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:61909 - ethanesulfonate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
ethanesulfonate
ChEBI ID
CHEBI:61909
Definition
An alkanesulfonate in which the alkyl group directly linked to the sulfonate functionality is ethyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Eugeni Belda
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C2H5O3S
Net Charge
-1
Average Mass
109.125
Monoisotopic Mass
108.99649
InChI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)/p-1
InChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-M
SMILES
CCS([O-])(=O)=O
Roles Classification
Biological Role
(s):
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via
1,1-diunsubstituted alkanesulfonate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ethanesulfonate (
CHEBI:61909
)
is a
1,1-diunsubstituted alkanesulfonate (
CHEBI:62081
)
ethanesulfonate (
CHEBI:61909
)
is conjugate base of
ethanesulfonic acid (
CHEBI:42465
)
Incoming
ethanesulfonic acid (
CHEBI:42465
)
is conjugate acid of
ethanesulfonate (
CHEBI:61909
)
IUPAC Name
ethanesulfonate
Synonyms
Sources
1-ethanesulfonate
ChEBI
2-ethanesulfonate
ChEBI
Äthansulfonat
ChEBI
ethane sulphonate
ChEBI
ethane-1-sulfonate
UniProt
ethanesulfonate anion
ChEBI
ethanesulfonic acid anion
ChEBI
ethanesulphonate
ChEBI
ethylsulfonate
ChEBI
ethylsulphonate
ChEBI
Manual Xref
Database
CPD-10434
MetaCyc
View more database links
Registry Number
Type
Source
1856042
Reaxys Registry Number
Reaxys
Last Modified
07 April 2017