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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:pentyl octanoate
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Accession:CHEBI:165637 term browser browse the term
Definition:An octanoate ester obtained by the formal condensation of carboxy group of octanoic acid with pentan-1-ol.
Synonyms:related_synonym: FEMA 2079;   Formula=C13H26O2;   InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3;   InChIKey=GJWGZSBNFSBUPX-UHFFFAOYSA-N;   SMILES=CCCCCCCC(=O)OCCCCC;   amyl caprylate;   amyl octanoate;   amyl octoate;   amyl octylate;   n-amyl caprylate;   n-amyl n-octanoate;   n-caprylic acid n-amyl ester;   octanoic acid pentyl ester;   pentyl octylate
 xref: CAS:638-25-5;   Chemspider:55131;   FooDB:FDB015075;   HMDB:HMDB0036217;   LIPID_MAPS_instance:LMFA07010992;   PMID:22778629;   PMID:32764441;   PMID:35011538;   PMID:35310662;   PMID:925012


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      application 19668
        food additive 16128
          flavouring agent 4535
            pentyl octanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      monocarboxylic acid 18006
                                        fatty acid 16810
                                          fatty acid derivative 8970
                                            fatty alcohol 6111
                                              short-chain fatty alcohol 92
                                                pentanol 92
                                                  pentan-1-ol 92
                                                    pentyl octanoate 0
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