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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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Term Annotations click to browse term
  CHEBI ontology 5151
    role 5118
      biological role 5118
        aetiopathogenetic role 4720
          neurotoxin 504
            2,5-hexanedione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5151
    subatomic particle 5142
      composite particle 5142
        hadron 5142
          baryon 5142
            nucleon 5142
              atomic nucleus 5142
                atom 5142
                  main group element atom 5115
                    p-block element atom 5112
                      carbon group element atom 5030
                        carbon atom 5029
                          organic molecular entity 5029
                            heteroorganic entity 4874
                              organochalcogen compound 4828
                                organooxygen compound 4792
                                  carbonyl compound 4741
                                    ketone 4448
                                      diketone 1
                                        2,5-hexanedione 0
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