CHEBI:141525 - ochratoxin C

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ChEBI Name ochratoxin C
ChEBI ID CHEBI:141525
Definition A phenylalanine derivative that is the ethyl ester of ochratoxin A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H22ClNO6
Net Charge 0
Average Mass 431.867
Monoisotopic Mass 431.11357
InChI InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1
InChIKey BPZZWRPHVVDAPT-PXAZEXFGSA-N
SMILES C1=CC=CC=C1C[C@@H](C(=O)OCC)NC(=O)C2=CC(=C3C(=C2O)C(O[C@@H](C3)C)=O)Cl
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
mycotoxin
Poisonous substance produced by fungi.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ochratoxin C (CHEBI:141525) has functional parent ochratoxin A (CHEBI:7719)
ochratoxin C (CHEBI:141525) has role Aspergillus metabolite (CHEBI:76956)
ochratoxin C (CHEBI:141525) has role Penicillium metabolite (CHEBI:76964)
ochratoxin C (CHEBI:141525) has role mycotoxin (CHEBI:25442)
ochratoxin C (CHEBI:141525) is a α-amino acid ester (CHEBI:46874)
ochratoxin C (CHEBI:141525) is a isochromanes (CHEBI:38762)
ochratoxin C (CHEBI:141525) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name
ethyl N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalaninate
Synonyms Sources
ethyl (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoate IUPAC
ethyl N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalaninate IUPAC
Ochratoxin A ethyl ester ChemIDplus
OTC ChEBI
Registry Number Type Source
4865-85-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23604760 PubMed citation Europe PMC
23606156 PubMed citation Europe PMC
28535353 PubMed citation Europe PMC
29428592 PubMed citation Europe PMC
29950703 PubMed citation Europe PMC
33338836 PubMed citation Europe PMC
6476830 PubMed citation Europe PMC
Last Modified
15 February 2021