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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:3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
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Accession:CHEBI:145718 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of isobutyric acid with the 1-hydroxy group of 2,4,4-trimethylpentane-1,3-diol.
Synonyms:related_synonym: 2,4,4-trimethyl-1,3-pentanediol 1-isobutyrate;   2-methylpropanoic acid 3-hydroxy-2,4,4-trimethylpentyl ester;   Formula=C12H24O3;   InChI=1S/C12H24O3/c1-8(2)11(14)15-7-9(3)10(13)12(4,5)6/h8-10,13H,7H2,1-6H3;   InChIKey=WXFRFCWHHBELIH-UHFFFAOYSA-N;   SMILES=OC(C(C)(C)C)C(COC(=O)C(C)C)C
 xref: AGR:IND44260739;   CAS:74367-34-3;   PMID:24820062


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        biochemical role 19304
          volatile oil component 5988
            isobutyric acid 3065
              3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        monocarboxylic acid 17475
                                          fatty acid 15994
                                            short-chain fatty acid 15677
                                              fatty acid 4:0 7816
                                                isobutyric acid 3065
                                                  3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate 0
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