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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 5:121,409,735...121,593,201
Ensembl chr 5:116,289,823...116,475,908 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19887
    chemical entity 19885
      atom 19885
        nonmetal atom 19809
          carbon atom 19760
            organic molecular entity 19760
              lipid 18005
                fatty acid 16849
                  medium-chain fatty acid 6020
                    isocaproic acid 1
                      (2E)-2-(hydroxyimino)isohexanoic acid 0
                      4-methylpentanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    p-block element atom 19824
                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organooxygen compound 19197
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      monocarboxylic acid 18012
                                        fatty acid 16849
                                          saturated fatty acid 16565
                                            branched-chain saturated fatty acid 15166
                                              isocaproic acid 1
                                                (2E)-2-(hydroxyimino)isohexanoic acid 0
                                                4-methylpentanoyl-CoA 0
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