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Substance Name: Valyl-ochratoxin A
RN: 56222-78-7
InChIKey: ANSGZDZCHNYETO-KRTXAFLBSA-N

Note

  • Phenylalanyl moiety of ochratoxin A replaced by valine; inhibitor of yeast valyl-tRNA synthetase.

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C16-H18-Cl-N-O6

Molecular Weight

  • 355.772
 
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Names and Synonyms

Name of Substance

  • Valyl-ochratoxin A

Synonym

  • N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)valine

Systematic Names

  • L-Valine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
  • Valine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-

Registry Numbers

CAS Registry Number

  • 56222-78-7

System Generated Number

  • 0056222787

Structure Descriptors

InChI

1S/C16H18ClNO6/c1-6(2)12(15(21)22)18-14(20)9-5-10(17)8-4-7(3)24-16(23)11(8)13(9)19/h5-7,12,19H,4H2,1-3H3,(H,18,20)(H,21,22)/t7-,12+/m1/s1

InChIKey

ANSGZDZCHNYETO-KRTXAFLBSA-N

Smiles

C([C@@H](NC(=O)c1c(c2c(C[C@H](OC2=O)C)c(c1)Cl)O)C(C)C)(=O)O