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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 19786
    chemical entity 19786
      molecular entity 19784
        ion 15941
          organic ion 8465
            organic cation 7322
              quaternary ammonium ion 5110
                bethanechol 9
                  (S)-bethanechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic ester 15539
                                        carbamate ester 7445
                                          bethanechol 9
                                            (S)-bethanechol 0
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