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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:hapten OTAd
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Accession:CHEBI:141313 term browser browse the term
Definition:A synthetic phenylalanine derivative derived formally from the mycotoxin ochratoxin A by replacement of the methyl group at position 3 of the isochromene ring with a 4-carboxybutyl group.
Synonyms:exact_synonym: 5-(7-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-5-chloro-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)pentanoic acid
 related_synonym: 5-(7-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-5-chloro-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)pentanoic acid;   Formula=C24H24ClNO8;   InChI=1S/C24H24ClNO8/c25-17-12-16(22(30)26-18(23(31)32)10-13-6-2-1-3-7-13)21(29)20-15(17)11-14(34-24(20)33)8-4-5-9-19(27)28/h1-3,6-7,12,14,18,29H,4-5,8-11H2,(H,26,30)(H,27,28)(H,31,32)/t14?,18-/m0/s1;   InChIKey=FTWYAEHEAFBKQR-IBYPIGCZSA-N;   N-[[3-(4-carboxybutyl)-5-chloro-3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine;   SMILES=C1=CC=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC(=C3C(=C2O)C(OC(C3)CCCCC(=O)O)=O)Cl
 xref: PMID:29950703


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      biological role 5030
        hapten 0
          hapten OTAd 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    main group molecular entity 5025
                      s-block molecular entity 4957
                        hydrogen molecular entity 4950
                          hydrides 4555
                            organic hydride 4399
                              organic fundamental parent 4399
                                hydrocarbon 4359
                                  cyclic hydrocarbon 108
                                    monocyclic hydrocarbon 80
                                      annulene 80
                                        aromatic annulene 80
                                          benzene 80
                                            alkylbenzene 80
                                              methylbenzene 80
                                                toluene 80
                                                  benzyl group 79
                                                    phenylalanine 79
                                                      L-phenylalanine 79
                                                        L-phenylalanine derivative 79
                                                          N-acyl-L-phenylalanine 78
                                                            ochratoxin A 78
                                                              hapten OTAd 0
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