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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_39178
http://purl.obolibrary.org/obo/CHEBI_39178
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_39178
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Preferred name
clothianidin
Synonyms
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
CLO
Definitions
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.
Raw data
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_35703
http://purl.obolibrary.org/obo/CHEBI_25540
http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CNC(NCc1cnc(Cl)s1)=N[N+]([O-])=O
obo_purl:charge
0
obo_purl:inchikey
PGOOBECODWQEAB-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_35703
http://purl.obolibrary.org/obo/CHEBI_25540
http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:hasDbXref
PMID:25835428
PMID:22253863
Pesticides:clothianidin
PMID:21538459
Beilstein:9196326
PMID:22311678
PMID:22459421
PMID:22083888
Wikipedia:Clothianidin
PDBeChem:CT4
PMID:22431174
PMID:22025502
PMID:25828917
PMID:22290809
PMID:19583978
PMID:20873771
Reaxys:9196326
PMID:22235278
PMID:22076810
KEGG:C18508
PMID:25839080
PMID:21510196
PMID:22286500
PMID:21404859
PMID:20824681
obo_purl:IAO_0000115
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.
skos:notation
CHEBI:39178
oboinowl_gen:hasExactSynonym
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
obo_purl:mass
249.67800
obo_purl: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)
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_39187
obo_purl:formula
C6H8ClN5O2S
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
CLO
oboinowl_gen:id
CHEBI:39178
rdfs:label
clothianidin
obo_purl:monoisotopicmass
249.00872
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_38418
http://purl.obolibrary.org/obo/CHEBI_36683
http://purl.obolibrary.org/obo/CHEBI_84773
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