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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:ecothiopate
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Accession:CHEBI:4753 term browser browse the term
Definition:The phosphorothioate obtained by formal condensation of diethyl phosphate with N,N,N-trimethyl-2-sulfanylethanaminium. An irreversible acetylcholinesterase inhibitor, its iodide salt is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate.
Synonyms:exact_synonym: 2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminium
 related_synonym: (2-diethoxyphosphinylthioethyl)trimethylammonium;   Echothiophate;   Formula=C9H23NO3PS;   InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1;   InChIKey=BJOLKYGKSZKIGU-UHFFFAOYSA-N;   SMILES=CCOP(=O)(OCC)SCC[N+](C)(C)C;   ecothiopatum
 xref: Beilstein:1794025;   CAS:6736-03-4;   DrugBank:DB01057;   Drug_Central:982;   KEGG:C06975;   Wikipedia:Echothiophate



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ecothiopate iodide term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase decreases activity ISO Echothiophate Iodide results in decreased activity of ACHE protein CTD PMID:16978018 NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651
JBrowse link
G Alb albumin affects binding ISO Echothiophate Iodide binds to ALB protein CTD PMID:15525694 NCBI chr14:17,607,397...17,622,814
Ensembl chr14:17,607,381...17,622,836
JBrowse link
G Bche butyrylcholinesterase decreases activity
multiple interactions
ISO Echothiophate Iodide results in decreased activity of BCHE protein
Echothiophate Iodide inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]
CTD PMID:7377577 PMID:16213467 PMID:17698511 PMID:21802514 NCBI chr 2:158,308,674...158,401,148
Ensembl chr 2:158,307,584...158,401,148
JBrowse link
G Nceh1 neutral cholesterol ester hydrolase 1 decreases activity ISO Echothiophate Iodide results in decreased activity of NCEH1 protein CTD PMID:16978018 NCBI chr 2:110,074,985...110,135,592
Ensembl chr 2:110,074,957...110,135,588
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    role 19887
      biological role 19885
        pharmacological role 19104
          neurotransmitter agent 16759
            miotic 76
              ecothiopate 4
                ecothiopate iodide 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19909
          baryon 19909
            nucleon 19909
              atomic nucleus 19909
                atom 19909
                  main group element atom 19859
                    main group molecular entity 19859
                      s-block molecular entity 19692
                        hydrogen molecular entity 19678
                          hydrides 19156
                            inorganic hydride 18129
                              pnictogen hydride 18118
                                nitrogen hydride 18021
                                  ammonium 8310
                                    ammonium ion derivative 8305
                                      quaternary ammonium ion 5271
                                        cholines 4826
                                          choline 3581
                                            choline ester 133
                                              phosphocholines 133
                                                ecothiopate 4
                                                  ecothiopate iodide 4
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