nitisinone (CHEBI:50378)

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ChEBI Name	nitisinone

ChEBI ID	CHEBI:50378

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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000004632133

Download	Molfile XML SDF

Wikipedia	License
Leukotriene A4 (LTA4) is a leukotriene, and is the precursor for the productions of leukotriene B4 (LTB4) and leukotriene C4 (LTC4).
Read full article at Wikipedia

Formula

C14H10F3NO5

Net Charge

Average Mass

329.22810

Monoisotopic Mass

329.05111

InChI

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

SMILES

[O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. (via mesotrione )

Biological Role(s):	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27). (via mesotrione ) carotenoid biosynthesis inhibitor Any pathway inhibitor that acts on the carotenoid biosynthesis pathway. (via mesotrione ) xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. (via mesotrione )

Application(s):	herbicide A substance used to destroy plant pests. (via mesotrione )

ChEBI Ontology
Outgoing	nitisinone (CHEBI:50378) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317) nitisinone (CHEBI:50378) is a (trifluoromethyl)benzenes (CHEBI:83565) nitisinone (CHEBI:50378) is a C-nitro compound (CHEBI:35716) nitisinone (CHEBI:50378) is a cyclohexanones (CHEBI:23482) nitisinone (CHEBI:50378) is a mesotrione (CHEBI:38321)

IUPAC Name

2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione

Synonym	Source
2-(alpha,alpha,alpha-Trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione	ChemIDplus

Brand Name	Source
Orfadin	DrugBank

Last Modified

04 March 2018