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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(R),15(S)-DiHETE(1-)
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Accession:CHEBI:133916 term browser browse the term
Definition:A DiHETE(1-) that is the conjugate base of 14(R),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Synonyms:exact_synonym: (5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosa-5,8,10,12-tetraenoate
 related_synonym: (14R,15S)-DiHETE;   (14R,15S)-dihydroxy-(5Z,8Z,10E,12E)-eicosatetraenoate;   (14R,15S)-dihydroxy-(5Z,8Z,10E,12E)-icosatetraenoate;   (5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyeicosatetraenoate;   (5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosatetraenoate;   Formula=C20H31O4;   InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-10,13,16,18-19,21-22H,2-3,5,11-12,14-15,17H2,1H3,(H,23,24)/p-1/b6-4-,9-7-,10-8+,16-13+/t18-,19+/m0/s1;   InChIKey=RFCYXKNVYQOCTM-PEPUZGFWSA-M;   SMILES=[O-]C(CCC/C=C\\C/C=C\\C=C\\C=C\\[C@H]([C@H](CCCCC)O)O)=O
 xref: PMID:8334154
 cyclic_relationship: is_conjugate_base_of CHEBI:136500


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  CHEBI ontology 19883
    chemical entity 19883
      molecular entity 19880
        ion 15970
          anion 14981
            organic anion 3033
              carboxylic acid anion 2393
                icosanoid anion 1
                  dihydroxyicosatetraenoate 0
                    14(R),15(S)-DiHETE(1-) 0
Path 2
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  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic ion 8454
                              organic anion 3033
                                carboxylic acid anion 2393
                                  monocarboxylic acid anion 1492
                                    fatty acid anion 101
                                      unsaturated fatty acid anion 1
                                        polyunsaturated fatty acid anion 1
                                          hydroxy polyunsaturated fatty acid anion 0
                                            dihydroxyicosatetraenoate 0
                                              14(R),15(S)-DiHETE(1-) 0
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