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CHEBI:16457 - S,S-dimethyl-β-propiothetin

ChEBI IDCHEBI:16457
ChEBI NameS,S-dimethyl-β-propiothetin
Stars
ASCII NameS,S-dimethyl-beta-propiothetin
DefinitionA sulfonium betaine obtained by deprotonation of the carboxy group of 3-dimethylsulfoniopropionic acid.
Secondary ChEBI IDsCHEBI:8926, CHEBI:12752, CHEBI:22008
Last Modified1 June 2015
DownloadsMolfile
FormulaC5H10O2S
Net Charge0
Average Mass134.200
Monoisotopic Mass134.04015
SMILESC[S+](C)CCC(=O)[O-]
InChIInChI=1S/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3
InChIKeyDFPOZTRSOAQFIK-UHFFFAOYSA-N
Roles Classification
Biological Roles:
osmolyte  A solute used by a cell under water stress to maintain cell volume.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
S,S-dimethyl-β-propiothetin (CHEBI:16457) has role marine metabolite (CHEBI:76507)
S,S-dimethyl-β-propiothetin (CHEBI:16457) has role osmolyte (CHEBI:25728)
S,S-dimethyl-β-propiothetin (CHEBI:16457) is a sulfonium betaine (CHEBI:35282)
IUPAC Name 
3-(dimethylsulfonio)propanoate
Synonyms  Source
S,S-Dimethyl-beta-propiothetinKEGG COMPOUND
S-Dimethylsulfonium propionic acidKEGG COMPOUND
DimethylpropiothetinKEGG COMPOUND
DMPTKEGG COMPOUND
DMSPKEGG COMPOUND
dimethyl-β-propiothetinChemIDplus
UniProt Name  Source
S,S-dimethyl-β-propiothetinUniProt
Manual XrefsDatabases
C04022KEGG COMPOUND
SS-DIMETHYL-BETA-PROPIOTHETINMetaCyc
C00001355KNApSAcK
Registry NumbersSources
Reaxys:3934014Reaxys
CAS:7314-30-9KEGG COMPOUND
CAS:7314-30-9ChemIDplus
Citations