<?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_21565"> <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-acetyl-L-valine</rdfs:label> <skos:notation>CHEBI:21565</skos:notation> <obo_purl:IAO_0000115>An L-valine derivative in which one of the amino hydrogens of L-valine has been replaced by an acetyl group.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>N-acetyl-L-valine</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:96-81-1</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1723837</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:21565</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>N-acetyl-L-valine</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>(2S)-2-acetamido-3-methylbutanoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-Acetylvaline</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>nacetyllvaline</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_21565"/> <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/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>IHYJTAOFMMMOPX-LURJTMIESA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>159.183</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>159.08954</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>O=C(O)[C@@H](NC(=O)C)C(C)C</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_21565"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_21565"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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    <oboinowl_gen:hasDbXref>CAS:96-81-1</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Reaxys:1723837</oboinowl_gen:hasDbXref>
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    <oboinowl_gen:hasRelatedSynonym>(2S)-2-acetamido-3-methylbutanoic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>N-Acetylvaline</oboinowl_gen:hasRelatedSynonym>
    <metadata_def:mappingLoom>nacetyllvaline</metadata_def:mappingLoom>
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    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
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    <obo_purl:chebi/monoisotopicmass>159.08954</obo_purl:chebi/monoisotopicmass>
    <obo_purl:chebi/smiles>O=C(O)[C@@H](NC(=O)C)C(C)C</obo_purl:chebi/smiles>
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