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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 19867
    role 19837
      biological role 19835
        xenobiotic 18714
          mesotrione 13
            nitisinone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    main group molecular entity 19803
                      s-block molecular entity 19638
                        hydrogen molecular entity 19620
                          hydrides 19141
                            organic hydride 18692
                              organic fundamental parent 18692
                                hydrocarbon 18446
                                  halohydrocarbon 15855
                                    haloalkane 12898
                                      fluoroalkane 9224
                                        fluoromethanes 6772
                                          tetrafluoromethane 6772
                                            trifluoromethyl group 6772
                                              (trifluoromethyl)benzenes 6772
                                                nitisinone 5
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