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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:trospium
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Accession:CHEBI:145791 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (1S,3R,5R)-3-hydroxy-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder.
Synonyms:exact_synonym: (1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium
 related_synonym: (1alpha,3beta,5alpha)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium];   Formula=C25H30NO3;   InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+;   InChIKey=OYYDSUSKLWTMMQ-JKHIJQBDSA-N;   SMILES=[N+]12([C@]3(C[C@H](OC(C(C4=CC=CC=C4)(C5=CC=CC=C5)O)=O)C[C@@]1(CC3)[H])[H])CCCC2;   tropsium cation;   tropsium ion
 xref: CAS:47608-32-2;   DrugBank:DB00209;   Drug_Central:2776;   HMDB:HMDB0014354;   PMID:21212936;   PMID:26186951;   PMID:28247723;   PMID:30656943;   PMID:30697533;   PMID:31602966



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trospium chloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A multiple interactions
increases transport
ISO valspodar inhibits the reaction [ABCB1 protein results in increased transport of trospium chloride] CTD PMID:25466967 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
JBrowse link
G Slc22a1 solute carrier family 22 member 1 decreases activity
increases metabolic processing
ISO trospium chloride results in decreased activity of SLC22A1 protein
SLC22A1 protein results in increased metabolism of trospium chloride
CTD PMID:25466967 NCBI chr 1:48,076,657...48,103,679
Ensembl chr 1:48,076,666...48,103,678
JBrowse link
G Slc22a2 solute carrier family 22 member 2 decreases activity ISO trospium chloride results in decreased activity of SLC22A2 protein CTD PMID:25466967 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link
G Slco1a4 solute carrier organic anion transporter family, member 1a4 increases metabolic processing
decreases activity
ISO SLCO1A2 protein results in increased metabolism of trospium chloride
trospium chloride results in decreased activity of SLCO1A2 protein; trospium chloride results in decreased activity of SLCO1A2 protein alternative form
CTD PMID:25466967 NCBI chr 4:174,710,004...174,764,810
Ensembl chr 4:174,710,004...175,254,573
JBrowse link
G Slco1b2 solute carrier organic anion transporter family member 1B2 decreases activity ISO trospium chloride results in decreased activity of SLCO1B3 protein CTD PMID:25466967 NCBI chr 4:174,551,463...174,619,988
Ensembl chr 4:174,551,480...174,619,981
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19795
    chemical entity 19795
      molecular entity 19794
        ion 16248
          organic ion 9164
            organic cation 8097
              quaternary ammonium ion 5115
                trospium 5
                  trospium chloride 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19614
                        carbon atom 19604
                          organic molecular entity 19604
                            organic group 18713
                              organic divalent group 18697
                                organodiyl group 18697
                                  carbonyl group 18646
                                    carbonyl compound 18646
                                      carboxylic ester 15881
                                        trospium 5
                                          trospium chloride 5
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