Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:16822 - choline sulfate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
choline sulfate
ChEBI ID
CHEBI:16822
Definition
An ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:13987, CHEBI:3669, CHEBI:23215
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formulae
C5H13NO4S
C5H13NO4S
Net Charge
0
Average Mass
183.22600
Monoisotopic Mass
183.05653
InChI
InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3
InChIKey
WXCQAWGXWVRCGP-UHFFFAOYSA-N
SMILES
C[N+](C)(C)CCOS([O-])(=O)=O
ChEBI Ontology
Outgoing
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
choline hydrogen sulfate (
CHEBI:52859
)
is conjugate acid of
choline sulfate (
CHEBI:16822
)
IUPAC Name
2-(trimethylammonio)ethyl sulfate
Synonyms
Sources
Choline sulfate
KEGG COMPOUND
choline sulfate
UniProt
choline sulfate betaine
ChEBI
Manual Xrefs
Databases
C00001530
KNApSAcK
C00919
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
3905491
Reaxys Registry Number
Reaxys
4858-96-2
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
13584416
PubMed citation
Europe PMC
13718099
PubMed citation
Europe PMC
16655967
PubMed citation
Europe PMC
17779079
PubMed citation
Europe PMC
7397169
PubMed citation
Europe PMC
871964
PubMed citation
Europe PMC
Last Modified
02 April 2015