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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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isocaproic acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Lepr leptin receptor affects abundance ISO LEPR affects the abundance of isocaproic acid CTD PMID:20567778 NCBI chr 5:120,503,475...120,682,281
Ensembl chr 5:120,564,645...120,682,221
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      atom 19784
        nonmetal atom 19659
          carbon atom 19563
            organic molecular entity 19563
              lipid 16977
                fatty acid 15845
                  medium-chain fatty acid 3463
                    isocaproic acid 1
                      (2E)-2-(hydroxyimino)isohexanoic acid 0
                      4-methylpentanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        monocarboxylic acid 17407
                                          fatty acid 15845
                                            saturated fatty acid 15812
                                              branched-chain saturated fatty acid 14734
                                                isocaproic acid 1
                                                  (2E)-2-(hydroxyimino)isohexanoic acid 0
                                                  4-methylpentanoyl-CoA 0
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