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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:isoamyl acetate
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Accession:CHEBI:31725 term browser browse the term
Definition:The acetate ester of isoamylol.
Synonyms:related_synonym: 3-methyl-1-butanol acetate;   3-methyl-1-butyl acetate;   3-methyl-but-1-yl acetate;   3-methylbutyl acetate;   3-methylbutyl ethanoate;   CH3C(O)O(CH2)2CH(CH3)2;   Formula=C7H14O2;   InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3;   InChIKey=MLFHJEHSLIIPHL-UHFFFAOYSA-N;   Isoamylacetat;   Isoamylazetat;   SMILES=CC(C)CCOC(C)=O;   acetate d'isoamyle;   acetate d'isopentyle;   acetate de 3-methylbutyle;   acetic acid, 3-methylbutyl ester;   acetic acid, isopentyl ester;   amylacetic ester;   beta-methyl butyl acetate;   i-amyl acetate;   isoamyl ethanoate;   isopentyl acetate;   isopentyl ethanoate
 xref: Beilstein:1744750;   CAS:123-92-2;   Gmelin:101452;   KEGG:C12296;   PMID:15491859;   PMID:25626919;   Reaxys:1744750


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        biochemical role 19529
          metabolite 19515
            isoamyl acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      monocarboxylic acid 18008
                                        acetic acid 11055
                                          acetate ester 4056
                                            isoamyl acetate 0
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