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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:14-oxo-DoHE(1-)
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Accession:CHEBI:90867 term browser browse the term
Definition:A polyunsaturated hydroxy-fatty acid anion that is the conjugate base of 14-oxo-DoHE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Synonyms:exact_synonym: (4Z,7Z,10Z,12E,16Z,19Z)-14-oxodocosa-4,7,10,12,16,19-hexaenoate
 related_synonym: 14-oxo-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate;   Formula=C22H29O3;   InChI=1S/C22H30O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+;   InChIKey=CTOFGDVNVOUNPL-BGKMTWLOSA-M;   SMILES=C(C([O-])=O)C/C=C\\C/C=C\\C/C=C\\C=C\\C(C/C=C\\C/C=C\\CC)=O
 xref: PMID:25586183
 cyclic_relationship: is_conjugate_base_of CHEBI:91293


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            xenobiotic metabolite 0
              human xenobiotic metabolite 0
                14-oxo-DoHE(1-) 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  monocarboxylic acid anion 0
                                    fatty acid anion 0
                                      long-chain fatty acid anion 0
                                        docosanoid anion 0
                                          oxodocosahexaenoate 0
                                            14-oxo-DoHE(1-) 0
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