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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:12-HPEPE(1-)
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Accession:CHEBI:78078 term browser browse the term
Definition:A polyunsaturated fatty acid anion that is the conjugate base of 12-HPEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoate
 related_synonym: (5Z,7Z,8Z,10E,14Z,17Z)-12-hydroperoxyeicosapentaenoate;   (5Z,8Z,10E,14Z,17Z)-12-hydroperoxyicosapentaenoate;   Formula=C20H29O4;   InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b4-3-,9-7-,11-8-,13-10-,17-14+;   InChIKey=HDMYXONNVAOHFR-QGQBRVLBSA-M;   SMILES=CC\\C=C/C\\C=C/CC(OO)\\C=C\\C=C/C\\C=C/CCCC([O-])=O
 cyclic_relationship: is_conjugate_base_of CHEBI:78909


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  CHEBI ontology 19883
    role 19833
      application 19505
        pharmaceutical 19375
          drug 19375
            hematologic agent 4388
              platelet aggregation inhibitor 3359
                12-HPEPE(1-) 0
                  12(S)-HpEPE(1-) 0
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  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic ion 8454
                              organic anion 3033
                                carboxylic acid anion 2393
                                  monocarboxylic acid anion 1492
                                    fatty acid anion 101
                                      unsaturated fatty acid anion 1
                                        polyunsaturated fatty acid anion 1
                                          hydroperoxy polyunsaturated fatty acid anion 0
                                            hydroperoxyicosapentaenoate 0
                                              12-HPEPE(1-) 0
                                                12(S)-HpEPE(1-) 0
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