<?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_30887"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/> <rdfs:label>isocitric acid</rdfs:label> <skos:notation>CHEBI:30887</skos:notation> <obo_purl:IAO_0000115>A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>1-hydroxypropane-1,2,3-tricarboxylic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>3-carboxy-2,3-dideoxypentaric acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>Isocitric acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:320-77-4</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>DrugBank:DB01727</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>ECMDB:ECMDB04088</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0000193</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C00311</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KNApSAcK:C00001188</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MetaCyc:Isocitrate</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17439666</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23989918</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24702026</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1727945</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Isocitric_acid</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>YMDB:YMDB00026</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:30887</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>isocitric acid</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>1-Hydroxypropane-1,2,3-tricarboxylic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>1-Hydroxytricarballylic acid</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>isocitricacid</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30887"/> <oboinowl_gen:hasAlternativeId>CHEBI:24886</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:5998</oboinowl_gen:hasAlternativeId> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C6H8O7</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>ODBLHEXUDAPZAU-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>192.12352</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>192.02700</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>OC(C(CC(O)=O)C(O)=O)C(O)=O</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://www.ebi.ac.uk/efo/EFO_0801156"> <obo_purl:IAO_0000136> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_30887"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30887"/> </rdf:Description> </obo_purl:IAO_0000136> </rdf:Description> </rdf:RDF>