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3- (Methylthio) propionic acid

CAT: 0013-GTR19168746-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168746-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3- (Methylthio) propionic acid is a metabolite of methionine, notably D-methionine, and is implicated in microbial pathways such as those in Streptomyces lincolnensis. This compound serves as a research biochemical for studying sulfur amino acid metabolism in both in vitro enzymatic assays and in vivo microbial fermentation studies.
CAS Number
646-01-5
Product Name Alternative
Inhibit, Inhibitor, EndogenousMetabolite, Endogenous Metabolite, Fungal, 4-Thiapentanoic acid, 3-Methylsulfanylpropionic acid, 3-Methylthiopropionate, 3 (Methylthio) propionic acid, 3 (Methylthio) propionic acid, 3- (Methylthio) propionic acid
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
≥95% (May vary between batches)
Solubility
H2O:25 mg/mL (208.04 mM)
Smiles
CSCCC (O) =O
Molecular Formula
C4H8O2S
Molecular Weight
120.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Methylthio)propanoic acid

3-(methylthio)propionic acid is a thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. It has a role as a phytotoxin. It is functionally related to a propionic acid. It is a conjugate acid of a 3-(methylthio)propionate.

CAS Number646-01-5
PubChem CID563
IUPAC Name3-methylsulfanylpropanoic acid
Molecular FormulaC4H8O2S
Molecular Weight120.17
XLogP0.4
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
CSCCC(=O)O
InChI
InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
CAOMCZAIALVUPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Methylthio)propanoic acid
CAS: 646-01-5
CID: 563
Formula: C4H8O2S
MW: 120.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.17
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass120.02450067
Monoisotopic Mass120.02450067
Topological Polar Surface Area62.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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