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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 856
    role 834
      biological role 834
        aetiopathogenetic role 437
          neurotoxin 286
            2,5-hexanedione 0
Path 2
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  CHEBI ontology 856
    subatomic particle 841
      composite particle 841
        hadron 841
          baryon 841
            nucleon 841
              atomic nucleus 841
                atom 841
                  main group element atom 829
                    p-block element atom 826
                      carbon group element atom 799
                        carbon atom 795
                          organic molecular entity 795
                            organic group 373
                              organic divalent group 371
                                organodiyl group 371
                                  carbonyl group 370
                                    carbonyl compound 370
                                      ketone 175
                                        diketone 1
                                          2,5-hexanedione 0
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