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
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 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)
trinexapac (CHEBI:83454) is a β-hydroxy ketone (CHEBI:55380)
Incoming Relation(s)
trinexapac-ethyl (CHEBI:81817) has functional parent trinexapac (CHEBI:83454)
IUPAC Name 
4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylic acid
Synonyms  Source
cimetacarbAlan Wood's Pesticides
cimectacarbAlan Wood's Pesticides
(RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylic acidAlan Wood's Pesticides
4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acidAlan Wood's Pesticides
Manual XrefsDatabases
trinexapacAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11657039Reaxys
CAS:104273-73-6ChemIDplus
CAS:104273-73-6Alan Wood's Pesticides
CAS:143294-89-7ChemIDplus
Citations