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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:aspirin-based probe AP
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Accession:CHEBI:141699 term browser browse the term
Definition:A benzoate ester resulting from the formal condensation of the carboxy group of acetylsalicylic acid with the phenolic hydroxy group of 2-(1,3-benzothiazol-2-yl)-4-fluorophenol. The latter is a fluorophore which is to the aspirin moiety via an H2O2-responsive bond. It can be used as probe for imaging H2O2 (overproduction of H2O2 causes oxidative stress and is characteristic of vascular diseases). In contrast to arylboronat-based probes, it shows high specificity for H2O2 over peroxynitrite (which is much more reactive than H2O2, but exists at much lower abundance).
Synonyms:exact_synonym: 2-(1,3-benzothiazol-2-yl)-4-fluorophenyl 2-(acetyloxy)benzoate;   2-(1,3-benzothiazol-2-yl)-4-fluorophenyl 2-acetoxybenzoate
 related_synonym: 2-(1,3-benzothiazol-2-yl)-4-fluorophenyl salicylate;   Formula=C22H14FNO4S;   InChI=1S/C22H14FNO4S/c1-13(25)27-18-8-4-2-6-15(18)22(26)28-19-11-10-14(23)12-16(19)21-24-17-7-3-5-9-20(17)29-21/h2-12H,1H3;   InChIKey=TVZDIFFVBBTTIJ-UHFFFAOYSA-N;   SMILES=C=12C(=CC=CC1)N=C(S2)C=3C=C(C=CC3OC(C=4C(=CC=CC4)OC(C)=O)=O)F;   probe AP
 xref: PMID:29109778


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Term Annotations click to browse term
  CHEBI ontology 19876
    role 19851
      application 19687
        pharmaceutical 19514
          aspirin-based probe AP 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19876
    subatomic particle 19874
      composite particle 19874
        hadron 19874
          baryon 19874
            nucleon 19874
              atomic nucleus 19905
                atom 19905
                  main group element atom 19821
                    p-block element atom 19821
                      carbon group element atom 19768
                        carbon atom 19764
                          organic molecular entity 19764
                            organic group 18962
                              organic divalent group 18943
                                organodiyl group 18915
                                  carbonyl group 18869
                                    carbonyl compound 18869
                                      carboxylic acid 18618
                                        aromatic carboxylic acid 12023
                                          benzoic acids 11998
                                            benzoic acid 4829
                                              hydroxybenzoic acid 4273
                                                monohydroxybenzoic acid 2051
                                                  salicylic acid 1541
                                                    acetylsalicylic acid 670
                                                      aspirin-based probe AP 0
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