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CHEBI:16822 - choline sulfate

ChEBI IDCHEBI:16822
ChEBI Namecholine sulfate
Stars
DefinitionAn ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group.
Secondary ChEBI IDsCHEBI:3669, CHEBI:13987, CHEBI:23215
Last Modified2 April 2015
DownloadsMolfile
FormulaC5H13NO4S
Net Charge0
Average Mass183.229
Monoisotopic Mass183.05653
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
InChIKeyWXCQAWGXWVRCGP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
choline sulfate (CHEBI:16822) is a ammonium betaine (CHEBI:35284)
choline sulfate (CHEBI:16822) is a choline sulfates (CHEBI:23216)
choline sulfate (CHEBI:16822) is conjugate base of choline hydrogen sulfate (CHEBI:52859)
Incoming Relation(s)
choline hydrogen sulfate (CHEBI:52859) is conjugate acid of choline sulfate (CHEBI:16822)
IUPAC Name 
2-(trimethylammonio)ethyl sulfate
Synonyms  Source
Choline sulfateKEGG COMPOUND
choline sulfate betaineChEBI
UniProt Name  Source
choline sulfateUniProt
Manual XrefsDatabases
C00919KEGG COMPOUND
C00919KEGG COMPOUND
C00001530KNApSAcK
Registry NumbersSources
Reaxys:3905491Reaxys
CAS:4858-96-2KEGG COMPOUND
Citations