<?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:ns0="https://w3id.org/chemrof/" 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_40410"> <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-acetylglycine</rdfs:label> <ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge> <ns0:generalized_empirical_formula>C4H7NO3</ns0:generalized_empirical_formula> <ns0:inchi_key_string>OKJIRPAQVSHGFK-UHFFFAOYSA-N</ns0:inchi_key_string> <ns0:inchi_string>InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)</ns0:inchi_string> <ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">117.104</ns0:mass> <ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">117.04259</ns0:monoisotopic_mass> <ns0:smiles_string>CC(=O)NCC(=O)O</ns0:smiles_string> <skos:notation>CHEBI:40410</skos:notation> <obo_purl:IAO_0000115>An &lt;em&gt;N&lt;/em&gt;-acylglycine where the acyl group is specified as acetyl.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>(acetylamino)acetic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>N-acetylglycine</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>cas:543-24-8</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>drugbank:DB02713</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>hmdb:HMDB0000532</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>patent:PT1356744E</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>pdb-ccd:AAC</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>pubmed:18564856</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>pubmed:20188778</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>pubmed:21749142</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>pubmed:22273063</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>pubmed:22770225</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>reaxys:774114</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:40410</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/> <metadata_def:prefLabel>N-acetylglycine</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>(acetylamino)acetic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Ac-Gly-OH</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Acetamidoacetic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Aceturic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Acetylamino-Acetic Acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Acetylaminoacetic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Acetylglycine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Ethanoylaminoethanoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-acetylglycine</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>nacetylglycine</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_40410"/> <oboinowl_gen:hasAlternativeId>CHEBI:21610</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:40405</oboinowl_gen:hasAlternativeId> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_40410"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_40410"/> </rdf:Description> </rdf:RDF>
<?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:ns0="https://w3id.org/chemrof/" 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_40410">
    <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-acetylglycine</rdfs:label>
    <ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
    <ns0:generalized_empirical_formula>C4H7NO3</ns0:generalized_empirical_formula>
    <ns0:inchi_key_string>OKJIRPAQVSHGFK-UHFFFAOYSA-N</ns0:inchi_key_string>
    <ns0:inchi_string>InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)</ns0:inchi_string>
    <ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">117.104</ns0:mass>
    <ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">117.04259</ns0:monoisotopic_mass>
    <ns0:smiles_string>CC(=O)NCC(=O)O</ns0:smiles_string>
    <skos:notation>CHEBI:40410</skos:notation>
    <obo_purl:IAO_0000115>An &lt;em&gt;N&lt;/em&gt;-acylglycine where the acyl group is specified as acetyl.</obo_purl:IAO_0000115>
    <oboinowl_gen:hasExactSynonym>(acetylamino)acetic acid</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasExactSynonym>N-acetylglycine</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasDbXref>cas:543-24-8</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>drugbank:DB02713</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>hmdb:HMDB0000532</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>patent:PT1356744E</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>pdb-ccd:AAC</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>pubmed:18564856</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>pubmed:20188778</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>pubmed:21749142</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>pubmed:22273063</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>pubmed:22770225</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>reaxys:774114</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
    <oboinowl_gen:id>CHEBI:40410</oboinowl_gen:id>
    <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    <metadata_def:prefLabel>N-acetylglycine</metadata_def:prefLabel>
    <oboinowl_gen:hasRelatedSynonym>(acetylamino)acetic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Ac-Gly-OH</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Acetamidoacetic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Aceturic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Acetylamino-Acetic Acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Acetylaminoacetic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Acetylglycine</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Ethanoylaminoethanoic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>N-acetylglycine</oboinowl_gen:hasRelatedSynonym>
    <metadata_def:mappingLoom>nacetylglycine</metadata_def:mappingLoom>
    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_40410"/>
    <oboinowl_gen:hasAlternativeId>CHEBI:21610</oboinowl_gen:hasAlternativeId>
    <oboinowl_gen:hasAlternativeId>CHEBI:40405</oboinowl_gen:hasAlternativeId>
  </owl:Class>
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    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_40410"/>
  </rdf:Description>
</rdf:RDF>