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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:2,5-hexanedione
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Accession:CHEBI:85014 term browser browse the term
Definition:A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone
Synonyms:related_synonym: 1,2-Diacetylethane;   2,5-Diketohexane;   2,5-Hexadione;   Acetonyl acetone;   CH3COCH2CH2COCH3;   Formula=C6H10O2;   InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3;   InChIKey=OJVAMHKKJGICOG-UHFFFAOYSA-N;   NSC 7621;   SMILES=CC(=O)CCC(C)=O;   acetonylacetone;   alpha,beta-diacetylethane;   hexane-2,5-dione
 xref: CAS:110-13-4
 xref_mesh: MESH:C011269
 xref: MetaCyc:CPD-15521;   PMID:1781736;   PMID:24634916;   PMID:25549948;   Reaxys:506525;   Wikipedia:Hexane-2\,5-dione

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  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          neurotoxin 0
            2,5-hexanedione 0
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  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
                                  carbonyl compound 0
                                    ketone 0
                                      diketone 0
                                        2,5-hexanedione 0
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