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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 5:116,294,409...116,477,904
Ensembl chr 5:116,289,823...116,475,908
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      atom 19811
        nonmetal atom 19698
          carbon atom 19620
            organic molecular entity 19620
              lipid 17489
                fatty acid 16012
                  medium-chain fatty acid 3547
                    isocaproic acid 1
                      (2E)-2-(hydroxyimino)isohexanoic acid 0
                      4-methylpentanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        monocarboxylic acid 17632
                                          fatty acid 16012
                                            saturated fatty acid 15986
                                              branched-chain saturated fatty acid 14986
                                                isocaproic acid 1
                                                  (2E)-2-(hydroxyimino)isohexanoic acid 0
                                                  4-methylpentanoyl-CoA 0
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