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ONTOLOGY REPORT - ANNOTATIONS


Term:hapten OTAb
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Accession:CHEBI:141300 term browser browse the term
Definition:A synthetic phenylalanine derivative derived formally from the mycotoxin ochratoxin A by substitution at position 4 of the phenyl ring with a 5-carboxypentyl group.
Synonyms:exact_synonym: 6-(4-{(2S)-2-carboxy-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino]ethyl}phenyl)hexanoic acid
 related_synonym: 4-(5-carboxypentyl)-N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-L-phenylalanine;   6-{4-[(2S)-2-carboxy-2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino}ethyl]phenyl}hexanoic acid;   Formula=C26H28ClNO8;   InChI=1S/C26H28ClNO8/c1-14-11-17-19(27)13-18(23(31)22(17)26(35)36-14)24(32)28-20(25(33)34)12-16-9-7-15(8-10-16)5-3-2-4-6-21(29)30/h7-10,13-14,20,31H,2-6,11-12H2,1H3,(H,28,32)(H,29,30)(H,33,34)/t14?,20-/m0/s1;   InChIKey=JQANLPZXPZFWFL-LGTGAQBVSA-N;   SMILES=C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC(=C3C(=C2O)C(OC(C3)C)=O)Cl)CCCCCC(=O)O
 xref: PMID:29950703 "Europe PMC"


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Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        hapten 2962
          hapten OTAb 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    main group molecular entity 19545
                      s-block molecular entity 19329
                        hydrogen molecular entity 19319
                          hydrides 18242
                            organic hydride 17528
                              organic fundamental parent 17528
                                hydrocarbon 16935
                                  cyclic hydrocarbon 15098
                                    monocyclic hydrocarbon 5631
                                      annulene 5447
                                        aromatic annulene 5447
                                          benzene 5447
                                            alkylbenzene 3187
                                              methylbenzene 3048
                                                toluene 2909
                                                  benzyl group 2351
                                                    phenylalanine 2351
                                                      L-phenylalanine 2096
                                                        L-phenylalanine derivative 2085
                                                          N-acyl-L-phenylalanine 1242
                                                            ochratoxin A 1242
                                                              hapten OTAb 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.