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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 885
    chemical entity 885
      atom 870
        nonmetal atom 850
          carbon atom 832
            organic molecular entity 832
              lipid 238
                fatty acid anion 1
                  long-chain fatty acid anion 0
                    12,13-DiHOME(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 885
    subatomic particle 870
      composite particle 870
        hadron 870
          baryon 870
            nucleon 870
              atomic nucleus 870
                atom 870
                  main group element atom 860
                    p-block element atom 857
                      carbon group element atom 833
                        carbon atom 832
                          organic molecular entity 832
                            organic ion 56
                              organic anion 20
                                carboxylic acid anion 18
                                  monocarboxylic acid anion 8
                                    fatty acid anion 1
                                      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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