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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 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            3-methylbutyl octanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      monocarboxylic acid 17952
                                        fatty acid 16689
                                          saturated fatty acid 16375
                                            straight-chain saturated fatty acid 15875
                                              octanoic acid 3301
                                                3-methylbutyl octanoate 0
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