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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:carboxylato-PTIO
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Accession:CHEBI:90704 term browser browse the term
Definition:A benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group.
Synonyms:exact_synonym: [2-(4-carboxylatophenyl)-4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl
 related_synonym: Formula=C14H16N2O4;   InChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)/p-1;   InChIKey=KWNDLWPKCDMGTN-UHFFFAOYSA-M;   SMILES=[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C;   carboxy-PTIO anion;   carboxy-PTIO(1-)
 cyclic_relationship: is_conjugate_base_of CHEBI:90702


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      molecular entity 19896
        ion 17108
          anion 16668
            radical anion 97
              carboxylato-PTIO 0
                potassium 2-(4-carboxylatophenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic ion 11457
                              organic anion 6856
                                carboxylic acid anion 2501
                                  monocarboxylic acid anion 1606
                                    benzoates 1285
                                      carboxylato-PTIO 0
                                        potassium 2-(4-carboxylatophenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide 0
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