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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 8:78,629,899...78,668,547
Ensembl chr 8:78,630,127...78,668,544 		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 2:210,347,482...210,367,537
Ensembl chr 2:210,347,482...210,367,535 		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 chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079 		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 chr12:33,381,397...33,392,750
Ensembl chr12:33,381,231...33,392,766 		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 chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19900
    role 19875
      biological role 19873
        xenobiotic 18765
          mesotrione 13
            nitisinone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19900
    subatomic particle 19898
      composite particle 19898
        hadron 19898
          baryon 19898
            nucleon 19898
              atomic nucleus 19898
                atom 19898
                  main group element atom 19845
                    p-block element atom 19845
                      carbon group element atom 19792
                        carbon atom 19787
                          organic molecular entity 19787
                            organic group 18957
                              organic divalent group 18938
                                organodiyl group 18938
                                  carbonyl group 18890
                                    carbonyl compound 18890
                                      ketone 17189
                                        aromatic ketone 12440
                                          benzophenones 1280
                                            benzophenone 743
                                              mesotrione 13
                                                nitisinone 5
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