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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(S)-HETE(1-)
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Accession:CHEBI:90680 term browser browse the term
Definition:An icosanoid anion that is the conjugate base of 12(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate
 related_synonym: (12S)-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoate;   Formula=C20H31O3;   InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1;   InChIKey=ZNHVWPKMFKADKW-LQWMCKPYSA-M;   SMILES=C(=C\\[C@H](C/C=C\\CCCCC)O)/C=C\\C/C=C\\CCCC(=O)[O-]
 cyclic_relationship: is_conjugate_base_of CHEBI:34146


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Term Annotations click to browse term
  CHEBI ontology 22205
    chemical entity 22204
      molecular entity 22196
        ion 17704
          anion 16963
            organic anion 3691
              carboxylic acid anion 2535
                icosanoid anion 1
                  12(S)-HETE(1-) 0
                    (5S)-hydroperoxy-(12S)-hydroxy-(6E,8Z,10E,14Z)-icosatetraenoate(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22205
    subatomic particle 22197
      composite particle 22197
        hadron 22197
          baryon 22197
            nucleon 22169
              atomic nucleus 22197
                atom 22197
                  main group element atom 22131
                    p-block element atom 22131
                      carbon group element atom 21928
                        carbon atom 21854
                          organic molecular entity 21854
                            organic ion 10112
                              organic anion 3691
                                carboxylic acid anion 2535
                                  monocarboxylic acid anion 1616
                                    fatty acid anion 143
                                      unsaturated fatty acid anion 1
                                        polyunsaturated fatty acid anion 1
                                          hydroxy polyunsaturated fatty acid anion 0
                                            HETE anion 0
                                              12(S)-HETE(1-) 0
                                                (5S)-hydroperoxy-(12S)-hydroxy-(6E,8Z,10E,14Z)-icosatetraenoate(1-) 0
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