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ONTOLOGY REPORT - ANNOTATIONS


Term:butylscopolamine
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Accession:CHEBI:145701 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane.
Synonyms:exact_synonym: (2R,4S,5S,7s)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
 related_synonym: Formula=C21H30NO4;   InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1;   InChIKey=YBCNXCRZPWQOBR-WVHCHWADSA-N;   N-butylscopolamine;   N-butylscopolammonium;   N-butylscopolammonium cation;   N-butylscopolammonium ion;   SMILES=[C@@H]12[C@@H](O1)[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](C4=CC=CC=C4)CO)CCCC;   butilescopolamina;   butylscopolammonium
 xref: CAS:7182-53-8 "ChemIDplus";   DrugBank:DB09300;   Drug_Central:458 "DrugCentral";   PMID:11189901 "Europe PMC";   PMID:15586641 "Europe PMC";   PMID:17039447 "Europe PMC";   PMID:18049092 "Europe PMC";   PMID:19468628 "Europe PMC";   PMID:22467253 "Europe PMC";   PMID:22925156 "Europe PMC";   PMID:23869107 "Europe PMC";   PMID:27033592 "Europe PMC";   PMID:27557455 "Europe PMC";   PMID:30076627 "Europe PMC"


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butylscopolamine bromide term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Slc22a2 solute carrier family 22 member 2 JBrowse link 1 48,318,025 48,360,219 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    chemical entity 19732
      molecular entity 19729
        main group molecular entity 19614
          gas molecular entity 17247
            oxirane 5317
              epoxide 5315
                butylscopolamine 1
                  butylscopolamine bromide 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic molecule 19418
                              organic cyclic compound 19189
                                organic heterocyclic compound 18267
                                  organic heteromonocyclic compound 16353
                                    saturated organic heteromonocyclic parent 5356
                                      oxirane 5317
                                        epoxide 5315
                                          butylscopolamine 1
                                            butylscopolamine bromide 1
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