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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:(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate
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Accession:CHEBI:133795 term browser browse the term
Definition:A hydroperoxydocosahexaenoate that is the conjugate base of (17S)-HPDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate
 related_synonym: (17S)-HPDHA(1-);   (17S)-HPDoHE(1-);   (17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate;   (4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoate;   Formula=C22H31O4;   InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1;   InChIKey=BNHQALRBDJVUQB-YTQNUIGOSA-M;   SMILES=[O-]C(CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C=C\\[C@H](C/C=C\\CC)OO)=O
 xref: MetaCyc:CPD66-80;   PMID:19324874
 cyclic_relationship: is_conjugate_base_of CHEBI:136113


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      atom 5043
        nonmetal atom 5006
          carbon atom 4954
            organic molecular entity 4926
              lipid 4408
                fatty acid derivative 91
                  (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative 0
                    (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate 0
                      (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      monocarboxylic acid 206
                                        fatty acid 131
                                          fatty acid derivative 91
                                            (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative 0
                                              (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate 0
                                                (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate 0
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