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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:phenthoate
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Accession:CHEBI:34917 term browser browse the term
Definition:An organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.
Synonyms:exact_synonym: ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate
 related_synonym: Dimephenthioate;   Ethyl alpha-((dimethoxyphosphenothioyl)thio)benzeneacetate;   Fenthoate;   Formula=C12H17O4PS2;   InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3;   InChIKey=XAMUDJHXFNRLCY-UHFFFAOYSA-N;   O,O-Dimethyl S-alpha-Ethoxycarbonylbenzyl phosphorodithioate;   S-[alpha-(Ethoxycarbonyl)benzyl] O,O-dimethyl phosphorodithioate;   SMILES=CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1
 xref: Beilstein:2474108;   CAS:2597-03-7;   KEGG:C14429
 xref_mesh: MESH:C008838
 xref: PPDB:518;   Patent:CN102037953;   Patent:CN102037996;   Reaxys:2474108;   Wikipedia:Phenthoate


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phenthoate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase multiple interactions ISO [phenthoate binds to ALB protein] which affects the activity of ACHE protein CTD PMID:31362050 NCBI chr12:22,472,358...22,477,052
Ensembl chr12:22,472,358...22,478,753
JBrowse link
G Alb albumin multiple interactions ISO [phenthoate binds to ALB protein] which affects the activity of ACHE protein; phenthoate binds to and affects the folding of ALB protein CTD PMID:31362050 NCBI chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases expression ISO phenthoate results in increased expression of CYP1A2 mRNA CTD PMID:22310298 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 decreases activity
increases expression
ISO phenthoate results in decreased activity of CYP2B6 protein
phenthoate results in increased expression of CYP2B6 mRNA
CTD PMID:22310298 NCBI chr 1:83,163,103...83,236,615
Ensembl chr 1:83,163,079...83,236,615
JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 decreases activity ISO phenthoate results in decreased activity of CYP2D6 protein CTD PMID:20183062 NCBI chr 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 decreases activity
multiple interactions
ISO phenthoate results in decreased activity of CYP2E1 protein
phenthoate inhibits the reaction [CYP2E1 protein results in increased hydroxylation of Chlorzoxazone]
CTD PMID:22634058 NCBI chr 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO phenthoate 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 phenthoate 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 expression
increases activity
ISO phenthoate results in increased expression of NR1I3 mRNA
phenthoate results in increased activity of NR1I3 protein
CTD PMID:22310298, 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 19785
    role 19732
      application 19391
        agrochemical 14435
          phenthoate 9
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      chalcogen 19360
                        oxygen atom 19321
                          oxygen molecular entity 19321
                            hydroxides 19066
                              oxoacid 18192
                                pnictogen oxoacid 10144
                                  phosphorus oxoacid 9032
                                    phosphoric acids 7794
                                      phosphoric acid 7794
                                        phosphoric acid derivative 7473
                                          phosphate 7473
                                            organic phosphate 7472
                                              organic thiophosphate 2814
                                                phenthoate 9
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