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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:isobutyric acid
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Accession:CHEBI:16135 term browser browse the term
Definition:A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.
Synonyms:related_synonym: 2,2-dimethylacetic acid;   2-METHYL-PROPIONIC ACID;   2-Methylpropanoate;   2-Methylpropanoic acid;   2-Methylpropionsaeure;   Dimethylacetic acid;   Formula=C4H8O2;   InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6);   InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-N;   Isobutanoate;   Isobuttersaeure;   Isobutyrate;   SMILES=CC(C)C(O)=O;   alpha-isobutyric acid;   alpha-methylpropanoic acid;   alpha-methylpropionic acid;   iso-C3H7COOH;   iso-butyric acid;   isobutanoic acid;   isopropylformic acid
 alt_id: CHEBI:1212;   CHEBI:19710;   CHEBI:25337;   CHEBI:40653;   CHEBI:43397
 xref: BPDB:3128;   Beilstein:635770;   CAS:79-31-2;   DrugBank:DB02531;   Gmelin:49630;   HMDB:HMDB0001873;   KEGG:C02632;   KNApSAcK:C00029462;   LIPID_MAPS_instance:LMFA01020071
 xref_mesh: MESH:C020380
 xref: MetaCyc:ISOBUTYRATE;   PDBeChem:ALQ;   PMID:10757489;   PMID:17580301;   PMID:17877388;   PPDB:3128;   Reaxys:635770;   UM-BBD_compID:c0383;   Wikipedia:Isobutyric_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:48944


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19821
        role 19769
          biological role 19769
            biochemical role 19389
              volatile oil component 6578
                isobutyric acid 3099
                  1,2-diacetyltrichagmalin C 0
                  15-acetyltrichagmalin C 0
                  2-aminoisobutyric acid + 0
                  2-hydroxyisobutyric acid + 1
                  3-aminoisobutyric acid + 0
                  3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate 0
                  O-isobutyrylcarnitine + 0
                  alpha-(methylamino)isobutyric acid 5
                  ananolignan H 0
                  clofibric acid + 3098
                  egonol-2-methylpropanoate 0
                  ethyl isobutyrate 0
                  fexofenadine 0
                  isoamyl isobutyrate 0
                  isobutyric acid anhydride 0
                  isobutyryl-CoA + 1
                  methyl beta-(acetylthio)isobutyrate 0
                  methyl isobutyrate 0
                  pescaprein XXV 0
                  pescaprein XXVI 0
                  phenethyl isobutyrate 0
                  trichagmalin C + 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19821
        subatomic particle 19819
          composite particle 19819
            hadron 19819
              baryon 19819
                nucleon 19819
                  atomic nucleus 19819
                    atom 19819
                      main group element atom 19716
                        p-block element atom 19716
                          carbon group element atom 19640
                            carbon atom 19630
                              organic molecular entity 19630
                                organic group 18737
                                  organic divalent group 18728
                                    organodiyl group 18728
                                      carbonyl group 18675
                                        carbonyl compound 18675
                                          carboxylic acid 18373
                                            monocarboxylic acid 17636
                                              fatty acid 16008
                                                short-chain fatty acid 15696
                                                  fatty acid 4:0 7891
                                                    isobutyric acid 3099
                                                      1,2-diacetyltrichagmalin C 0
                                                      15-acetyltrichagmalin C 0
                                                      2-aminoisobutyric acid + 0
                                                      2-hydroxyisobutyric acid + 1
                                                      3-aminoisobutyric acid + 0
                                                      3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate 0
                                                      O-isobutyrylcarnitine + 0
                                                      alpha-(methylamino)isobutyric acid 5
                                                      ananolignan H 0
                                                      clofibric acid + 3098
                                                      egonol-2-methylpropanoate 0
                                                      ethyl isobutyrate 0
                                                      fexofenadine 0
                                                      isoamyl isobutyrate 0
                                                      isobutyric acid anhydride 0
                                                      isobutyryl-CoA + 1
                                                      methyl beta-(acetylthio)isobutyrate 0
                                                      methyl isobutyrate 0
                                                      pescaprein XXV 0
                                                      pescaprein XXVI 0
                                                      phenethyl isobutyrate 0
                                                      trichagmalin C + 0
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