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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(R)-HPODE(1-)
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Accession:CHEBI:133985 term browser browse the term
Definition:A 13-HPODE(1-) that is the conjugate base of 13(R)-HPODE, obtained by deprotonation of the carboxylic acid function. Major microspecies at pH 7.3.
Synonyms:exact_synonym: (9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoate
 related_synonym: (13R)-hydroperoxy-(9Z,11E)-octadecadienoate;   (9Z,11E,13R)-13-hydroperoxyoctadecadienoate;   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+/t17-/m1/s1;   InChIKey=JDSRHVWSAMTSSN-PIHGWCCBSA-M;   SMILES=C(CCCCCCC\\C=C/C=C/[C@@H](CCCCC)OO)(=O)[O-]
 cyclic_relationship: is_conjugate_base_of CHEBI:39573;   is_enantiomer_of CHEBI:57466


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        biochemical role 19529
          metabolite 19515
            xenobiotic metabolite 15460
              human xenobiotic metabolite 14829
                13-HPODE(1-) 0
                  13(R)-HPODE(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            organic ion 9866
                              organic anion 3616
                                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
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