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CHEBI:81780 - pyriminobac-methyl

ChEBI IDCHEBI:81780
ChEBI Namepyriminobac-methyl
Stars
DefinitionA benzoate ester resulting from the formal condensation of the carboxy group of pyriminobac with methanol.
Last Modified2 February 2022
DownloadsMolfile
FormulaC17H19N3O6
Net Charge0
Average Mass361.354
Monoisotopic Mass361.12739
SMILESCON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC
InChIInChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3
InChIKeyUSSIUIGPBLPCDF-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.2.1.6 (acetolactate synthase) inhibitor  An EC 2.2.1.* (transketolase/transaldolase) inhibitor that interferes with the action of acetolactate synthase (EC 2.2.1.6).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
pyriminobac-methyl (CHEBI:81780) has functional parent pyriminobac (CHEBI:82038)
pyriminobac-methyl (CHEBI:81780) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
pyriminobac-methyl (CHEBI:81780) has role herbicide (CHEBI:24527)
pyriminobac-methyl (CHEBI:81780) is a aromatic ether (CHEBI:35618)
pyriminobac-methyl (CHEBI:81780) is a benzoate ester (CHEBI:36054)
pyriminobac-methyl (CHEBI:81780) is a methyl ester (CHEBI:25248)
pyriminobac-methyl (CHEBI:81780) is a oxime O-ether (CHEBI:36816)
pyriminobac-methyl (CHEBI:81780) is a pyrimidines (CHEBI:39447)
IUPAC Name 
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(N-methoxyethanimidoyl)benzoate
Synonyms  Source
methyl 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[1-(methoxyimino)ethyl]benzoateChEBI
KUH-920PPDB
KIH-6127PPDB
Manual XrefsDatabases
C18486KEGG COMPOUND
HMDB0040546HMDB
FDB020316FooDB
1581PPDB
derivatives/pyriminobac-methylAlan Wood's Pesticides
16738654ChemSpider
Registry NumbersSources
Reaxys:8396145Reaxys
CAS:136191-64-5ChemIDplus
Citations