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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:4-(diethylamino)but-2-yn-1-ol
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Accession:CHEBI:144551 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of cyclohexyl(hydroxy)phenylacetic acid with the hydroxy group of 4-(diethylamino)but-2-yn-1-ol.
Synonyms:related_synonym: Formula=C22H31NO3;   InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;   InChIKey=XIQVNETUBQGFHX-UHFFFAOYSA-N;   SMILES=C1(CCCCC1)C(C2=CC=CC=C2)(C(OCC#CCN(CC)CC)=O)O;   alpha-cyclohexyl-alpha-hydroxybenzeneacetic acid 4-(diethylamino)-2-butynyl ester


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oxybutynin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO oxybutynin results in decreased activity of ABCB11 protein CTD PMID:20829430, PMID:28437613 NCBI chr 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
JBrowse link
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO oxybutynin results in decreased activity of ABCB4 protein CTD PMID:28437613 NCBI chr 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Ces2h carboxylesterase 2H increases hydrolysis ISO CES2 protein results in increased hydrolysis of oxybutynin CTD PMID:9300133 NCBI chr19:37,052,555...37,067,176
Ensembl chr19:37,052,556...37,067,156
JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2 multiple interactions ISO oxybutynin binds to and results in decreased activity of CHRM2 protein CTD PMID:15140916 NCBI chr 4:64,089,028...64,091,090
Ensembl chr 4:64,088,900...64,091,090
JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3 multiple interactions ISO oxybutynin binds to and results in decreased activity of CHRM3 protein CTD PMID:15140916 NCBI chr17:63,990,599...64,463,222
Ensembl chr17:63,990,599...63,994,169
JBrowse link
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 decreases activity ISO oxybutynin results in decreased activity of CYP2C8 protein CTD PMID:15601807 NCBI chr 1:147,236,480...147,307,988 JBrowse link
G Drd2 dopamine receptor D2 affects binding ISO oxybutynin binds to DRD2 protein CTD PMID:10888308 NCBI chr 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit decreases expression EXP oxybutynin results in decreased expression of JUN mRNA CTD PMID:10458442 NCBI chr 5:114,011,184...114,014,277
Ensembl chr 5:114,011,189...114,014,277
JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO oxybutynin inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        refrigerant 17418
          ammonia 16940
            organic amino compound 16939
              tertiary amino compound 8630
                4-(diethylamino)but-2-yn-1-ol 9
                  (R)-oxybutynin + 9
                  esoxybutynin + 9
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        tertiary amino compound 8630
                                          4-(diethylamino)but-2-yn-1-ol 9
                                            (R)-oxybutynin + 9
                                            esoxybutynin + 9
paths to the root

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