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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:docebenone
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Accession:CHEBI:2340 term browser browse the term
Definition:A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group.
Synonyms:exact_synonym: 2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
 related_synonym: 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone;   2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone;   2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone;   6-(12-hydroxydodeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone;   AA-861;   AA861;   Formula=C21H26O3;   InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3;   InChIKey=WDEABJKSGGRCQA-UHFFFAOYSA-N;   SMILES=CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O;   docebenona;   docebenonum
 xref: CAS:80809-81-0;   KEGG:C01349;   KEGG:D03882
 xref_mesh: MESH:C036837
 xref: PMID:16903934;   PMID:17645780;   PMID:2447953;   Reaxys:4262656

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  CHEBI ontology 0
    role 0
      biological role 0
        inhibitor 0
          ferroptosis inhibitor 0
            docebenone 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
                                      cyclic ketone 0
                                        quinone 0
                                          benzoquinones 0
                                            1,4-benzoquinones 0
                                              docebenone 0
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