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L-Methionine Sulfoxide

CAT: 0572-TRC-M260450-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M260450-1GSize:1 g
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CAS Number
3226-65-1
Synonyms
L-Methionine S-oxide; Butanoic acid, 2-amino-4-(methylsulfinyl)-, (2S)- (9CI); Butyric acid, 2-amino-4-(methylsulfinyl)-, L- (8CI); 3: PN: WO2011158590 PAGE: 34 claimed protein; L-Methionine sulfoxide; Methionine sulfoxide; Methionine Impurity A
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CS(=O)CC[C@H](N)C(=O)O
Molecular Formula
C5 H11 N O3 S
Molecular Weight
165.21
InChI
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
Additionnal Information
IUPAC name: (2S)-2-amino-4-methylsulfinylbutanoic acid
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Methionine Sulfoxide

L-methionine S-oxide is a methionine S-oxide. It has a role as an Escherichia coli metabolite.

CAS Number3226-65-1
PubChem CID158980
IUPAC Name(2S)-2-amino-4-methylsulfinylbutanoic acid
Molecular FormulaC5H11NO3S
Molecular Weight165.21
XLogP-4.1
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity148
SMILES
CS(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
InChIKey
QEFRNWWLZKMPFJ-YGVKFDHGSA-N
Chemical Structure
2D Structure
2D structure of Methionine Sulfoxide
CAS: 3226-65-1
CID: 158980
Formula: C5H11NO3S
MW: 165.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.21
XLogP3-4.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass165.04596439
Monoisotopic Mass165.04596439
Topological Polar Surface Area99.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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