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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:8-oxoresolvin D1(1-)
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Accession:CHEBI:132080 term browser browse the term
Definition:A polyunsaturated fatty acid anion that is the conjugate base of 8-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,17-dihydroxy-8-oxodocosa-4,9,11,13,15,19-hexaenoate
 related_synonym: 8-oxo-RvD1(1-);   8-oxoresolvin D1;   Formula=C22H29O5;   InChI=1S/C22H30O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19,21,23,25H,2,13-14,17-18H2,1H3,(H,26,27)/p-1/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,21-/m0/s1;   InChIKey=LUPPRXHPUZNWES-BZRROHBCSA-M;   SMILES=C(\\CCC([O-])=O)=C\\C[C@@H](C(/C=C/C=C/C=C\\C=C\\[C@H](C/C=C\\CC)O)=O)O
 xref: PMID:17244615
 cyclic_relationship: is_conjugate_base_of CHEBI:132797


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      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              lipid 0
                fatty acid anion 0
                  long-chain fatty acid anion 0
                    8-oxoresolvin D1(1-) 0
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                  main group element atom 0
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                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  monocarboxylic acid anion 0
                                    fatty acid anion 0
                                      unsaturated fatty acid anion 0
                                        polyunsaturated fatty acid anion 0
                                          8-oxoresolvin D1(1-) 0
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