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3- (Methylthio) propionic acid

CAT: 1410-M20021-01Size: 1 EachDry Ice: NoHazardous: No
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Description
3-methylthiopropionate is one of the metabolites of methionine (especially of D-methionine) . Cultures of Streptomyces lincolnensis accumulated 3-methylthioacrylic acid in amounts directly related to the concentration of methionine in the medium. The first intermediate in the pathway may be the keto acid which is then oxidatively decarboxylated to 3-methylthiopropionic acid.
CAS Number
646-01-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
120.17
Molecular Formula
C4H8O2S
Notes
Research use only, not for human use.
Receptor
Others

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...
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