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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 19918
        role 19894
          biological role 19892
            biochemical role 19588
              volatile oil component 7089
                isobutyric acid 3105
                  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 + 3103
                  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 19918
        subatomic particle 19916
          composite particle 19916
            hadron 19916
              baryon 19916
                nucleon 19916
                  atomic nucleus 19916
                    atom 19916
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19811
                            carbon atom 19806
                              organic molecular entity 19806
                                organic group 18995
                                  organic divalent group 18969
                                    organodiyl group 18969
                                      carbonyl group 18922
                                        carbonyl compound 18922
                                          carboxylic acid 18646
                                            monocarboxylic acid 17984
                                              fatty acid 16709
                                                short-chain fatty acid 15941
                                                  fatty acid 4:0 8227
                                                    isobutyric acid 3105
                                                      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 + 3103
                                                      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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