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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 494
    role 501
      biological role 494
        biochemical role 454
          metabolite 445
            xenobiotic metabolite 75
              human xenobiotic metabolite 38
                13-HPODE(1-) 0
                  13(R)-HPODE(1-) 0
                  13(S)-HPODE(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic ion 19
                              organic anion 8
                                carboxylic acid anion 6
                                  monocarboxylic acid anion 3
                                    fatty acid anion 0
                                      unsaturated fatty acid anion 0
                                        polyunsaturated fatty acid anion 0
                                          hydroperoxy polyunsaturated fatty acid anion 0
                                            HPODE(1-) 0
                                              13-HPODE(1-) 0
                                                13(R)-HPODE(1-) 0
                                                13(S)-HPODE(1-) 0
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