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
Accession: CHEBI:34917
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Definition: An organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.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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Ache
acetylcholinesterase
multiple interactions
ISO
[phenthoate binds to ALB protein] which affects the activity of ACHE protein
CTD
PMID:31362050
NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651
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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 chr14:17,607,397...17,622,814
Ensembl chr14:17,607,381...17,622,836
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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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
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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 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
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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 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
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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 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023
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Cyp3a2
cytochrome P450, family 3, subfamily a, polypeptide 2
decreases activity increases activity increases expression
ISO
phenthoate results in decreased activity of CYP3A4 protein phenthoate results in increased activity of CYP3A4 protein phenthoate results in increased expression of CYP3A4 mRNA
CTD
PMID:20183062 PMID:22310298
NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008
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Esr1
estrogen receptor 1
increases activity
ISO
phenthoate results in increased activity of ESR1 protein
CTD
PMID:15064155
NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
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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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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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 chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
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