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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:S-3100-CA
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Accession:CHEBI:191219 term browser browse the term
Definition:An aromatic ether that is benzene substituted by [2-(carboxymethoxy)pyridin-3-yl]oxy, chloro, fluoro, and 3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl groups at position 1, 2, 4 and 5, respectively. It is the active metabolite of the proherbicide epyrifenacil.
Synonyms:exact_synonym: [(3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]phenoxy}pyridin-2-yl)oxy]acetic acid
 related_synonym: Formula=C19H12ClF4N3O6;   InChI=1S/C19H12ClF4N3O6/c1-26-14(19(22,23)24)7-15(28)27(18(26)31)11-6-13(9(20)5-10(11)21)33-12-3-2-4-25-17(12)32-8-16(29)30/h2-7H,8H2,1H3,(H,29,30);   InChIKey=XZWQUPYFQIJUQZ-UHFFFAOYSA-N;   SMILES=CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=C(F)C=C(Cl)C(OC2=C(OCC(O)=O)N=CC=C2)=C1
 xref: PMID:34619012;   PMID:34853245;   PMID:34908893;   PMID:35143805


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epyrifenacil term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ppox protoporphyrinogen oxidase decreases activity EXP
ISO		 epyrifenacil metabolite results in decreased activity of PPOX protein; epyrifenacil results in decreased activity of PPOX protein CTD PMID:34908893 NCBI chr13:83,697,661...83,701,998
Ensembl chr13:83,664,891...83,701,805 		JBrowse link
G Slco1a4 solute carrier organic anion transporter family, member 1a4 increases uptake
multiple interactions		 EXP
ISO		 SLCO1A4 protein results in increased uptake of epyrifenacil metabolite
Digoxin inhibits the reaction [SLCO1A4 protein results in increased uptake of epyrifenacil metabolite]; Rifampin inhibits the reaction [SLCO1A4 protein results in increased uptake of epyrifenacil metabolite]; rifamycin SV inhibits the reaction [SLCO1A4 protein results in increased uptake of epyrifenacil metabolite]		 CTD PMID:34619012 NCBI chr 4:174,710,004...174,764,810
Ensembl chr 4:174,710,004...175,254,573 		JBrowse link
G Slco1b2 solute carrier organic anion transporter family member 1B2 increases uptake
multiple interactions		 ISO
EXP		 SLCO1B2 protein results in increased uptake of epyrifenacil metabolite
Rifampin inhibits the reaction [SLCO1B2 protein results in increased uptake of epyrifenacil metabolite]; rifamycin SV inhibits the reaction [SLCO1B2 protein results in increased uptake of epyrifenacil metabolite]
Rifampin inhibits the reaction [SLCO1B3 protein results in increased uptake of epyrifenacil metabolite]; rifamycin SV inhibits the reaction [SLCO1B3 protein results in increased uptake of epyrifenacil metabolite]		 CTD PMID:34619012 NCBI chr 4:174,551,463...174,619,988
Ensembl chr 4:174,551,480...174,619,981 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      application 19735
        pesticide 18095
          herbicide 16016
            S-3100-CA 3
              epyrifenacil 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            organic molecule 19755
                              organic cyclic compound 19545
                                organic heterocyclic compound 18906
                                  organic heteromonocyclic compound 17828
                                    diazines 13229
                                      pyrimidines 13073
                                        pyrimidone 10508
                                          S-3100-CA 3
                                            epyrifenacil 3
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