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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 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
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 1:48,273,639...48,300,645
Ensembl chr 1:48,273,611...48,300,655
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
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 4:175,969,549...176,026,227
Ensembl chr 4:175,969,549...176,026,163
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 4:175,814,118...175,881,775
Ensembl chr 4:175,814,118...175,881,768
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19770
      molecular entity 19768
        ion 15934
          organic ion 8447
            organic cation 7301
              quaternary ammonium ion 5087
                trospium 5
                  trospium chloride 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      carboxylic ester 15492
                                        trospium 5
                                          trospium chloride 5
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