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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(S)-HPODE(1-)
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Accession:CHEBI:57466 term browser browse the term
Definition:Conjugate base of 13(S)-HPODE arising from deprotonation of the carboxylic acid function.
Synonyms:related_synonym: (13S)-hydroperoxy-(9Z,11E)-octadecadienoate;   (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate;   13(S)-HPODE anion;   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-/m0/s1;   InChIKey=JDSRHVWSAMTSSN-IRQZEAMPSA-M;   SMILES=CCCCC[C@H](OO)\\C=C\\C=C/CCCCCCCC([O-])=O
 xref: Beilstein:10594821
 cyclic_relationship: is_conjugate_base_of CHEBI:15655;   is_enantiomer_of CHEBI:133985


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      biological role 25936
        biochemical role 25170
          metabolite 25100
            xenobiotic metabolite 16953
              human xenobiotic metabolite 16132
                13-HPODE(1-) 0
                  13(S)-HPODE(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic ion 10240
                              organic anion 3768
                                carboxylic acid anion 2557
                                  monocarboxylic acid anion 1661
                                    fatty acid anion 126
                                      unsaturated fatty acid anion 0
                                        polyunsaturated fatty acid anion 0
                                          hydroperoxy polyunsaturated fatty acid anion 0
                                            HPODE(1-) 0
                                              13-HPODE(1-) 0
                                                13(S)-HPODE(1-) 0
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