MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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S,S-dimethyl-beta-propiothetin

	Properties	Image
MNX_ID	MNXM2864
reference	chebi:16457
formula	C₅H₁₀O₂S
global charge	0
mol weight	134.2
InChIKey	DFPOZTRSOAQFIK-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3
SMILES	C[S+](C)CCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3
SMILES (mnx)	[CH3:1][S+:8]([CH3:2])[CH2:4][CH2:3][C:5](=[O:6])[O-:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16457 chebi:16457 DFPOZTRSOAQFIK-UHFFFAOYSA-N	S,S-dimethyl-beta-propiothetin 3-(dimethylsulfonio)propanoate 3-dimethylsulfoniopropionate DMPT DMSP Dimethylpropiothetin Dimethylsulfoniopropionate S,S-Dimethyl-beta-propiothetin S-Dimethylsulfonium propionic acid beta-dimethylsulfoniopropionate dimethyl-beta-propiothetin
CHEBI:230554 chebi:230554 DFPOZTRSOAQFIK-UHFFFAOYSA-O	(2-carboxyethyl)(dimethyl)sulfonium 2-carboxyethyl(dimethyl)sulanium
seed.compound:cpd02491 seedM:cpd02491 DFPOZTRSOAQFIK-UHFFFAOYSA-N	DMSP DMPT Dimethylpropiothetin S,S-Dimethyl-beta-propiothetin S,S-dimethyl-beta-propiothetin S-Dimethylsulfonium propionic acid S-dimethylsulfonium propionic acid dimethylpropiothetin dimethylsulfoniopropanoate dimethylsulfoniopropionate
hmdb:HMDB0251405 DFPOZTRSOAQFIK-UHFFFAOYSA-N	Dimethylpropiothetin (2-Carboxyethyl)dimethylsulfonium chloride 3-(dimethylsulfaniumyl)propanoate 3-Dimethylsulfoniopropionate 3-Dimethylsulfoniopropionic acid 3-Dimethylsulphoniopropionate 3-Dimethylsulphoniopropionic acid DMPT DMSP Dimethyl-b-propiothetin Dimethyl-beta-propiothetin Dimethyl-beta-propiothetin chloride Dimethyl-propiothetin Dimethylpropiothetin chloride Dimethylpropiothetin hydrochloride Dimethylsulfoniopropionate chloride Dimethylsulfoniopropionic acid Dimethylsulphoniopropionate Dimethylsulphoniopropionic acid S,S-Dimethyl-beta-propiothetin S-Dimethylsulfonium propionate S-Dimethylsulfonium propionic acid S-Dimethylsulphonium propionate S-Dimethylsulphonium propionic acid Sulfonium, (2-carboxyethyl)dimethyl-, chloride (1:1) b-Dimethylsulfoniopropionate b-Dimethylsulfoniopropionic acid b-Dimethylsulphoniopropionate b-Dimethylsulphoniopropionic acid beta-DMSP beta-Dimethylsulfoniopropionate beta-Dimethylsulfoniopropionic acid beta-Dimethylsulphoniopropionate beta-Dimethylsulphoniopropionic acid beta-dimethylsulfoniopropionate beta-dimethylsulfoniopropionic acid beta-dimethylsulphoniopropionate beta-dimethylsulphoniopropionic acid dimethylsulfoniopropionate
kegg.compound:C04022 keggC:C04022 DFPOZTRSOAQFIK-UHFFFAOYSA-N	S,S-Dimethyl-beta-propiothetin DMPT DMSP Dimethylpropiothetin S-Dimethylsulfonium propionic acid
metacyc.compound:SS-DIMETHYL-BETA-PROPIOTHETIN metacycM:SS-DIMETHYL-BETA-PROPIOTHETIN DFPOZTRSOAQFIK-UHFFFAOYSA-N	dimethylsulfoniopropanoate 3-(dimethylsulfaniumyl)propanoate DMPT DMSP S,S-dimethyl-beta-propiothetin S-dimethylsulfonium propionic acid dimethylpropiothetin dimethylsulfoniopropionate
chebi:12752 chebi:22008 chebi:8926 keggC:M_C04022 seedM:M_cpd02491	secondary/obsolete/fantasy identifier