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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:4-hydroxy-TEMPO benzoate
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Accession:CHEBI:180676 term browser browse the term
Definition:A member of the class of piperidines that is TEMPO carrying a benzoyloxy group at position 4.
Synonyms:exact_synonym: [4-(benzoyloxy)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl
 related_synonym: 2,2,6,6-Tetramethyl-4-(benzoyloxy)piperidine-1-oxyl;   4-Benzoyloxy-2,2,6,6-tetramethylpiperidinyloxyl;   4-Benzoyloxy-TEMPO;   4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl benzoate;   4-benzoyloxy-2,2,6,6-tetramethylpiperidine 1-oxyl;   4-hydroxy-TEMPO benzoate free radical;   Formula=C16H22NO3;   InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3;   InChIKey=MJEDTBDGYVATPI-UHFFFAOYSA-N;   SMILES=CC1(C)CC(CC(C)(C)N1[O])OC(=O)C1=CC=CC=C1
 xref: CAS:3225-26-1;   Chemspider:2123762;   PMID:16853976;   PMID:18611421;   PMID:22775798;   PMID:28890491;   PMID:33930266;   Reaxys:1431263



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  CHEBI ontology 19863
    role 19835
      chemical role 19465
        catalyst 8299
          4-hydroxy-TEMPO 87
            4-hydroxy-TEMPO benzoate 0
Path 2
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  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            heteroorganic entity 19498
                              organochalcogen compound 19259
                                organooxygen compound 19175
                                  carbon oxoacid 18642
                                    carboxylic acid 18639
                                      aromatic carboxylic acid 12696
                                        benzoic acids 12673
                                          benzoate ester 5734
                                            4-hydroxy-TEMPO benzoate 0
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