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CHEBI:41055 - butyrylthiocholine

ChEBI IDCHEBI:41055
ChEBI Namebutyrylthiocholine
Stars
DefinitionA 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.
Last Modified3 July 2015
DownloadsMolfile
FormulaC9H20NOS
Net Charge+1
Average Mass190.332
Monoisotopic Mass190.12601
SMILESCCCC(=O)SCC[N+](C)(C)C
InChIInChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyAWBGQVBMGBZGLS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
butyrylthiocholine (CHEBI:41055) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
2-(butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium
Synonyms  Source
butanoylthiocholineChEBI
S-butanoylthiocholineChEBI
S-butyrylthiocholineChEBI
UniProt Name  Source
butyrylthiocholineUniProt
Manual XrefsDatabases
BCHPDBeChem
DB04250DrugBank
Registry NumbersSources
Reaxys:1777055Reaxys
CAS:4555-00-4ChemIDplus
Citations