Ochratoxin A

Ochratoxin A
Names
	IUPAC name N-[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine
	Systematic IUPAC name (2S)-2-[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxamido]-3-phenylpropanoic acid
	Other names (R)-N- [(5-Chloro- 3,4-dihydro- 8-hydroxy- 3-methyl- 1-oxo- 1H-2-benzopyran-7-yl) -carbonyl]- L- phenylalanine; (−)-N- [(5-Chloro- 8-hydroxy- 3-methyl- 1-oxo- 7-isochromanyl) carbonyl]- 3-phenylalanine
Identifiers
CAS Number	303-47-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:7719 ;
ChEMBL	ChEMBL589366 ;
ChemSpider	390954 ;
ECHA InfoCard	100.005.586
EC Number	206-143-7;
IUPHAR/BPS	4672;
KEGG	C09955 ;
PubChem CID	442530;
UNII	1779SX6LUY ;
UN number	2811
CompTox Dashboard (EPA)	DTXSID7021073 ;
	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 Key: RWQKHEORZBHNRI-BMIGLBTASA-N ; InChI=1/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 Key: RWQKHEORZBHNRI-BMIGLBTABQ;
	SMILES O=C(O)[C@@H](NC(=O)c1c(O)c2c(c(Cl)c1)C[C@H](OC2=O)C)Cc3ccccc3;
Properties
Chemical formula	C20H18ClNO6
Molar mass	403.813
Melting point	169 °C (336 °F; 442 K)
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H300, H351, H413
Precautionary statements	P203, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P316, P318, P320, P321, P330, P337+P317, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Ochratoxin A—a toxin produced by different Aspergillus and Penicillium species — is one of the most-abundant food-contaminating mycotoxins. It is also a frequent contaminant of water-damaged houses and of heating ducts. Human exposure can occur through consumption of contaminated food products, particularly contaminated grain and pork products, as well as coffee, wine grapes, and dried grapes. The toxin has been found in the tissues and organs of animals, including human blood and breast milk. Ochratoxin A, like most toxic substances, has large species- and sex-specific toxicological differences.