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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 19867
    role 19837
      application 19682
        pharmaceutical 19517
          aspirin-based probe AP 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    p-block element atom 19803
                      carbon group element atom 19744
                        carbon atom 19740
                          organic molecular entity 19740
                            heteroorganic entity 19512
                              organochalcogen compound 19273
                                organooxygen compound 19189
                                  carbon oxoacid 18660
                                    carboxylic acid 18657
                                      aromatic carboxylic acid 12729
                                        benzoic acids 12707
                                          benzoic acid 5519
                                            hydroxybenzoic acid 4994
                                              monohydroxybenzoic acid 2819
                                                salicylic acid 1569
                                                  acetylsalicylic acid 670
                                                    aspirin-based probe AP 0
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