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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:Thiobencarb
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Accession:CHEBI:35011 term browser browse the term
Definition:A monothiocarbamic ester that has formula C12H16ClNOS.
Synonyms:related_synonym: Benthiocarb;   Formula=C12H16ClNOS;   InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3;   InChIKey=QHTQREMOGMZHJV-UHFFFAOYSA-N;   S-4-Chlorobenzyl diethylthiocarbamate;   SMILES=CCN(CC)C(=O)SCc1ccc(Cl)cc1
 xref: CAS:28249-77-6;   KEGG:C14428
 xref_mesh: MESH:C037925
 xref: PPDB:636


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Thiobencarb term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase decreases activity EXP benthiocarb results in decreased activity of ACHE protein CTD PMID:2775302 PMID:8440873 NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651 		JBrowse link
G Ar androgen receptor multiple interactions ISO Dihydrotestosterone inhibits the reaction [benthiocarb results in increased activity of AR protein] CTD PMID:15064155 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925 		JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO benthiocarb 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 		JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 increases activity ISO benthiocarb results in increased activity of NR1I3 protein CTD PMID:28927721 NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906 		JBrowse link
G Tp53 tumor protein p53 affects activity ISO benthiocarb metabolite affects the activity of TP53 protein CTD PMID:35435491 NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19890
    chemical entity 19867
      atom 19888
        nonmetal atom 19789
          nitrogen atom 18971
            nitrogen molecular entity 18971
              organonitrogen compound 18845
                thiocarbamic ester 20
                  monothiocarbamic ester 13
                    Thiobencarb 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  ester 17477
                                    thiocarboxylic ester 202
                                      thiocarbamic ester 20
                                        monothiocarbamic ester 13
                                          Thiobencarb 5
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