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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:pyridaphenthion
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Accession:CHEBI:38881 term browser browse the term
Definition:A pyridazinone that has formula C14H17N2O4PS.
Synonyms:exact_synonym: O,O-diethyl O-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl) phosphorothioate
 related_synonym: Formula=C14H17N2O4PS;   InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3;   InChIKey=CXJSOEPQXUCJSA-UHFFFAOYSA-N;   O,O-diethyl O-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl) thiophosphate;   Phosphorothioic acid, O-(1,6-dihydro-6-oxo-1-phenyl-3-pyridazinyl) O,O-diethyl ester;   SMILES=CCOP(=S)(OCC)Oc1ccc(=O)n(n1)-c1ccccc1
 xref: Beilstein:302741;   CAS:119-12-0;   KEGG:C18762
 xref_mesh: MESH:C010418
 xref: PPDB:570



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pyridaphenthion term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO pyridafenthion binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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  CHEBI ontology 19808
    role 19757
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        agrochemical 15039
          pyridaphenthion 1
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  CHEBI ontology 19808
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            nucleon 19807
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                        oxygen atom 19432
                          oxygen molecular entity 19432
                            hydroxides 19171
                              oxoacid 18485
                                pnictogen oxoacid 10688
                                  phosphorus oxoacid 9669
                                    phosphoric acids 8466
                                      phosphoric acid 8466
                                        phosphoric acid derivative 8171
                                          phosphate 8171
                                            organic phosphate 8170
                                              organic thiophosphate 3716
                                                pyridaphenthion 1
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