CHEBI:41055 - butyrylthiocholine

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ChEBI Name butyrylthiocholine
ChEBI ID CHEBI:41055
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H20NOS
Net Charge +1
Average Mass 190.32600
Monoisotopic Mass 190.12601
InChI 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
SMILES CCCC(=O)SCC[N+](C)(C)C
ChEBI Ontology
Outgoing butyrylthiocholine (CHEBI:41055) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name
2-(butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium
Synonyms Sources
butanoylthiocholine ChEBI
butyrylthiocholine UniProt
S-butanoylthiocholine ChEBI
S-butyrylthiocholine ChEBI
Manual Xrefs Databases
BCH PDBeChem
DB04250 DrugBank
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Registry Numbers Types Sources
1777055 Reaxys Registry Number Reaxys
4555-00-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25450746 PubMed citation Europe PMC
25486543 PubMed citation Europe PMC
Last Modified
03 July 2015