CHEBI:39178 - clothianidin

Main ChEBI Ontology Automatic Xrefs
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 0
Average Mass 249.67800
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.
View more via ChEBI Ontology
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-thiazole (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
Database Links Databases
C18508 KEGG COMPOUND
clothianidin Alan Wood's Pesticides
Clothianidin Wikipedia
CT4 PDBeChem
View more database links
Registry Numbers Types Sources
9196326 Beilstein Registry Number Beilstein
9196326 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
28 April 2015
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag