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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-dibutyrin
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Accession:CHEBI:76540 term browser browse the term
Definition:A dibutyrin resulting from the condensation of both of the primary hydroxy groups of glycerol with butyric acid.
Synonyms:exact_synonym: 2-hydroxypropane-1,3-diyl dibutanoate
 related_synonym: 1,3-dibutanoylglycerol;   1,3-dibutanoyloxy-2-propanol;   2-hydroxypropane-1,3-diyl dibutyrate;   3-butyryloxy-2-hydroxypropyl butyrate;   Formula=C11H20O5;   InChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3;   InChIKey=KBWFWZJNPVZRRG-UHFFFAOYSA-N;   SMILES=CCCC(=O)OCC(O)COC(=O)CCC;   alpha-dibutyryn
 xref: CAS:17364-00-0;   Reaxys:1788209

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          heteroatomic molecular entity 0
            hydroxides 0
              organic hydroxy compound 0
                alcohol 0
                  secondary alcohol 0
                    1,3-dibutyrin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          short-chain fatty acid 0
                                            fatty acid 4:0 0
                                              butyric acid 0
                                                butyrate ester 0
                                                  dibutyrin 0
                                                    1,3-dibutyrin 0
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