<?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/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_73224"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_52221"/> <rdfs:label>allyl isothiocyanate</rdfs:label> <rdfs:label rdf:datatype="http://www.w3.org/XML/1998/namespacestring">allyl isothiocyanate</rdfs:label> <skos:notation>CHEBI:73224</skos:notation> <obo_purl:IAO_0000115>An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>3-isothiocyanatoprop-1-ene</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>allyl isothiocyanate</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:57-06-7</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0005843</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C19317</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D02818</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20174640</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21237300</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21711355</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22093285</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22104119</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22131350</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22265303</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23008020</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23072699</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23212023</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23470258</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23535540</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23757176</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:773748</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Allyl_isothiocyanate</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:73224</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>allyl isothiocyanate</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>2-propenyl isothiocyanate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>3-Isothiocyanato-1-propene</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>3-isothiocyanato-1-propene</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>AIT</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>AITC</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Allylsenfoel</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Mustard oil</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Senf oel</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>allyl isosulfocyanate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>allyl mustard oil</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>isothiocyanate d'allyle</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>isothiocyanic acid allyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>oil of mustard</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>oleum sinapis</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>volatile mustard oil</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>volatile oil of mustard</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>allylisothiocyanate</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73224"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C4H5NS</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>ZOJBYZNEUISWFT-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>99.15400</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>99.01427</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>C=CCN=C=S</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73224"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73224"/> </rdf:Description> </rdf:RDF>