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CHEBI:52859 - choline hydrogen sulfate

ChEBI IDCHEBI:52859
ChEBI Namecholine hydrogen sulfate
Stars
Last Modified8 September 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H14NO4S
Net Charge+1
Average Mass184.237
Monoisotopic Mass184.06381
SMILESC[N+](C)(C)CCOS(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3/p+1
InChIKeyWXCQAWGXWVRCGP-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
choline hydrogen sulfate (CHEBI:52859) is a choline sulfates (CHEBI:23216)
choline hydrogen sulfate (CHEBI:52859) is a quaternary ammonium ion (CHEBI:35267)
choline hydrogen sulfate (CHEBI:52859) is conjugate acid of choline sulfate (CHEBI:16822)
Incoming Relation(s)
choline sulfate (CHEBI:16822) is conjugate base of choline hydrogen sulfate (CHEBI:52859)
IUPAC Name 
N,N,N-trimethyl-2-(sulfooxy)ethanaminium
Synonym  Source
choline sulfateChEBI
Registry NumbersSources
Beilstein:4133268Beilstein
CAS:16655-25-7ChemIDplus