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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > ochratoxin a
organooxygen compound > carboxamide > monocarboxylic acid amide > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > ochratoxin a
organochlorine compound > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > l-phenylalanine derivative > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proteinogenic amino acid derivative > l-phenylalanine derivative > n-acyl-l-phenylalanine > ochratoxin a
... > organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > organooxygen compound > carboxamide > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > ochratoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > ochratoxin a

Preferred term

ochratoxin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H18ClNO6

has_functional_parent

has_role

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

inchikey

  • RWQKHEORZBHNRI-BMIGLBTASA-N

is_conjugate_acid_of

mass

  • 403.820

monoisotopicmass

  • 403.08227

smiles

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

subset

  • 3_STAR

synonym EXACT

  • N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine
  • Ochratoxin A

synonym RELATED

  • (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid
  • N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine
  • N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine
  • N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine
  • (-)-N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine
  • OTA
  • (R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:7719

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