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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:Nitecapone
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Accession:CHEBI:166596 term browser browse the term
Synonyms:exact_synonym: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
 related_synonym: Formula=C12H11NO6;   InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3;   InChIKey=UPMRZALMHVUCIN-UHFFFAOYSA-N;   SMILES=OC1=C([N+]([O-])=O)C=C(C=C(C(=O)C)C(=O)C)C=C1O
 xref: CAS:116313-94-1;   Chemspider:4576539;   HMDB:HMDB0041949;   KEGG:D03241
 xref_mesh: MESH:C057364
 xref: PDBeChem:EAO


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Nitecapone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Comt catechol-O-methyltransferase decreases activity EXP nitecapone results in decreased activity of COMT protein CTD PMID:20726980 NCBI chr16:18,225,632...18,247,006
Ensembl chr16:18,225,636...18,245,602 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22192
    chemical entity 22191
      atom 22184
        nonmetal atom 22069
          carbon atom 21844
            organic molecular entity 21844
              olefinic compound 17093
                cinnamic acids 2515
                  hydroxycinnamic acid 1365
                    Nitecapone 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 22192
    subatomic particle 22184
      composite particle 22184
        hadron 22184
          baryon 22184
            nucleon 22184
              atomic nucleus 22184
                atom 22184
                  main group element atom 22118
                    p-block element atom 22118
                      carbon group element atom 21918
                        carbon atom 21844
                          organic molecular entity 21844
                            heteroorganic entity 21497
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19607
                                    carboxylic acid 19603
                                      monocarboxylic acid 18972
                                        alpha,beta-unsaturated monocarboxylic acid 13647
                                          cinnamic acids 2515
                                            hydroxycinnamic acid 1365
                                              Nitecapone 1
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