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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:isofenphos
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Accession:CHEBI:6009 term browser browse the term
Definition:A salicylate that has formula C15H24NO4PS.
Synonyms:exact_synonym: propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphorothioyl}oxy)benzoate
 related_synonym: 1-methylethyl 2-({ethoxy[(1-methylethyl)amino]phosphorothioyl}oxy)benzoate;   1-methylethyl-2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy) benzoate;   2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]benzoic acid 1-methylethyl ester;   Formula=C15H24NO4PS;   InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22);   InChIKey=HOQADATXFBOEGG-UHFFFAOYSA-N;   O-ethyl O-(2-isopropoxycarbonyl)phenyl isopropylphosphoramidothioate;   Oftanol;   SMILES=CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C;   isophenphos;   isopropyl 2-{[ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate;   isopropylsalicylate, O-ester with O-ethyl isopropylphosphoramidothioate
 xref: Beilstein:2949615;   CAS:25311-71-1;   KEGG:C11002
 xref_mesh: MESH:C035019
 xref: PPDB:406


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isofenphos term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G AR androgen receptor multiple interactions EXP Dihydrotestosterone inhibits the reaction [isofenphos results in increased activity of AR protein] CTD PMID:15064155 NCBI chr  X:67,544,021...67,730,619
Ensembl chr  X:67,544,021...67,730,619 		JBrowse link
G CYP3A4 cytochrome P450 family 3 subfamily A member 4 increases expression EXP isofenphos results in increased expression of CYP3A4 mRNA CTD PMID:17293382 NCBI chr 7:99,756,967...99,784,184
Ensembl chr 7:99,756,960...99,784,248 		JBrowse link
G ESR1 estrogen receptor 1 increases activity EXP isofenphos results in increased activity of ESR1 protein CTD PMID:15064155 NCBI chr 6:151,656,672...152,129,619
Ensembl chr 6:151,656,691...152,129,619 		JBrowse link
G NR1I2 nuclear receptor subfamily 1 group I member 2 multiple interactions EXP
ISO		 isofenphos binds to and results in increased activity of NR1I2 protein; isofenphos metabolite binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 NCBI chr 3:119,782,101...119,818,487
Ensembl chr 3:119,780,484...119,818,487 		JBrowse link
G NR1I3 nuclear receptor subfamily 1 group I member 3 increases activity EXP isofenphos results in increased activity of NR1I3 protein CTD PMID:28927721 NCBI chr 1:161,229,669...161,238,203
Ensembl chr 1:161,229,666...161,238,244 		JBrowse link
G TP53 tumor protein p53 affects activity EXP isofenphos metabolite affects the activity of TP53 protein CTD PMID:35435491 NCBI chr17:7,668,421...7,687,490
Ensembl chr17:7,661,779...7,687,538 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      application 25172
        agrochemical 17514
          isofenphos 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbon oxoacid 22749
                                    carboxylic acid 22729
                                      monocarboxylic acid 21724
                                        fatty acid 18997
                                          fatty acid derivative 9189
                                            fatty alcohol 6068
                                              secondary fatty alcohol 791
                                                propan-2-ol 791
                                                  isopropyl ester 775
                                                    isopropyl salicylate 19
                                                      isofenphos 6
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