@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://purl.obolibrary.org/obo/chebi/> .
obo_purl:CHEBI_15930
metadata_def:mappingLoom "atrazine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_15930 ;
metadata_def:prefLabel "atrazine" ;
ns1:has_role obo_purl:CHEBI_33286 ;
obo_purl:IAO_0000115 "A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group." ;
ns2:charge "0" ;
ns2:formula "C8H14ClN5" ;
ns2:inchi "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)" ;
ns2:inchikey "MXWJVTOOROXGIU-UHFFFAOYSA-N" ;
ns2:mass "215.68316" ;
ns2:monoisotopicmass "215.09377" ;
ns2:smiles "CCNc1nc(Cl)nc(NC(C)C)n1" ;
oboinowl_gen:hasAlternativeId "CHEBI:13865", "CHEBI:22672", "CHEBI:2916", "CHEBI:49479" ;
oboinowl_gen:hasDbXref "CAS:1912-24-9", "DrugBank:DB07392", "HMDB:HMDB0041830", "KEGG:C06551", "LINCS:LSM-18990", "MESH:D001280", "MetaCyc:ATRAZINE", "NCIt:C26311", "PDBeChem:ATZ", "PMID:24211529", "PMID:24239819", "PMID:24246238", "PPDB:43", "Reaxys:612020", "SNOMEDCT:85612002", "UM-BBD_compID:c0002", "Wikipedia:Atrazine" ;
oboinowl_gen:hasExactSynonym "6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine", "Atrazine", "atrazine" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE", "2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine", "2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine", "2-chloro-4-ethylamino-6-isopropylamino-s-triazine", "2-ethylamino-4-isopropylamino-6-chloro-s-triazine", "6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine", "6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine" ;
oboinowl_gen:id "CHEBI:15930" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "atrazine" ;
rdfs:subClassOf obo_purl:CHEBI_24532 ;
skos:notation "CHEBI:15930" .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://purl.obolibrary.org/obo/chebi/> .
obo_purl:CHEBI_15930
metadata_def:mappingLoom "atrazine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_15930 ;
metadata_def:prefLabel "atrazine" ;
ns1:has_role obo_purl:CHEBI_33286 ;
obo_purl:IAO_0000115 "A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group." ;
ns2:charge "0" ;
ns2:formula "C8H14ClN5" ;
ns2:inchi "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)" ;
ns2:inchikey "MXWJVTOOROXGIU-UHFFFAOYSA-N" ;
ns2:mass "215.68316" ;
ns2:monoisotopicmass "215.09377" ;
ns2:smiles "CCNc1nc(Cl)nc(NC(C)C)n1" ;
oboinowl_gen:hasAlternativeId "CHEBI:13865", "CHEBI:22672", "CHEBI:2916", "CHEBI:49479" ;
oboinowl_gen:hasDbXref "CAS:1912-24-9", "DrugBank:DB07392", "HMDB:HMDB0041830", "KEGG:C06551", "LINCS:LSM-18990", "MESH:D001280", "MetaCyc:ATRAZINE", "NCIt:C26311", "PDBeChem:ATZ", "PMID:24211529", "PMID:24239819", "PMID:24246238", "PPDB:43", "Reaxys:612020", "SNOMEDCT:85612002", "UM-BBD_compID:c0002", "Wikipedia:Atrazine" ;
oboinowl_gen:hasExactSynonym "6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine", "Atrazine", "atrazine" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE", "2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine", "2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine", "2-chloro-4-ethylamino-6-isopropylamino-s-triazine", "2-ethylamino-4-isopropylamino-6-chloro-s-triazine", "6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine", "6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine" ;
oboinowl_gen:id "CHEBI:15930" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "atrazine" ;
rdfs:subClassOf obo_purl:CHEBI_24532 ;
skos:notation "CHEBI:15930" .