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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-methylbutyl hexanoate
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Accession:CHEBI:87542 term browser browse the term
Definition:A fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol).
Synonyms:related_synonym: 3-methylbutyl caproate;   Formula=C11H22O2;   InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3;   InChIKey=XVSZRAWFCDHCBP-UHFFFAOYSA-N;   SMILES=CCCCCC(=O)OCCC(C)C;   isoamyl caproate;   isoamyl hexanoate;   isopentyl caproate;   isopentyl hexanoate
 xref: CAS:2198-61-0;   HMDB:HMDB0033618;   PMID:24333641;   Patent:CN101513250;   Reaxys:1760611


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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      application 19707
        fragrance 1367
          3-methylbutyl hexanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            heteroorganic entity 19525
                              organochalcogen compound 19286
                                organooxygen compound 19202
                                  carbon oxoacid 18668
                                    carboxylic acid 18665
                                      monocarboxylic acid 18016
                                        fatty acid 16852
                                          saturated fatty acid 16567
                                            straight-chain saturated fatty acid 16102
                                              hexanoic acid 122
                                                hexanoate ester 2
                                                  3-methylbutyl hexanoate 0
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