CHEBI:81788 - cymoxanil

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ChEBI Name cymoxanil
ChEBI ID CHEBI:81788
Definition A member of the class of ureas that is urea in which the two nitrogen atoms are substituted by an ethyl group and a 2-cyano-2-(methoxyimino)acetyl group respectively. A fungicide used to control Peronosporales on a range of crops including vines, hops and potatoes.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H10N4O3
Net Charge 0
Average Mass 198.17930
Monoisotopic Mass 198.07529
InChI InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)
InChIKey XERJKGMBORTKEO-UHFFFAOYSA-N
SMILES CCNC(=O)NC(=O)C(=NOC)C#N
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via aliphatic nitrogen antifungal agent )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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ChEBI Ontology
Outgoing cymoxanil (CHEBI:81788) has role antifungal agrochemical (CHEBI:86328)
cymoxanil (CHEBI:81788) has role environmental contaminant (CHEBI:78298)
cymoxanil (CHEBI:81788) has role xenobiotic (CHEBI:35703)
cymoxanil (CHEBI:81788) is a aliphatic nitrogen antifungal agent (CHEBI:86417)
cymoxanil (CHEBI:81788) is a nitrile (CHEBI:18379)
cymoxanil (CHEBI:81788) is a oxime O-ether (CHEBI:36816)
cymoxanil (CHEBI:81788) is a ureas (CHEBI:47857)
IUPAC Name
2-cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide
Synonym Source
1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea ChemIDplus
Manual Xrefs Databases
196 PPDB
C18498 KEGG COMPOUND
cymoxanil Alan Wood's Pesticides
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Registry Numbers Types Sources
2214017 Reaxys Registry Number Reaxys
57966-95-7 CAS Registry Number ChemIDplus
57966-95-7 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24791955 PubMed citation Europe PMC
25212392 PubMed citation Europe PMC
25236328 PubMed citation Europe PMC
25306333 PubMed citation Europe PMC
Last Modified
10 July 2015