{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","metadata_def":"http://data.bioontology.org/metadata/def/","ns1":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_7719","@type":"owl:Class","rdfs:subClassOf":[{"@id":"obo_purl:CHEBI_24532"},{"@id":"obo_purl:CHEBI_33575"},{"@id":"obo_purl:CHEBI_37622"}],"rdfs:label":"ochratoxin A","skos:notation":"CHEBI:7719","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.","oboinowl_gen:hasExactSynonym":["N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine","Ochratoxin A"],"oboinowl_gen:hasDbXref":["CAS:303-47-9","HMDB:HMDB0029399","KEGG:C09955","KNApSAcK:C00003008","LINCS:LSM-5521","NCIt:C44427","PMID:11513689","PMID:11899122","PMID:15056805","PMID:16022500","PMID:16097797","PMID:16293235","PMID:16332622","PMID:16332628","PMID:16781114","PMID:17195275","PMID:17218050","PMID:17580629","PMID:18638518","PMID:18680942","PMID:19919898","PMID:20201966","PMID:23282670","PMID:23296271","PMID:23358140","PMID:23369011","PMID:29950703","PMID:33078253","PMID:33138019","PMID:33171643","PMID:33338836","PMID:8941986","PMID:8956233","PMID:9894829","Reaxys:1301486","Wikipedia:Ochratoxin_A","MESH:C025589"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:7719","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"metadata_def:prefLabel":"ochratoxin A","oboinowl_gen:hasRelatedSynonym":["OTA","N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine","(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid","(R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine","N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine","N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine","(-)-N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine"],"metadata_def:mappingLoom":"ochratoxina","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_7719"},"ns1:charge":"0","ns1:formula":"C20H18ClNO6","ns1: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","ns1:inchikey":"RWQKHEORZBHNRI-BMIGLBTASA-N","ns1:mass":"403.820","ns1:monoisotopicmass":"403.08227","ns1: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"}