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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 iodide
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Accession:CHEBI:59849 term browser browse the term
Definition:The iodide salt of ecothiopate. An irreversible acetylcholinesterase inhibitor, it 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 iodide
 related_synonym: (2-mercaptoethyl)trimethylammonium iodidie O,O-diethyl phosphorothioate;   2-[(diethoxyphosphinyl)thio]-N,N,N-trimethylethanaminium iodide;   2-diethoxy-phosphinylthioethyl-trimethylammonium iodide;   Formula=C9H23INO3PS;   InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1;   InChIKey=OVXQHPWHMXOFRD-UHFFFAOYSA-M;   N-(2-(diethoxyphosphinylthio)ethyl)trimethylammonium iodide;   O,O-diethyl S-2-trimethylammonium ethylphosphonothiolate iodide;   S-(2-(N,N,N-trimethylammonio)ethyl) O,O-diethylphosphorothiolate iodide;   S-(2-dimethylaminoethyl)-O,O-diethylphosphorothioate methiodide;   S-beta-dimethylaminoethyl-O,O-diethylthionophosphate methiodide;   SMILES=[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C;   diethoxyphosphinylthiocholine iodide;   diethoxyphosphoryl-thiocholine iodide;   ecothiopati iodidum;   ecothiophate iodide;   iodure d'ecothiopate;   ioduro de ecotiopato
 xref: Beilstein:3762945;   CAS:513-10-0;   DrugBank:DB01057;   KEGG:D02193
 xref_mesh: MESH:D004456
 xref: Patent:US2911430



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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 chr12:19,407,359...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

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  CHEBI ontology 20060
    role 20014
      biological role 20013
        pharmacological role 19109
          neurotransmitter agent 16606
            miotic 74
              ecothiopate iodide 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 20060
    subatomic particle 20059
      composite particle 20059
        hadron 20059
          baryon 20059
            nucleon 20059
              atomic nucleus 20059
                atom 20059
                  main group element atom 19962
                    main group molecular entity 19962
                      s-block molecular entity 19761
                        hydrogen molecular entity 19753
                          hydrides 19125
                            inorganic hydride 17921
                              pnictogen hydride 17904
                                nitrogen hydride 17792
                                  ammonium 8303
                                    ammonium ion derivative 8299
                                      quaternary ammonium ion 5215
                                        cholines 4816
                                          choline 3568
                                            choline ester 132
                                              phosphocholines 132
                                                ecothiopate 4
                                                  ecothiopate iodide 4
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