<?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_7719"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>ochratoxin A</rdfs:label> <skos:notation>CHEBI:7719</skos:notation> <obo_purl:IAO_0000115>A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>Ochratoxin A</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:303-47-9</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0029399</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C09955</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KNApSAcK:C00003008</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LINCS:LSM-5521</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>NCIt:C44427</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11513689</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11899122</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:15056805</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16022500</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16097797</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16293235</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16332622</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16332628</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16781114</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17195275</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17218050</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17580629</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18638518</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18680942</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19919898</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20201966</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23282670</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23296271</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23358140</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23369011</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:29950703</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:33078253</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:33138019</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:33171643</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:33338836</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:8941986</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:8956233</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:9894829</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1301486</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Ochratoxin_A</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MESH:C025589</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:7719</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>ochratoxin A</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>OTA</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(-)-N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>ochratoxina</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_7719"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C20H18ClNO6</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>RWQKHEORZBHNRI-BMIGLBTASA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>403.820</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>403.08227</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_7719"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_7719"/> </rdf:Description> </rdf:RDF>