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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 19786
    role 19732
      application 19423
        pharmaceutical 19321
          aspirin-based probe AP 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        aromatic carboxylic acid 11303
                                          benzoic acids 11274
                                            benzoic acid 3881
                                              hydroxybenzoic acid 3269
                                                monohydroxybenzoic acid 1291
                                                  salicylic acid 770
                                                    acetylsalicylic acid 652
                                                      aspirin-based probe AP 0
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