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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21562
    chemical entity 21560
      atom 21548
        nonmetal atom 21430
          carbon atom 21145
            organic molecular entity 21145
              lipid 17898
                fatty acid anion 105
                  long-chain fatty acid anion 9
                    8-oxoresolvin D1(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21562
    subatomic particle 21548
      composite particle 21548
        hadron 21548
          baryon 21548
            nucleon 21548
              atomic nucleus 21548
                atom 21548
                  main group element atom 21454
                    p-block element atom 21454
                      carbon group element atom 21247
                        carbon atom 21145
                          organic molecular entity 21145
                            organic ion 8615
                              organic anion 3091
                                carboxylic acid anion 2435
                                  monocarboxylic acid anion 1508
                                    fatty acid anion 105
                                      unsaturated fatty acid anion 1
                                        polyunsaturated fatty acid anion 1
                                          8-oxoresolvin D1(1-) 0
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