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CHEBI:16471 - (dimethylsulfonio)acetate

ChEBI IDCHEBI:16471
ChEBI Name(dimethylsulfonio)acetate
Stars
Secondary ChEBI IDsCHEBI:14176, CHEBI:23817
Last Modified16 May 2017
DownloadsMolfile
FormulaC4H8O2S
Net Charge0
Average Mass120.173
Monoisotopic Mass120.02450
SMILESC[S+](C)CC(=O)[O-]
InChIInChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3
InChIKeyPSBDWGZCVUAZQS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(dimethylsulfonio)acetate (CHEBI:16471) is a sulfonium betaine (CHEBI:35282)
(dimethylsulfonio)acetate (CHEBI:16471) is conjugate base of (carboxymethyl)(dimethyl)sulfonium (CHEBI:4623)
Incoming Relation(s)
(carboxymethyl)(dimethyl)sulfonium (CHEBI:4623) is conjugate acid of (dimethylsulfonio)acetate (CHEBI:16471)
IUPAC Name 
(dimethylsulfonio)acetate
Synonym  Source
sulfobetaineChemIDplus
UniProt Name  Source
dimethylsulfonioacetateUniProt
Registry NumbersSources
Beilstein:1905971Beilstein
CAS:4727-41-7ChemIDplus