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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:1,3-diacetoxypropane
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Accession:CHEBI:87360 term browser browse the term
Definition:An acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid.
Synonyms:exact_synonym: propane-1,3-diyl diacetate
 related_synonym: Formula=C7H12O4;   InChI=1S/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3;   InChIKey=DSVGICPKBRQDDX-UHFFFAOYSA-N;   SMILES=CC(=O)OCCCOC(C)=O
 xref: CAS:628-66-0;   Reaxys:1705913


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26089
    role 26005
      biological role 25984
        biochemical role 25213
          metabolite 25143
            1,3-diacetoxypropane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26089
    subatomic particle 26064
      composite particle 26064
        hadron 26064
          baryon 26064
            nucleon 26064
              atomic nucleus 26064
                atom 26064
                  main group element atom 25891
                    p-block element atom 25891
                      chalcogen 24962
                        oxygen atom 24852
                          oxygen molecular entity 24852
                            hydroxides 24079
                              organic hydroxy compound 22116
                                polyol 11947
                                  diol 3904
                                    glycol 3666
                                      propanediol 1910
                                        propane-1,3-diols 0
                                          propane-1,3-diol 0
                                            1,3-diacetoxypropane 0
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