Details of Metabolite

General Information of MET (ID: META00676)
Name Ochratoxin A
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoate; (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; Antibiotic 9663; N-[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine; N-[(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]phenylalanine, 9ci; N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine; OTA; Ochratoxin a-bsa conjugate from aspergillus ochraceus; Phenylalanine - ochratoxin a
Source Endogenous;Food;Carcinogenic Potency;Toxins/Pollutant;TCM Ingredients
Structure Type   Ochratoxins and related substances  (Click to Show/Hide the Complete Structure Type Hierarchy)
Phenylpropanoids and polyketides
Ochratoxins and related substances
PubChem CID
442530
HMDB ID
HMDB0029399
Formula
C20H18ClNO6
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C09955
ChEBI ID
7719
FooDB ID
FDB000488
ChemSpider ID
390954
Physicochemical Properties Molecular Weight 403.8 Topological Polar Surface Area 113
XlogP 4.7 Complexity 608
Heavy Atom Count 28 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Function
Ochratoxin A is found in barley. Mycotoxin. Ochratoxin A is produced by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Ochratoxin A is found in stored grain products in UK (1997).Ochratoxin A, a toxin produced by Aspergillus ochraceus and Penicillium verrucosum, is one of the most abundant food-contaminating mycotoxins in the world. Human exposure occurs mainly through consumption of improperly stored 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 toxicity has large species- and sex-specific differences
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Sodium/anion cotransporter (SAC)
            Sodium-dependent phosphate transport 4 (SLC17A3) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of SLC17A3
                      Induced Change Ochratoxin A concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of SLC17A3 leads to the increase of ochratoxin A levels compared with control group.
References
1 Human sodium phosphate transporter 4 (hNPT4/SLC17A3) as a common renal secretory pathway for drugs and urate. J Biol Chem. 2010 Nov 5;285(45):35123-32.

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