ochratoxin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 223
Total Number of Articles : 213
PubChem 442530
Molecular Formula

C20H18ClNO6

SMILES

C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl

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

synonyms
  • OCHRATOXIN A
  • 303-47-9
  • Phenylalanine - ochratoxin A
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Properties
Property Value
MW 403.8 g/mol
HBD 3
HBA 6
Rotatable Bond Count 5
Exact Mass 403.0822650 g/mol
Monoisotopic Mass 403.0822650 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 608
xlogp 4.7
Topological Polar Surface Area 113