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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:2-oxododecanoate
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Accession:CHEBI:142579 term browser browse the term
Definition:An oxo fatty acid anion resulting from the deprotonation of the carboxy group of 2-oxododecanoic acid. The major species at pH 7.3.
Synonyms:related_synonym: 2-ketododecanoate;   2-oxolaurate;   Formula=C12H21O3;   InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3,(H,14,15)/p-1;   InChIKey=MIMUDKBBERJQHQ-UHFFFAOYSA-M;   SMILES=C(CCCCCCCC(C(=O)[O-])=O)CC;   alpha-keto-dodecanoate;   alpha-keto-laurate
 cyclic_relationship: is_conjugate_base_of CHEBI:142578;   is_tautomer_of CHEBI:141781


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      atom 19770
        nonmetal atom 19646
          carbon atom 19564
            organic molecular entity 19564
              lipid 17488
                fatty acid anion 103
                  oxo fatty acid anion 0
                    2-oxododecanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      chalcogen 19387
                        chalcogen molecular entity 19387
                          oxygen molecular entity 19350
                            oxide 11711
                              oxoanion 8882
                                carboxylic acid anion 2398
                                  monocarboxylic acid anion 1499
                                    fatty acid anion 103
                                      oxo fatty acid anion 0
                                        2-oxododecanoate 0
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