deltamethrin (CHEBI:4388)

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ChEBI Name	deltamethrin

ChEBI ID	CHEBI:4388

Definition	A cyclopropanecarboxylate ester obtained by formal condensation between 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. It is the active insecticide of the proinsecticide tralomethrin.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C22H19Br2NO3

Net Charge

Average Mass

505.19920

Monoisotopic Mass

502.97317

InChI

InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1

InChIKey

OWZREIFADZCYQD-NSHGMRRFSA-N

SMILES

CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1

Roles Classification
Biological Role(s):	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16). calcium channel agonist Agents that increase calcium influx into calcium channels of excitable tissues. pyrethroid ester insecticide

Application(s):	pyrethroid ester insecticide agrochemical An agrochemical is a substance that is used in agriculture or horticulture. antifeedant A substance that prevents pests from feeding.

ChEBI Ontology
Outgoing	deltamethrin (CHEBI:4388) has functional parent cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39344) deltamethrin (CHEBI:4388) has role agrochemical (CHEBI:33286) deltamethrin (CHEBI:4388) has role antifeedant (CHEBI:22583) deltamethrin (CHEBI:4388) has role calcium channel agonist (CHEBI:38807) deltamethrin (CHEBI:4388) has role EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor (CHEBI:37153) deltamethrin (CHEBI:4388) has role pyrethroid ester insecticide (CHEBI:39116) deltamethrin (CHEBI:4388) is a aromatic ether (CHEBI:35618) deltamethrin (CHEBI:4388) is a cyclopropanecarboxylate ester (CHEBI:50351) deltamethrin (CHEBI:4388) is a nitrile (CHEBI:18379) deltamethrin (CHEBI:4388) is a organobromine compound (CHEBI:37141)

IUPAC Name

(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate

Synonyms	Sources
(S)-α-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate	Alan Wood's Pesticides
(S)-α-cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate	Alan Wood's Pesticides
(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate	Alan Wood's Pesticides
decamethrin	KEGG COMPOUND
decamethrine	DrugCentral
Deltamethrin	KEGG COMPOUND

Last Modified

31 October 2020