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:57853 - hypotaurine zwitterion
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
hypotaurine zwitterion
ChEBI ID
CHEBI:57853
Definition
Zwitterionic form of hypotaurine arising from migration of a proton from the sulfonate group to the amino group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C2H7NO2S
Net Charge
0
Average Mass
109.14700
Monoisotopic Mass
109.01975
InChI
InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
InChIKey
VVIUBCNYACGLLV-UHFFFAOYSA-N
SMILES
[NH3+]CCS([O-])=O
ChEBI Ontology
Outgoing
hypotaurine zwitterion (
CHEBI:57853
)
is a
zwitterion (
CHEBI:27369
)
hypotaurine zwitterion (
CHEBI:57853
)
is conjugate acid of
hypotaurine(1−) (
CHEBI:140741
)
hypotaurine zwitterion (
CHEBI:57853
)
is tautomer of
hypotaurine (
CHEBI:16668
)
Incoming
hypotaurine(1−) (
CHEBI:140741
)
is conjugate base of
hypotaurine zwitterion (
CHEBI:57853
)
hypotaurine (
CHEBI:16668
)
is tautomer of
hypotaurine zwitterion (
CHEBI:57853
)
IUPAC Name
2-azaniumylethanesulfinate
Synonyms
Sources
2-ammonioethanesulfinate
ChEBI
2-azaniumylethane-1-sulfinate
ChEBI
2-mmonioethane-1-sulfinate
ChEBI
hypotaurine
UniProt
Last Modified
02 April 2019