CHEBI:52859 - choline hydrogen sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name choline hydrogen sulfate
ChEBI ID CHEBI:52859
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000066156307
Download Molfile XML SDF
Formula C5H14NO4S
Net Charge +1
Average Mass 184.23400
Monoisotopic Mass 184.06381
InChI InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3/p+1
InChIKey WXCQAWGXWVRCGP-UHFFFAOYSA-O
SMILES C[N+](C)(C)CCOS(O)(=O)=O
ChEBI Ontology
Outgoing 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 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 sulfate ChEBI
Registry Numbers Types Sources
16655-25-7 CAS Registry Number ChemIDplus
4133268 Beilstein Registry Number Beilstein
Last Modified
08 September 2011