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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 chr12:19,406,133...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 19838
    role 19814
      biological role 19812
        pharmacological role 19057
          neurotransmitter agent 16742
            miotic 77
              ecothiopate iodide 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    main group molecular entity 19786
                      s-block molecular entity 19624
                        hydrogen molecular entity 19611
                          hydrides 19117
                            inorganic hydride 18115
                              pnictogen hydride 18104
                                nitrogen hydride 18011
                                  ammonium 8306
                                    ammonium ion derivative 8301
                                      quaternary ammonium ion 5274
                                        cholines 4827
                                          choline 3583
                                            choline ester 133
                                              phosphocholines 133
                                                ecothiopate 4
                                                  ecothiopate iodide 4
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