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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:neostigmine
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Accession:CHEBI:7514 term browser browse the term
Definition:A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.
Synonyms:exact_synonym: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium
 related_synonym: (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate;   3-Trimethylammoniumphenyl N,N-dimethylcarbamate;   Eustigmin;   Eustigmine;   Formula=C12H19N2O2;   InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1;   InChIKey=ALWKGYPQUAPLQC-UHFFFAOYSA-N;   Prostigmine;   SMILES=CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C;   Vagostigmine;   m-Trimethylammoniumphenyldimethylcarbamate
 xref: Beilstein:3615946;   CAS:59-99-4;   DrugBank:DB01400;   Drug_Central:1897;   HMDB:HMDB0015472;   KEGG:C07258;   KEGG:D08261;   LINCS:LSM-5360
 xref_mesh: MESH:D009388
 xref: PMID:7200780;   PMID:8584207;   Reaxys:3615946;   Wikipedia:Neostigmine


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
            organic cation 0
              quaternary ammonium ion 0
                neostigmine 0
                  neostigmine bromide 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  ammonium 0
                                    ammonium ion derivative 0
                                      quaternary ammonium ion 0
                                        neostigmine 0
                                          neostigmine bromide 0
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