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ONTOLOGY REPORT - ANNOTATIONS


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 "ChemIDplus";   CAS:130929-57-6 "KEGG COMPOUND";   DrugBank:DB00494;   Drug_Central:1018 "DrugCentral";   KEGG:C07943;   KEGG:D00781
 xref_mesh: MESH:C071192
 xref: PMID:11244274 "Europe PMC";   PMID:11586115 "Europe PMC";   PMID:11732751 "Europe PMC";   PMID:12952501 "Europe PMC";   PMID:15698633 "Europe PMC";   PMID:15875340 "Europe PMC";   PMID:15878587 "Europe PMC";   PMID:15992091 "Europe PMC";   PMID:19578428 "Europe PMC";   PMID:19879254 "Europe PMC";   Patent:EP426468;   Patent:US5135950;   Patent:US6599530;   Patent:WO2005063693;   Reaxys:8158723 "Reaxys";   Wikipedia:Entacapone


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entacapone term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Acox3 acyl-CoA oxidase 3, pristanoyl JBrowse link 14 80,313,202 80,358,115 RGD:6480464
G Acsl1 acyl-CoA synthetase long-chain family member 1 JBrowse link 16 48,937,456 49,003,898 RGD:6480464
G Adprhl1 ADP-ribosylhydrolase like 1 JBrowse link 16 81,616,098 81,648,133 RGD:6480464
G Auh AU RNA binding methylglutaconyl-CoA hydratase JBrowse link 17 12,310,178 12,405,224 RGD:6480464
G Cltc clathrin heavy chain JBrowse link 10 74,014,560 74,070,578 RGD:6480464
G Comt catechol-O-methyltransferase JBrowse link 11 86,715,981 86,735,630 RGD:6480464
G Echs1 enoyl-CoA hydratase, short chain 1 JBrowse link 1 212,570,213 212,579,040 RGD:6480464
G Gpam glycerol-3-phosphate acyltransferase, mitochondrial JBrowse link 1 275,843,823 275,906,880 RGD:6480464
G Hbb hemoglobin subunit beta JBrowse link 1 168,971,269 168,972,680 RGD:6480464
G Hsd17b13 hydroxysteroid (17-beta) dehydrogenase 13 JBrowse link 14 7,113,544 7,128,218 RGD:6480464
G Hsd17b4 hydroxysteroid (17-beta) dehydrogenase 4 JBrowse link 18 44,810,462 44,897,677 RGD:6480464
G Pc pyruvate carboxylase JBrowse link 1 219,759,157 219,859,854 RGD:6480464
G Snca synuclein alpha JBrowse link 4 90,782,412 90,883,236 RGD:6480464
G Sult2a1 sulfotransferase family 2A member 1 JBrowse link 1 76,558,721 76,614,315 RGD:6480464
G Ugt1a1 UDP glucuronosyltransferase family 1 member A1 JBrowse link 9 95,295,701 95,302,822 RGD:6480464
G Ugt1a2 UDP glucuronosyltransferase 1 family, polypeptide A2 JBrowse link 9 95,285,592 95,302,822 RGD:6480464
G Ugt1a8 UDP glucuronosyltransferase family 1 member A8 JBrowse link 9 95,221,474 95,302,822 RGD:6480464
G Ugt1a9 UDP glucuronosyltransferase family 1 member A9 JBrowse link 9 95,161,157 95,302,822 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    chemical entity 19667
      group 19582
        pseudohalo group 2767
          cyano group 2767
            nitrile 2767
              entacapone 18
                3-O-ethylentacapone 0
                3-O-methylentacapone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                monocarboxylic acid amide 13180
                                                  entacapone 18
                                                    3-O-ethylentacapone 0
                                                    3-O-methylentacapone 0
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