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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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nitisinone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gclc glutamate-cysteine ligase, catalytic subunit multiple interactions ISO [nitisinone results in decreased activity of HPD protein] which results in decreased expression of GCLC mRNA CTD PMID:12899938 NCBI chr 8:85,059,051...85,097,471
Ensembl chr 8:85,059,051...85,097,468
JBrowse link
G Gclm glutamate cysteine ligase, modifier subunit multiple interactions ISO [nitisinone results in decreased activity of HPD protein] which results in decreased expression of GCLM mRNA CTD PMID:12899938 NCBI chr 2:225,827,504...225,847,876
Ensembl chr 2:225,827,504...225,847,874
JBrowse link
G Hmox1 heme oxygenase 1 multiple interactions ISO [nitisinone results in decreased activity of HPD protein] which results in decreased expression of HMOX1 mRNA CTD PMID:12899938 NCBI chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456
JBrowse link
G Hpd 4-hydroxyphenylpyruvate dioxygenase multiple interactions ISO [nitisinone results in decreased activity of HPD protein] which results in decreased expression of GCLC mRNA; [nitisinone results in decreased activity of HPD protein] which results in decreased expression of GCLM mRNA; [nitisinone results in decreased activity of HPD protein] which results in decreased expression of HMOX1 mRNA; [nitisinone results in decreased activity of HPD protein] which results in decreased expression of NQO1 mRNA CTD PMID:12899938 NCBI chr12:38,828,606...38,839,956
Ensembl chr12:38,828,444...38,839,969
JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 multiple interactions ISO [nitisinone results in decreased activity of HPD protein] which results in decreased expression of NQO1 mRNA CTD PMID:12899938 NCBI chr19:38,422,210...38,437,103
Ensembl chr19:38,422,164...38,437,180
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      biological role 19711
        xenobiotic 18387
          mesotrione 5
            nitisinone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      ketone 16824
                                        aromatic ketone 12099
                                          benzophenones 1179
                                            benzophenone 721
                                              mesotrione 5
                                                nitisinone 5
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