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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:14-HPDHE(1-)
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Accession:CHEBI:83336 term browser browse the term
Definition:A polyunsaturated fatty acid anion that is the conjugate base of 14-HPDHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosa-4,7,10,12,16,19-hexaenoate
 related_synonym: (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosahexaenoate(1-);   14-HPD(4,7,10,12,16,19)HE(1-);   14-hydroperoxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate;   Formula=C22H31O4;   InChI=1S/C22H32O4/c1-2-3-4-5-12-15-18-21(26-25)19-16-13-10-8-6-7-9-11-14-17-20-22(23)24/h3-4,6-7,10-16,19,21,25H,2,5,8-9,17-18,20H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+;   InChIKey=OAGAUECBCOAGOL-BGKMTWLOSA-M;   SMILES=CC\\C=C/C\\C=C/CC(OO)\\C=C\\C=C/C\\C=C/C\\C=C/CCC([O-])=O
 cyclic_relationship: is_conjugate_base_of CHEBI:84177


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          anion 0
            organic anion 0
              carboxylic acid anion 0
                docosanoid anion 0
                  HPDHE(1-) 0
                    14-HPDHE(1-) 0
                      14(S)-HPDHE(1-) 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        monocarboxylic acid 0
                                          fatty acid 0
                                            fatty acid derivative 0
                                              (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative 0
                                                (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate 0
                                                  14-HPDHE(1-) 0
                                                    14(S)-HPDHE(1-) 0
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