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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:nitisinone
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Accession:CHEBI:50378 term browser browse the term
Definition:A cyclohexanone that is cyclohexane-1,3-dione substituted at position 2 by a 2-nitro-4-(trifluoromethyl)benzoyl group. It is used in the treatment of hereditary tyrosinemia type 1.
Synonyms:exact_synonym: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
 related_synonym: 2-(alpha,alpha,alpha-Trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione;   Formula=C14H10F3NO5;   InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2;   InChIKey=OUBCNLGXQFSTLU-UHFFFAOYSA-N;   Orfadin;   SMILES=[O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F;   nitisinona;   nitisinonum
 xref: CAS:104206-65-7;   DrugBank:DB00348;   Drug_Central:1944;   HMDB:HMDB0014492;   KEGG:D05177
 xref_mesh: MESH:C077073
 xref: PMID:14668946;   PMID:15297036;   PMID:17152330;   PMID:17458044;   PMID:20883679;   PMID:21377430;   PMID:21620748;   PMID:21752152;   PMID:21813063;   PMID:21968107;   PMID:21968110;   PMID:22456946;   PMID:22885033;   PMID:23146787;   PMID:23203167;   PMID:23250512;   PMID:23311542;   PMID:23430914;   PMID:23430917;   PMID:23486607;   PMID:23511227;   Patent:EP186118;   Patent:US4774360;   Patent:US5006158;   Patent:US5550165;   Patent:US5668089;   Reaxys:8639943;   Wikipedia:Nitisinone


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          mesotrione 0
            nitisinone 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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  halohydrocarbon 0
                                    haloalkane 0
                                      fluoroalkane 0
                                        fluoromethanes 0
                                          tetrafluoromethane 0
                                            trifluoromethyl group 0
                                              (trifluoromethyl)benzenes 0
                                                nitisinone 0
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