Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:42:51 UTC
Update Date2022-08-31 18:22:48 UTC
Metabolite IDMMDBc0031649
Metabolite Identification
Common NameButanesulfonate
DescriptionButanesulfonate is a member of the chemical class known as Sulfonic Acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R = H).
Structure
Synonyms
ValueSource
1-Butanesulfonic acid (1-)ChEBI
Butan-1-sulfonatChEBI
Butane-1-sulfonate(1-)ChEBI
Butane-1-sulfonic acid (1-)ChEBI
Butane-1-sulfonic acid anionChEBI
N-Butyl-1-sulfonate (1-)ChEBI
N-ButylsulfonatanionChEBI
1-Butanesulfonate (1-)Generator
1-Butanesulphonate (1-)Generator
1-Butanesulphonic acid (1-)Generator
Butan-1-sulphonatGenerator
Butane-1-sulfonic acid(1-)Generator
Butane-1-sulphonate(1-)Generator
Butane-1-sulphonic acid(1-)Generator
Butane-1-sulfonate (1-)Generator
Butane-1-sulphonate (1-)Generator
Butane-1-sulphonic acid (1-)Generator
Butane-1-sulfonate anionGenerator
Butane-1-sulphonate anionGenerator
Butane-1-sulphonic acid anionGenerator
N-Butyl-1-sulfonic acid (1-)Generator
N-Butyl-1-sulphonate (1-)Generator
N-Butyl-1-sulphonic acid (1-)Generator
N-ButylsulphonatanionGenerator
1-Butanesulfonic acidGenerator
1-ButanesulphonateGenerator
1-Butanesulphonic acidGenerator
1-ButanesulfonateChEBI
Butanesulfonic acidGenerator
ButanesulphonateGenerator
Butanesulphonic acidGenerator
Molecular FormulaC4H9O3S
Average Mass137.177
Monoisotopic Mass137.027239844
IUPAC Namebutane-1-sulfonate
Traditional Name1-butanesulfonate
CAS Registry NumberNot Available
SMILES
CCCCS([O-])(=O)=O
InChI Identifier
InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)/p-1
InChI KeyQDHFHIQKOVNCNC-UHFFFAOYSA-M