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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)octadecatrienoic acid
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Accession:CHEBI:133990 term browser browse the term
Definition:A hydroperoxy fatty acid that is (10E,12Z,14E)-octadecatrienoic acid carrying two hydroperoxy substituents at positions 9 and 16 (the 9S,16S-diastereomer).
Synonyms:exact_synonym: (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadeca-10,12,14-trienoic acid
 related_synonym: (10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoic acid;   (9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoic acid;   9S,16S-DiHPOTrE;   Formula=C18H30O6;   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)/b7-6-,12-8+,14-10+/t16-,17-/m0/s1;   InChIKey=MFVHQYMRUDEPIO-NYOLHIHQSA-N;   SMILES=C(CCCCCCC[C@@H](/C=C/C=C\\C=C\\[C@H](CC)OO)OO)(O)=O
 cyclic_relationship: is_conjugate_acid_of CHEBI:133991


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    chemical entity 19791
      atom 19788
        nonmetal atom 19662
          carbon atom 19560
            organic molecular entity 19560
              lipid 16992
                fatty acid 15860
                  long-chain fatty acid 1717
                    (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18508
                              organic divalent group 18501
                                organodiyl group 18501
                                  carbonyl group 18404
                                    carbonyl compound 18404
                                      carboxylic acid 18079
                                        monocarboxylic acid 17425
                                          fatty acid 15860
                                            unsaturated fatty acid 916
                                              polyunsaturated fatty acid 663
                                                trienoic fatty acid 105
                                                  (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid 0
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