loading...| Preferred Name |
ochratoxin A |
| Synonyms |
(-)-N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine OTA Ochratoxin A (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-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid |
| 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. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_7719 |
| charge |
0 |
| database_cross_reference |
PMID:8956233 PMID:16293235 PMID:16097797 PMID:9894829 KEGG:C09955 Beilstein:1301486 PMID:33138019 PMID:16781114 HMDB:HMDB0029399 PMID:33338836 LINCS:LSM-5521 PMID:16022500 KNApSAcK:C00003008 CAS:303-47-9 PMID:19919898 Reaxys:1301486 PMID:16332622 PMID:17580629 PMID:17218050 PMID:18638518 PMID:16332628 PMID:23282670 PMID:15056805 PMID:23296271 PMID:11513689 PMID:33078253 PMID:11899122 PMID:20201966 PMID:23358140 PMID:33171643 PMID:29950703 Wikipedia:Ochratoxin_A PMID:17195275 PMID:23369011 PMID:18680942 PMID:8941986 |
| definition |
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. |
| formula |
C20H18ClNO6 |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_76956 http://purl.obolibrary.org/obo/CHEBI_38215 http://purl.obolibrary.org/obo/CHEBI_50905 http://purl.obolibrary.org/obo/CHEBI_61015 http://purl.obolibrary.org/obo/CHEBI_76964 |
| has_exact_synonym |
Ochratoxin A N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
(-)-N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine OTA (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-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid |
| id |
CHEBI:7719 |
| in_subset | |
| 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 |
| inchikey |
RWQKHEORZBHNRI-BMIGLBTASA-N |
| is conjugate acid of | |
| label |
ochratoxin A |
| mass |
403.820 |
| monoisotopicmass |
403.08227 |
| notation |
CHEBI:7719 |
| prefLabel |
ochratoxin A |
| 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 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_38762 http://purl.obolibrary.org/obo/CHEBI_29347 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_38762 http://purl.obolibrary.org/obo/CHEBI_29347 |