<?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_73018"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>tiglylglycine</rdfs:label> <skos:notation>CHEBI:73018</skos:notation> <obo_purl:IAO_0000115>An N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>N-[(2E)-2-methylbut-2-enoyl]glycine</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:35842-45-6</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0000959</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:2206218</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:73018</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>tiglylglycine</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>N-Tiglylglycine</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>tiglylglycine</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73018"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C7H11NO3</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>WRUSVQOKJIDBLP-HWKANZROSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>157.16710</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>157.07389</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>C\C=C(/C)C(=O)NCC(O)=O</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73018"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73018"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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  <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_73018">
    <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/>
    <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/>
    <rdfs:label>tiglylglycine</rdfs:label>
    <skos:notation>CHEBI:73018</skos:notation>
    <obo_purl:IAO_0000115>An N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group.</obo_purl:IAO_0000115>
    <oboinowl_gen:hasExactSynonym>N-[(2E)-2-methylbut-2-enoyl]glycine</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasDbXref>CAS:35842-45-6</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>HMDB:HMDB0000959</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Reaxys:2206218</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
    <oboinowl_gen:id>CHEBI:73018</oboinowl_gen:id>
    <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <metadata_def:prefLabel>tiglylglycine</metadata_def:prefLabel>
    <oboinowl_gen:hasRelatedSynonym>N-Tiglylglycine</oboinowl_gen:hasRelatedSynonym>
    <metadata_def:mappingLoom>tiglylglycine</metadata_def:mappingLoom>
    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73018"/>
    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
    <obo_purl:chebi/formula>C7H11NO3</obo_purl:chebi/formula>
    <obo_purl:chebi/inchi>InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+</obo_purl:chebi/inchi>
    <obo_purl:chebi/inchikey>WRUSVQOKJIDBLP-HWKANZROSA-N</obo_purl:chebi/inchikey>
    <obo_purl:chebi/mass>157.16710</obo_purl:chebi/mass>
    <obo_purl:chebi/monoisotopicmass>157.07389</obo_purl:chebi/monoisotopicmass>
    <obo_purl:chebi/smiles>C\C=C(/C)C(=O)NCC(O)=O</obo_purl:chebi/smiles>
  </owl:Class>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73018">
    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73018"/>
  </rdf:Description>
</rdf:RDF>