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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 19900
        role 19875
          biological role 19873
            biochemical role 19567
              volatile oil component 7059
                isobutyric acid 3103
                  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 6
                  ananolignan H 0
                  clofibric acid + 3101
                  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 19900
        subatomic particle 19898
          composite particle 19898
            hadron 19898
              baryon 19898
                nucleon 19898
                  atomic nucleus 19898
                    atom 19898
                      main group element atom 19845
                        p-block element atom 19845
                          carbon group element atom 19792
                            carbon atom 19787
                              organic molecular entity 19787
                                organic group 18957
                                  organic divalent group 18938
                                    organodiyl group 18938
                                      carbonyl group 18890
                                        carbonyl compound 18890
                                          carboxylic acid 18611
                                            monocarboxylic acid 17936
                                              fatty acid 16596
                                                short-chain fatty acid 15929
                                                  fatty acid 4:0 8220
                                                    isobutyric acid 3103
                                                      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 6
                                                      ananolignan H 0
                                                      clofibric acid + 3101
                                                      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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