CHEBI:61911 - butane-1-sulfonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butane-1-sulfonate
ChEBI ID CHEBI:61911
Definition An alkanesulfonate in which the alkyl group directly linked to the sulfonate functionality is butyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C4H9O3S
Net Charge -1
Average Mass 137.17700
Monoisotopic Mass 137.02779
InChI InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)/p-1
InChIKey QDHFHIQKOVNCNC-UHFFFAOYSA-M
SMILES CCCCS([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 butane-1-sulfonate (CHEBI:61911) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081)
butane-1-sulfonate (CHEBI:61911) is conjugate base of butane-1-sulfonic acid (CHEBI:61958)
Incoming butane-1-sulfonic acid (CHEBI:61958) is conjugate acid of butane-1-sulfonate (CHEBI:61911)
Synonyms Sources
1-butanesulfonate ChEBI
1-butanesulfonic acid (1−) SUBMITTER
Butan-1-sulfonat ChEBI
butane-1-sulfonate UniProt
butane-1-sulfonate(1−) ChEBI
butane-1-sulfonic acid (1−) SUBMITTER
butane-1-sulfonic acid anion ChEBI
n-butyl-1-sulfonate (1−) SUBMITTER
n-Butylsulfonatanion ChEBI
Manual Xref Database
CPD-3744 MetaCyc
View more database links
Registry Number Type Source
3904079 Reaxys Registry Number Reaxys
Last Modified
07 April 2017