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ONTOLOGY REPORT - ANNOTATIONS


Term:butyl hexadecanoate
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Accession:CHEBI:132549 term browser browse the term
Definition:A hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol.
Synonyms:related_synonym: Butyl palmitate;   Formula=C20H40O2;   Hexadecanoic acid, butyl ester;   InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3;   InChIKey=GLYJVQDYLFAUFC-UHFFFAOYSA-N;   Palmitic acid, butyl ester;   SMILES=C(CCCCCCCCCC)CCCCC(OCCCC)=O;   n-Butyl hexadecanoate;   n-Butyl palmitate
 xref: AGR:IND44097212 "Europe PMC";   CAS:111-06-8 "ChemIDplus";   CAS:111-06-8 "NIST Chemistry WebBook";   Chemspider:7799;   PMID:26864785 "Europe PMC";   Patent:US5109022;   Reaxys:1788162 "Reaxys"


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  CHEBI ontology 19716
    role 19663
      application 19308
        pesticide 16145
          insecticide 13298
            insect repellent 221
              butyl hexadecanoate 0
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      carboxylic acid 17940
                                        monocarboxylic acid 17260
                                          fatty acid 15814
                                            saturated fatty acid 15781
                                              straight-chain saturated fatty acid 15178
                                                hexadecanoic acid 500
                                                  hexadecanoate ester 11
                                                    butyl hexadecanoate 0
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