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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:(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate
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Accession:CHEBI:133991 term browser browse the term
Definition:An octadecanoid anion that is the conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3.
Synonyms:exact_synonym: (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadeca-10,12,14-trienoate
 related_synonym: (10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoate;   (9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoate;   9S,16S-DiHPOTrE (1-);   Formula=C18H29O6;   InChI=1S/C18H30O6/c1-2-16(23-21)12-8-6-7-10-14-17(24-22)13-9-4-3-5-11-15-18(19)20/h6-8,10,12,14,16-17,21-22H,2-5,9,11,13,15H2,1H3,(H,19,20)/p-1/b7-6-,12-8+,14-10+/t16-,17-/m0/s1;   InChIKey=MFVHQYMRUDEPIO-NYOLHIHQSA-M;   SMILES=C(CCCCCCC[C@@H](/C=C/C=C\\C=C\\[C@H](CC)OO)OO)([O-])=O
 xref: PMID:26264916
 cyclic_relationship: is_conjugate_base_of CHEBI:133990

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    chemical entity 19875
      atom 19873
        nonmetal atom 19751
          carbon atom 19657
            organic molecular entity 19657
              lipid 17235
                fatty acid anion 101
                  long-chain fatty acid anion 10
                    (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic ion 8459
                              organic anion 3033
                                carboxylic acid anion 2394
                                  monocarboxylic acid anion 1492
                                    fatty acid anion 101
                                      unsaturated fatty acid anion 1
                                        octadecanoid anion 0
                                          (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate 0
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