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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24386
    chemical entity 24354
      atom 24343
        nonmetal atom 24048
          carbon atom 23933
            organic molecular entity 23933
              lipid 19822
                fatty acid anion 101
                  long-chain fatty acid anion 9
                    12,13-DiHOME(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24386
    subatomic particle 24343
      composite particle 24343
        hadron 24343
          baryon 24343
            nucleon 24343
              atomic nucleus 24343
                atom 24343
                  main group element atom 24190
                    p-block element atom 24190
                      carbon group element atom 23972
                        carbon atom 23933
                          organic molecular entity 23933
                            organic ion 8774
                              organic anion 3175
                                carboxylic acid anion 2468
                                  monocarboxylic acid anion 1564
                                    fatty acid anion 101
                                      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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