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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 19860
        role 19832
          biological role 19830
            biochemical role 19538
              volatile oil component 7796
                isobutyric acid 3106
                  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 + 3104
                  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 19860
        subatomic particle 19858
          composite particle 19858
            hadron 19858
              baryon 19858
                nucleon 19858
                  atomic nucleus 19858
                    atom 19858
                      main group element atom 19804
                        p-block element atom 19804
                          carbon group element atom 19745
                            carbon atom 19741
                              organic molecular entity 19741
                                heteroorganic entity 19494
                                  organochalcogen compound 19257
                                    organooxygen compound 19173
                                      carbon oxoacid 18641
                                        carboxylic acid 18638
                                          monocarboxylic acid 18012
                                            fatty acid 16843
                                              short-chain fatty acid 15935
                                                fatty acid 4:0 8227
                                                  isobutyric acid 3106
                                                    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 + 3104
                                                    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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