S,S-dimethyl-beta-propiothetin (CHEBI:16457)

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ChEBI Name	S,S-dimethyl-β-propiothetin

ChEBI ID	CHEBI:16457

ChEBI ASCII Name	S,S-dimethyl-beta-propiothetin

Definition	A sulfonium betaine obtained by deprotonation of the carboxy group of 3-dimethylsulfoniopropionic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:22008, CHEBI:8926, CHEBI:12752

Supplier Information	ZINC000008217609

Download	Molfile XML SDF

Formula

C5H10O2S

Net Charge

Average Mass

134.19770

Monoisotopic Mass

134.04015

InChI

InChI=1S/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3

InChIKey

DFPOZTRSOAQFIK-UHFFFAOYSA-N

SMILES

C[S+](C)CCC([O-])=O

Roles Classification
Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. osmolyte A solute used by a cell under water stress to maintain cell volume.

ChEBI Ontology
Outgoing	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	Sources
3-dimethylsulfoniopropionate	ChemIDplus
β-dimethylsulfoniopropionate	ChemIDplus
dimethyl-β-propiothetin	ChemIDplus
Dimethylpropiothetin	KEGG COMPOUND
Dimethylsulfoniopropionate	ChEBI
DMPT	KEGG COMPOUND
DMSP	KEGG COMPOUND
S,S-Dimethyl-beta-propiothetin	KEGG COMPOUND
S,S-dimethyl-β-propiothetin	UniProt
S-Dimethylsulfonium propionic acid	KEGG COMPOUND

Manual Xrefs	Databases
C00001355	KNApSAcK
C04022	KEGG COMPOUND
SS-DIMETHYL-BETA-PROPIOTHETIN	MetaCyc
View more database links

Citations

Last Modified

01 June 2015