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ID	http://purl.obolibrary.org/obo/CHEBI_7719 http://purl.obolibrary.org/obo/CHEBI_7719 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_7719 Loading
Preferred name	ochratoxin A
Synonyms	N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine Ochratoxin A 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 See more See less
Definitions	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.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24532 Loading http://purl.obolibrary.org/obo/CHEBI_33575 Loading http://purl.obolibrary.org/obo/CHEBI_37622 Loading
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 See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:7719
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
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 See more See less
obo_purl:charge	0
obo_purl:formula	C20H18ClNO6
obo_purl: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:inchikey	RWQKHEORZBHNRI-BMIGLBTASA-N
obo_purl:mass	403.820
obo_purl:monoisotopicmass	403.08227
obo_purl: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

Subject	Author	Type	Created
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