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1187-84-4 molecular structure
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(2R)-2-amino-3-(methylsulfanyl)propanoic acid

ChemBase ID: 1968
Molecular Formular: C4H9NO2S
Molecular Mass: 135.18476
Monoisotopic Mass: 135.03539953
SMILES and InChIs

SMILES:
CSC[C@H](N)C(=O)O
Canonical SMILES:
CSC[C@@H](C(=O)O)N
InChI:
InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey:
IDIDJDIHTAOVLG-VKHMYHEASA-N

Cite this record

CBID:1968 http://www.chembase.cn/molecule-1968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(methylsulfanyl)propanoic acid
IUPAC Traditional name
S-methylcysteine
Synonyms
SMLC
S-Methyl-L-cysteine
(R)-2-Amino-3-(methylmercapto)propionic acid
S-METHYL-L-CYSTEINE
H-Cys(Me)-OH
S-Methylcysteine
(R)-2-Amino-3-(methylthio)propanoic acid
CAS Number
1187-84-4
7728-98-5
EC Number
214-701-6
MDL Number
MFCD00002612
Beilstein Number
1721675
PubChem SID
160965423
24884749
46506571
24897098
PubChem CID
24417

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.4449296  H Acceptors
H Donor LogD (pH = 5.5) -2.404761 
LogD (pH = 7.4) -2.4116535  Log P -2.4047441 
Molar Refractivity 32.8746 cm3 Polarizability 13.242182 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -2.21  LOG S -0.31 
Solubility (Water) 6.58e+01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~240 °C (dec.) expand Show data source
239-240°C expand Show data source
Optical Rotation
[α]20/D -31±2°, c = 5% in H2O expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥99.0% (NT) expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
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Linear Formula
CH3SCH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215366 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02102316 external link
Crystalline
DrugBank - DB02216 external link
Drug information: experimental
Sigma Aldrich - M6626 external link
包装
5, 25, 100 g in glass bottle
Biochem/physiol Actions
S-Methyl-L-cysteine (SMLC) is a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA). SMLC is naturally present in garlic, cabbage, and turnips and has been studied as a theurapeutic for neurodegenerative diseases including Parkinson′s.1When used as a dietary supplement in the Drosphilia model of PD, SMLC increases the efficacy of the MRSA catalytic antioxidant system by providing additional substrate available leading to increased resistance to oxidative stress.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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