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DL-Methionine Sulfoxide

CAT: 1596-AR-M02578-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02578-01Size:10 Units
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CAS Number
62697-73-8
Synonyms
Dl-methioninesulfoxide; 2-Amino-4- (methylsulfinyl) butanoic acid; Methionine, S-oxide; Uethionine, S-oxide; DL-Methionine sulfoxide; methionine sulfoxide
Molecular Formula
C5H11NO3S
Molecular Weight
165.21
API Name
Methionine

Chemical Information

Methionine sulfoxide, DL-

Methionine S-oxide is the S-oxide derivative of methionine. It is a biomarker of oxidative stress. It has a role as a biomarker and a human metabolite.

CAS Number62697-73-8
PubChem CID847
IUPAC Name2-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)CCC(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)
InChIKey
QEFRNWWLZKMPFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methionine sulfoxide, DL-
CAS: 62697-73-8
CID: 847
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 Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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