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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:isocaproic acid
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Accession:CHEBI:74903 term browser browse the term
Definition:A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol
Synonyms:related_synonym: 4,4-Dimethylbutanoic acid;   4-Methyl-N-valeric acid;   4-Methyl-Valeric acid;   4-Methyl-pentanoic acid;   4-Methylvaleric acid;   4-methylpentanoic acid;   Formula=C6H12O2;   InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8);   InChIKey=FGKJLKRYENPLQH-UHFFFAOYSA-N;   Isobutylacetic acid;   Isohexanoic acid;   Isohexoic acid;   SMILES=CC(C)CCC(O)=O
 alt_id: CHEBI:40106
 xref: CAS:646-07-1;   DrugBank:DB03993;   HMDB:HMDB0000689;   LIPID_MAPS_instance:LMFA01020076
 xref_mesh: MESH:C034527
 xref: PDBeChem:4MV;   PMID:14446007;   Reaxys:1741912
 cyclic_relationship: is_conjugate_acid_of CHEBI:74904

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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 0
                  medium-chain fatty acid 0
                    isocaproic acid 0
                      (2E)-2-(hydroxyimino)isohexanoic acid 0
                      4-methylpentanoyl-CoA 0
Path 2
Term Annotations click to browse term
  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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          saturated fatty acid 0
                                            branched-chain saturated fatty acid 0
                                              isocaproic acid 0
                                                (2E)-2-(hydroxyimino)isohexanoic acid 0
                                                4-methylpentanoyl-CoA 0
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