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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:mesotrione
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Accession:CHEBI:38321 term browser browse the term
Definition:An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.
Synonyms:exact_synonym: 2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
 related_synonym: (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione;   2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione;   2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione;   2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione;   Formula=C14H13NO7S;   InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3;   InChIKey=KPUREKXXPHOJQT-UHFFFAOYSA-N;   SMILES=CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+]([O-])=O;   Tenacity
 xref: CAS:104206-82-8;   PMID:11455642;   PMID:20692682;   PPDB:442;   Patent:WO2011016018;   Pesticides:mesotrione;   Reaxys:8999656;   Wikipedia:Mesotrione


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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 19821
    role 19769
      biological role 19769
        xenobiotic 18452
          mesotrione 5
            nitisinone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      ketone 16923
                                        aromatic ketone 12304
                                          benzophenones 1191
                                            benzophenone 730
                                              mesotrione 5
                                                nitisinone 5
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