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ONTOLOGY REPORT - ANNOTATIONS


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 227
    role 227
      biological role 227
        aetiopathogenetic role 145
          neurotoxin 108
            2,5-hexanedione 0
Path 2
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  CHEBI ontology 227
    subatomic particle 227
      composite particle 227
        hadron 227
          baryon 227
            nucleon 227
              atomic nucleus 227
                atom 227
                  main group element atom 220
                    p-block element atom 220
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            organic group 154
                              organic divalent group 153
                                organodiyl group 153
                                  carbonyl group 153
                                    carbonyl compound 153
                                      ketone 48
                                        diketone 1
                                          2,5-hexanedione 0
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