clothianidin (CHEBI:39178)

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ChEBI Name	clothianidin

ChEBI ID	CHEBI:39178

Definition	An N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3.

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

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Formula

C6H8ClN5O2S

Net Charge

Average Mass

249.67800

Monoisotopic Mass

249.00872

InChI

InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)

InChIKey

PGOOBECODWQEAB-UHFFFAOYSA-N

SMILES

CNC(NCc1cnc(Cl)s1)=N[N+]([O-])=O

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. neonicotinoid insectide A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor. 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):	nicotinic acetylcholine receptor agonist An agonist that selectively binds to and activates a nicotinic acetylcholine receptor. neonicotinoid insectide A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor.

ChEBI Ontology
Outgoing	clothianidin (CHEBI:39178) has functional parent 2-chlorothiazole (CHEBI:39187) clothianidin (CHEBI:39178) has functional parent 2-nitroguanidine (CHEBI:39181) clothianidin (CHEBI:39178) has role environmental contaminant (CHEBI:78298) clothianidin (CHEBI:39178) has role neonicotinoid insectide (CHEBI:25540) clothianidin (CHEBI:39178) has role nicotinic acetylcholine receptor agonist (CHEBI:47958) clothianidin (CHEBI:39178) has role xenobiotic (CHEBI:35703) clothianidin (CHEBI:39178) is a 1,3-thiazoles (CHEBI:38418) clothianidin (CHEBI:39178) is a 2-nitroguanidine derivative (CHEBI:84773) clothianidin (CHEBI:39178) is a organochlorine compound (CHEBI:36683)

Incoming	(E)-clothianidin (CHEBI:39177) is a clothianidin (CHEBI:39178)

IUPAC Name

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine

Synonym	Source
CLO	ChEBI

Last Modified

28 April 2015

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag