<?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_133738"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18059"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_29067"/> <rdfs:label>2-hydroxyhexanoate</rdfs:label> <ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">-1</ns0:charge> <ns0:generalized_empirical_formula>C6H11O3</ns0:generalized_empirical_formula> <ns0:inchi_key_string>NYHNVHGFPZAZGA-UHFFFAOYSA-M</ns0:inchi_key_string> <ns0:inchi_string>InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1</ns0:inchi_string> <ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">131.151</ns0:mass> <ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">131.07137</ns0:monoisotopic_mass> <ns0:smiles_string>CCCCC(O)C(=O)[O-]</ns0:smiles_string> <skos:notation>CHEBI:133738</skos:notation> <obo_purl:IAO_0000115>A hydroxy fatty acid anion which is obtained by deprotonation of the carboxy group of 2-hydroxyhexanoic acid.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>2-hydroxyhexanoate</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:133738</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/> <metadata_def:prefLabel>2-hydroxyhexanoate</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>2-hydroxycaproate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-hydroxyhexanoate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-hydroxyhexanoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>alpha-hydroxycaproate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>alpha-hydroxyhexanoate</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>2hydroxyhexanoate</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_133738"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_133738"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_133738"/> </rdf:Description> </rdf:RDF>