CHEBI:16471 - (dimethylsulfonio)acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (dimethylsulfonio)acetate
ChEBI ID CHEBI:16471
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14176, CHEBI:23817
Supplier Information
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Formula C4H8O2S
Net Charge 0
Average Mass 120.17112
Monoisotopic Mass 120.02450
InChI InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3
InChIKey PSBDWGZCVUAZQS-UHFFFAOYSA-N
SMILES C[S+](C)CC([O-])=O
ChEBI Ontology
Outgoing (dimethylsulfonio)acetate (CHEBI:16471) is a sulfonium betaine (CHEBI:35282)
(dimethylsulfonio)acetate (CHEBI:16471) is conjugate base of (carboxymethyl)(dimethyl)sulfonium (CHEBI:4623)
Incoming (carboxymethyl)(dimethyl)sulfonium (CHEBI:4623) is conjugate acid of (dimethylsulfonio)acetate (CHEBI:16471)
IUPAC Name
(dimethylsulfonio)acetate
Synonyms Sources
dimethylsulfonioacetate UniProt
sulfobetaine ChemIDplus
Registry Numbers Types Sources
1905971 Beilstein Registry Number Beilstein
4727-41-7 CAS Registry Number ChemIDplus
Last Modified
16 May 2017