<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_59607"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_36683"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35273"/> <rdfs:label>quaternium-15</rdfs:label> <skos:notation>CHEBI:59607</skos:notation> <obo_purl:IAO_0000115>A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>PMID:21616561</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Beilstein:9300843</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:4080-31-3</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:15462465</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20433443</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20448270</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22653068</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:26821003</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:59607</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>quaternium-15</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>CTAC</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Hexamethylenetetramine chloroallyl chloride</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Methenamine 3-chloroallylochloride</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-(3-Chloroallyl)hexaminium chloride</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>quaternium 15</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>quaternium15</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_59607"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33282"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48219"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50904"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_59174"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C9H16Cl2N4</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>UKHVLWKBNNSRRR-UHFFFAOYSA-M</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>251.15600</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>250.07520</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2</obo_purl:chebi/smiles> <ns0:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_6824"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9001024"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_59607"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_59607"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>