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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 chr12:22,472,358...22,477,052
Ensembl chr12:22,472,358...22,478,753
JBrowse link
G Alb albumin affects binding ISO Echothiophate Iodide binds to ALB protein CTD PMID:15525694 NCBI chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
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 2:171,104,476...171,196,186
Ensembl chr 2:171,100,140...171,196,395
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 2:112,868,834...112,932,622
Ensembl chr 2:112,868,707...112,934,953
JBrowse link

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  CHEBI ontology 19817
    role 19767
      biological role 19767
        pharmacological role 18836
          neurotransmitter agent 16454
            miotic 70
              ecothiopate iodide 4
Path 2
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  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    main group molecular entity 19705
                      s-block molecular entity 19458
                        hydrogen molecular entity 19451
                          hydrides 18730
                            inorganic hydride 17476
                              pnictogen hydride 17450
                                nitrogen hydride 17296
                                  ammonium 8225
                                    ammonium ion derivative 8221
                                      quaternary ammonium ion 5090
                                        cholines 4785
                                          choline 3536
                                            choline ester 124
                                              phosphocholines 124
                                                ecothiopate 4
                                                  ecothiopate iodide 4
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