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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:(S)-bethanechol chloride
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Accession:CHEBI:59263 term browser browse the term
Definition:The (S)-enantiomer of bethanechol chloride.
Synonyms:exact_synonym: (2S)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride
 related_synonym: (+)-carbamoyl-beta-methylcholine chloride;   (S)-2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride;   (S)-carbamoyl-beta-methylcholine chloride;   Formula=C7H17ClN2O2;   InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H/t6-;/m0./s1;   InChIKey=XXRMYXBSBOVVBH-RGMNGODLSA-N;   SMILES=[Cl-].C[C@@H](C[N+](C)(C)C)OC(N)=O
 xref: DrugBank:DB01019
 cyclic_relationship: is_enantiomer_of CHEBI:59262


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      biological role 5030
        biochemical role 4951
          cofactor 160
            chloride 14
              chloride salt 14
                bethanechol chloride 0
                  (S)-bethanechol chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    main group molecular entity 5025
                      s-block molecular entity 4957
                        hydrogen molecular entity 4950
                          hydrides 4555
                            inorganic hydride 405
                              pnictogen hydride 401
                                nitrogen hydride 401
                                  ammonium 49
                                    ammonium ion derivative 49
                                      ammonium compound 7
                                        organoammonium salt 5
                                          quaternary ammonium salt 0
                                            bethanechol chloride 0
                                              (S)-bethanechol chloride 0
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