CHEBI:83496 - azoxystrobin acid

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ChEBI Name azoxystrobin acid
ChEBI ID CHEBI:83496
Definition An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 1-carboxy-2-methoxyethenyl substituent, also at C-2. It is a metabolite of the fungicidal agrochemical azoxystrobin.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H15N3O5
Net Charge 0
Average Mass 389.36090
Monoisotopic Mass 389.10117
InChI InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+
InChIKey IKCXDZCEWZARFL-FOWTUZBSSA-N
SMILES CO\C=C(\C(O)=O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing azoxystrobin acid (CHEBI:83496) has role marine xenobiotic metabolite (CHEBI:83399)
azoxystrobin acid (CHEBI:83496) is a aromatic ether (CHEBI:35618)
azoxystrobin acid (CHEBI:83496) is a aryloxypyrimidine (CHEBI:48535)
azoxystrobin acid (CHEBI:83496) is a enol ether (CHEBI:47985)
azoxystrobin acid (CHEBI:83496) is a nitrile (CHEBI:18379)
IUPAC Name
(2E)-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid
Synonym Source
(2E)-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate ChEBI
Registry Number Type Source
20497249 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19125578 PubMed citation Europe PMC
19452444 PubMed citation Europe PMC
20390941 PubMed citation Europe PMC
22773147 PubMed citation Europe PMC
24125711 PubMed citation Europe PMC
Last Modified
20 November 2014