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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:13-HPODE(1-)
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Accession:CHEBI:90823 term browser browse the term
Definition:A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Synonyms:exact_synonym: (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate
 related_synonym: 13-hydroperoxy-(9Z,11E)-octadecadienoate;   Formula=C18H31O4;   InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+;   InChIKey=JDSRHVWSAMTSSN-BSZOFBHHSA-M;   SMILES=C(CCCCCCC/C=C\\C=C\\C(CCCCC)OO)(=O)[O-]
 xref: PMID:10542053
 cyclic_relationship: is_conjugate_base_of CHEBI:91272


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      biological role 19808
        biochemical role 19521
          metabolite 19508
            xenobiotic metabolite 15461
              human xenobiotic metabolite 14832
                13-HPODE(1-) 0
                  13(R)-HPODE(1-) 0
                  13(S)-HPODE(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19731
                        carbon atom 19727
                          organic molecular entity 19727
                            organic ion 9871
                              organic anion 3614
                                carboxylic acid anion 2480
                                  monocarboxylic acid anion 1591
                                    fatty acid anion 130
                                      unsaturated fatty acid anion 1
                                        polyunsaturated fatty acid anion 1
                                          hydroperoxy polyunsaturated fatty acid anion 1
                                            HPODE(1-) 0
                                              13-HPODE(1-) 0
                                                13(R)-HPODE(1-) 0
                                                13(S)-HPODE(1-) 0
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