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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 octanoate
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Accession:CHEBI:87536 term browser browse the term
Definition:A fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid.
Synonyms:related_synonym: Formula=C13H26O2;   InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3;   InChIKey=XKWSWANXMRXDES-UHFFFAOYSA-N;   SMILES=CCCCCCCC(=O)OCCC(C)C;   isoamyl caprylate;   isoamyl octanoate;   isopentyl octanoate;   octanoic acid isopentyl ester
 xref: CAS:2035-99-6;   HMDB:HMDB0038729;   PMID:25307564;   Reaxys:1767760


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Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      biological role 19818
        biochemical role 19525
          metabolite 19512
            3-methylbutyl octanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      monocarboxylic acid 18004
                                        fatty acid 16812
                                          saturated fatty acid 16534
                                            straight-chain saturated fatty acid 16057
                                              octanoic acid 4871
                                                3-methylbutyl octanoate 0
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