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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 19808
        role 19784
          biological role 19782
            biochemical role 19496
              volatile oil component 7613
                isobutyric acid 3104
                  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 + 3102
                  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 19808
        subatomic particle 19806
          composite particle 19806
            hadron 19806
              baryon 19806
                nucleon 19806
                  atomic nucleus 19806
                    atom 19806
                      main group element atom 19756
                        p-block element atom 19756
                          carbon group element atom 19705
                            carbon atom 19702
                              organic molecular entity 19702
                                heteroorganic entity 19460
                                  organochalcogen compound 19224
                                    organooxygen compound 19141
                                      carbon oxoacid 18612
                                        carboxylic acid 18609
                                          monocarboxylic acid 17984
                                            fatty acid 16792
                                              short-chain fatty acid 15909
                                                fatty acid 4:0 8219
                                                  isobutyric acid 3104
                                                    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 + 3102
                                                    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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