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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
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Accession:CHEBI:59261 term browser browse the term
Definition:The (S)-enantiomer of bethanechol.
Synonyms:exact_synonym: (2S)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium
 related_synonym: (S)-carbamoyl-beta-methylcholine;   Formula=C7H17N2O2;   InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1/t6-/m0/s1;   InChIKey=NZUPCNDJBJXXRF-LURJTMIESA-O;   SMILES=C[C@@H](C[N+](C)(C)C)OC(N)=O
 xref: Beilstein:6890834;   DrugBank:DB01019
 cyclic_relationship: is_enantiomer_of CHEBI:59260


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22194
    chemical entity 22193
      molecular entity 22185
        ion 17694
          organic ion 10082
            organic cation 9100
              quaternary ammonium ion 5407
                bethanechol 9
                  (S)-bethanechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19606
                                    carbamic acid 18139
                                      carbamate ester 7555
                                        bethanechol 9
                                          (S)-bethanechol 0
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