<?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_70984"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>N-isovalerylglycine</rdfs:label> <skos:notation>CHEBI:70984</skos:notation> <obo_purl:IAO_0000115>An N-acylglycine in which the acyl group is specified as isovaleryl.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>N-(3-methylbutanoyl)glycine</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>[(3-methylbutanoyl)amino]acetic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>PMID:22770225</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0000678</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19368345</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:4636318</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:6027258</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1766622</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:70984</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>N-isovalerylglycine</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>2-(3-Methylbutanoylamino)ethanoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-Isovaleroylglycine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-isopentanoylglycine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>isopentanoylglycine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>isovalerylglycine</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>nisovalerylglycine</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_70984"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C7H13NO3</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>ZRQXMKMBBMNNQC-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>159.18300</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>159.08954</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CC(C)CC(=O)NCC(O)=O</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_70984"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_70984"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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    <rdfs:label>N-isovalerylglycine</rdfs:label>
    <skos:notation>CHEBI:70984</skos:notation>
    <obo_purl:IAO_0000115>An N-acylglycine in which the acyl group is specified as isovaleryl.</obo_purl:IAO_0000115>
    <oboinowl_gen:hasExactSynonym>N-(3-methylbutanoyl)glycine</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasExactSynonym>[(3-methylbutanoyl)amino]acetic acid</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasDbXref>PMID:22770225</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>HMDB:HMDB0000678</oboinowl_gen:hasDbXref>
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    <oboinowl_gen:hasDbXref>PMID:4636318</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>PMID:6027258</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Reaxys:1766622</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
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    <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <metadata_def:prefLabel>N-isovalerylglycine</metadata_def:prefLabel>
    <oboinowl_gen:hasRelatedSynonym>2-(3-Methylbutanoylamino)ethanoic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>N-Isovaleroylglycine</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>N-isopentanoylglycine</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>isopentanoylglycine</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>isovalerylglycine</oboinowl_gen:hasRelatedSynonym>
    <metadata_def:mappingLoom>nisovalerylglycine</metadata_def:mappingLoom>
    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_70984"/>
    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
    <obo_purl:chebi/formula>C7H13NO3</obo_purl:chebi/formula>
    <obo_purl:chebi/inchi>InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)</obo_purl:chebi/inchi>
    <obo_purl:chebi/inchikey>ZRQXMKMBBMNNQC-UHFFFAOYSA-N</obo_purl:chebi/inchikey>
    <obo_purl:chebi/mass>159.18300</obo_purl:chebi/mass>
    <obo_purl:chebi/monoisotopicmass>159.08954</obo_purl:chebi/monoisotopicmass>
    <obo_purl:chebi/smiles>CC(C)CC(=O)NCC(O)=O</obo_purl:chebi/smiles>
  </owl:Class>
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  </rdf:Description>
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