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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 ISO Dihydrotestosterone inhibits the reaction [isofenphos results in increased activity of AR protein] CTD PMID:15064155 NCBI chr  X:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 increases expression ISO isofenphos results in increased expression of CYP3A4 mRNA CTD PMID:17293382 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO isofenphos results in increased activity of ESR1 protein CTD PMID:15064155 NCBI chr 1:41,192,029...41,594,799
Ensembl chr 1:41,192,824...41,594,796
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions 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 chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 increases activity ISO isofenphos results in increased activity of NR1I3 protein CTD PMID:28927721 NCBI chr13:89,585,072...89,591,278
Ensembl chr13:89,586,283...89,591,277
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      application 19406
        agrochemical 14675
          isofenphos 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        aromatic carboxylic acid 11266
                                          benzoic acids 11237
                                            benzoic acid 3865
                                              hydroxybenzoic acid 3254
                                                monohydroxybenzoic acid 1286
                                                  salicylic acid 768
                                                    isopropyl salicylate 17
                                                      isofenphos 5
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