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hapten OTAf

Go to external page http://purl.obolibrary.org/obo/CHEBI_141331

A synthetic phenylalanine derivative consisting of a 1:1 diatereoisomeric mixture of ochratoxin A and its isochromenyl C-3 epimer.

Term info

Label

hapten OTAf

Synonyms
  • (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino]-3-phenylpropanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino]-3-phenylpropanoic acid [ IUPAC ]

charge

0

formula

C20H18ClNO6

has obo namespace

chebi_ontology

has related synonym

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

id

CHEBI:141331

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-/m0/s1

inchikey

RWQKHEORZBHNRI-WRXSAAJRSA-N

mass

403.814

monoisotopicmass

403.08227

smiles

C1=CC=CC=C1C[C@@H](C(O)=O)NC(=O)C2=CC(=C3C(=C2O)C(OC(C3)C)=O)Cl