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Adenosylselenomethionine

CAT: 0013-GTR19195914-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195914-01Size:25 mg
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Description
Adenosylselenomethionine is a key cofactor involved in the metabolic processing of selenomethionine. It is utilized in biochemical research to study selenium metabolism and enzyme mechanisms in both cellular (in vitro) and organismal (in vivo) experimental systems.
CAS Number
5134-38-3
Smiles
C[Se+] (CC[C@H] (N) C ([O-]) =O) C[C@H]1O[C@H] ([C@H] (O) [C@@H]1O) n1cnc2c (N) ncnc12
Molecular Formula
C15H22N6O5Se
Molecular Weight
445.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adenosylselenomethionine

involved in metabolism of selenomethionine

CAS Number5134-38-3
PubChem CID168990
IUPAC Name2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylselaniumyl]butanoate
Molecular FormulaC15H22N6O5Se
Molecular Weight445.3
Topological Polar Surface Area185
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity527
SMILES
C[Se+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)
InChIKey
GGJFWMOVUFBSIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adenosylselenomethionine
CAS: 5134-38-3
CID: 168990
Formula: C15H22N6O5Se
MW: 445.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass446.08169
Monoisotopic Mass446.08169
Topological Polar Surface Area185 Ų
Heavy Atom Count27
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T29654-01Adenosylselenomethionine

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