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

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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
Download Molfile XML SDF
Formula C5H10O2S
Net Charge 0
Average Mass 134.19770
Monoisotopic Mass 134.040
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.
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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
Database Links Databases
C00001355 KNApSAcK
C04022 KEGG COMPOUND
SS-DIMETHYL-BETA-PROPIOTHETIN MetaCyc
View more database links
Registry Numbers Types Sources
3934014 Reaxys Registry Number Reaxys
3934014 Beilstein Registry Number Beilstein
7314-30-9 CAS Registry Number KEGG COMPOUND
7314-30-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
01 June 2015