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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:3-methyl-2-oxobutanoate
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Accession:CHEBI:11851 term browser browse the term
Definition:A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
Synonyms:related_synonym: 2-Oxo-3-methylbutanoate;   2-Oxoisopentanoate;   2-Oxoisovalerate;   3-methyl-2-oxobutyrate;   Formula=C5H7O3;   InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1;   InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M;   SMILES=CC(C)C(=O)C([O-])=O;   alpha-keto-isovalerate
 xref: KEGG:C00141;   MetaCyc:2-KETO-ISOVALERATE;   PMID:9748245;   Reaxys:3661467
 cyclic_relationship: is_conjugate_base_of CHEBI:16530


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      biological role 22162
        biochemical role 21431
          metabolite 21379
            butyrate 101
              3-methyl-2-oxobutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            organic ion 10063
                              organic anion 3680
                                carboxylic acid anion 2524
                                  monocarboxylic acid anion 1606
                                    fatty acid anion 129
                                      short-chain fatty acid anion 123
                                        fatty acid anion 4:0 101
                                          butyrate 101
                                            3-methyl-2-oxobutanoate 0
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