CHEBI:39678 - metsulfuron methyl

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ChEBI Name metsulfuron methyl
Definition A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6910
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Formula C14H15N5O6S
Net Charge 0
Average Mass 381.36400
Monoisotopic Mass 381.074
InChI InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
Application(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing metsulfuron methyl (CHEBI:39678) has role environmental contaminant (CHEBI:78298)
metsulfuron methyl (CHEBI:39678) has role herbicide (CHEBI:24527)
metsulfuron methyl (CHEBI:39678) has role xenobiotic (CHEBI:35703)
metsulfuron methyl (CHEBI:39678) is a 1,3,5-triazines (CHEBI:26588)
metsulfuron methyl (CHEBI:39678) is a N-sulfonylurea (CHEBI:76983)
metsulfuron methyl (CHEBI:39678) is a benzoate ester (CHEBI:36054)
methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate
Synonyms Sources
Metsulfuron methyl KEGG COMPOUND
Metsulfuron methyl ester ChemIDplus
metsulfuron-methyl ChEBI
Manual Xrefs Databases
1MM PDBeChem
470 PPDB
metsulfuron-methyl Alan Wood's Pesticides
Metsulfuron-methyl Wikipedia
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Registry Numbers Types Sources
587472 Reaxys Registry Number Reaxys
74223-64-6 CAS Registry Number KEGG COMPOUND
74223-64-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21036398 PubMed citation Europe PMC
23348034 PubMed citation Europe PMC
23972318 PubMed citation Europe PMC
Last Modified
06 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag