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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:entacapone
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Accession:CHEBI:4798 term browser browse the term
Definition:A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.
Synonyms:exact_synonym: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
 related_synonym: (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide;   Comtan;   Comtess;   Formula=C14H15N3O5;   InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+;   InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N;   N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide;   SMILES=CCN(CC)C(=O)C(\\C#N)=C\\c1cc(O)c(O)c(c1)[N+]([O-])=O;   entacapona;   entacaponum
 xref: CAS:130929-57-6;   DrugBank:DB00494;   Drug_Central:1018;   KEGG:C07943;   KEGG:D00781
 xref_mesh: MESH:C071192
 xref: PMID:11244274;   PMID:11586115;   PMID:11732751;   PMID:12952501;   PMID:15698633;   PMID:15875340;   PMID:15878587;   PMID:15992091;   PMID:19578428;   PMID:19879254;   Patent:EP426468;   Patent:US5135950;   Patent:US6599530;   Patent:WO2005063693;   Reaxys:8158723;   Wikipedia:Entacapone

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        pseudohalo group 0
          cyano group 0
            nitrile 0
              entacapone 0
                3-O-ethylentacapone 0
                3-O-methylentacapone 0
Path 2
Term Annotations click to browse term
  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
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                entacapone 0
                                                  3-O-ethylentacapone 0
                                                  3-O-methylentacapone 0
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