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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:12,13-DiHOME(1-)
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Accession:CHEBI:84028 term browser browse the term
Definition:A monounsaturated fatty acid anion that is the conjugate base of 12,13-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (9Z)-12,13-dihydroxyoctadec-9-enoate
 related_synonym: (9Z)-12,13-dihydroxyoctadecenoate;   12,13-dihydroxy-(9Z)-octadecenoate;   Formula=C18H33O4;   InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/p-1/b11-8-;   InChIKey=CQSLTKIXAJTQGA-FLIBITNWSA-M;   SMILES=CCCCCC(O)C(O)C\\C=C/CCCCCCCC([O-])=O
 cyclic_relationship: is_conjugate_base_of CHEBI:72665


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              lipid 0
                fatty acid anion 0
                  long-chain fatty acid anion 0
                    12,13-DiHOME(1-) 0
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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 ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  monocarboxylic acid anion 0
                                    fatty acid anion 0
                                      unsaturated fatty acid anion 0
                                        monounsaturated fatty acid anion 0
                                          hydroxy monounsaturated fatty acid anion 0
                                            12,13-DiHOME(1-) 0
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