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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:hexyl butyrate
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Accession:CHEBI:87559 term browser browse the term
Definition:A fatty acid ester obtained by the formal condensation of hexanol with butyric acid.
Synonyms:related_synonym: Formula=C10H20O2;   Hexyl butanoate;   InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3;   InChIKey=XAPCMTMQBXLDBB-UHFFFAOYSA-N;   SMILES=CCCCCCOC(=O)CCC
 xref: CAS:2639-63-6;   HMDB:HMDB0033620;   LIPID_MAPS_instance:LMFA07010419;   PMID:24390623;   PMID:25973902;   Reaxys:1754469

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19763
      biological role 19763
        biochemical role 19380
          metabolite 19358
            eukaryotic metabolite 19046
              animal metabolite 18891
                hexyl butyrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic group 18730
                              organic divalent group 18721
                                organodiyl group 18721
                                  carbonyl group 18670
                                    carbonyl compound 18670
                                      carboxylic acid 18367
                                        monocarboxylic acid 17639
                                          fatty acid 16023
                                            short-chain fatty acid 15710
                                              fatty acid 4:0 7905
                                                butyric acid 6273
                                                  hexyl butyrate 0
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