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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:butyrylthiocholine
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Accession:CHEBI:41055 term browser browse the term
Definition:A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.
Synonyms:exact_synonym: 2-(butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium
 related_synonym: Formula=C9H20NOS;   InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1;   InChIKey=AWBGQVBMGBZGLS-UHFFFAOYSA-N;   S-butanoylthiocholine;   S-butyrylthiocholine;   SMILES=CCCC(=O)SCC[N+](C)(C)C;   butanoylthiocholine
 xref: CAS:4555-00-4;   DrugBank:DB04250
 xref_mesh: MESH:D002092
 xref: PDBeChem:BCH;   PMID:25450746;   PMID:25486543;   Reaxys:1777055


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butyrylthiocholine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase increases hydrolysis
multiple interactions
ISO ACHE protein results in increased hydrolysis of Butyrylthiocholine
huperzine A inhibits the reaction [ACHE protein results in increased hydrolysis of Butyrylthiocholine]
CTD PMID:22407886 NCBI chr12:22,472,358...22,477,052
Ensembl chr12:22,472,358...22,478,753
JBrowse link
G Bche butyrylcholinesterase multiple interactions
increases hydrolysis
increases metabolic processing
ISO
EXP
[BCHE protein results in increased metabolism of Butyrylthiocholine] which results in increased chemical synthesis of Thiocholine; butyrylcholine inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]; Cholinesterase Inhibitors inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]; Dibucaine inhibits the reaction [BCHE protein results in increased metabolism of Butyrylthiocholine]; Echothiophate Iodide inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]; Isoflurophate inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]; N,N'-monomethylenebis(pyridiniumaldoxime) inhibits the reaction [Sarin analog inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]]; pralidoxime inhibits the reaction [Isoflurophate inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]]; pralidoxime inhibits the reaction [Sarin analog inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]]; profenamine inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]; Sarin analog inhibits the reaction [BCHE protein results in increased hydrolysis of Butyrylthiocholine]; Sodium Fluoride inhibits the reaction [BCHE protein results in increased metabolism of Butyrylthiocholine] CTD PMID:19699221 PMID:21802514 PMID:22407886 PMID:22922115 PMID:22940283 PMID:23123248 PMID:25054547 PMID:27109752 PMID:31247192 PMID:32278739 NCBI chr 2:171,104,476...171,196,186
Ensembl chr 2:171,100,140...171,196,395
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      molecular entity 19770
        ion 15945
          organic ion 8455
            organic cation 7309
              quaternary ammonium ion 5098
                butyrylthiocholine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    main group molecular entity 19658
                      s-block molecular entity 19423
                        hydrogen molecular entity 19416
                          hydrides 18755
                            inorganic hydride 17460
                              pnictogen hydride 17435
                                nitrogen hydride 17281
                                  ammonium 8216
                                    ammonium ion derivative 8212
                                      quaternary ammonium ion 5098
                                        butyrylthiocholine 2
paths to the root