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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 20056
    role 20008
      biological role 20007
        xenobiotic 18664
          mesotrione 5
            nitisinone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      ketone 17091
                                        aromatic ketone 12372
                                          benzophenones 1192
                                            benzophenone 733
                                              mesotrione 5
                                                nitisinone 5
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