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S-Adenosyl-L-Methionine

CAT: 1299-RM-M201425-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M201425-01Size:10 mg
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CAS Number
29908-03-0
Synonyms
S-Adenosylmethionine; (2S) -2-amino-4- ((((2S,3S,4R,5R) -5- (6-amino-9H-purin-9-yl) -3,4-dihydroxytetrahydrofuran-2-yl) methyl) (methyl) sulfonio) butanoate
Molecular Formula
C15H22N6O5S
Molecular Weight
398.44
Target Alternative Name
Methionine
Product Name Synonym
S-Adenosylmethionine; (2S) -2-amino-4- ((((2S,3S,4R,5R) -5- (6-amino-9H-purin-9-yl) -3,4-dihydroxytetrahydrofuran-2-yl) methyl) (methyl) sulfonio) butanoate

Chemical Information

S-Adenosylmethionine

S-adenosyl-L-methioninate is a sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. It has a role as a human metabolite. It is functionally related to a L-methioninate. It is a conjugate base of a S-adenosyl-L-methionine.

CAS Number29908-03-0
PubChem CID34755
IUPAC Name(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
Molecular FormulaC15H22N6O5S
Molecular Weight398.4
XLogP-2.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity527
SMILES
C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C15H22N6O5S/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)/t7-,8+,10+,11+,14+,27?/m0/s1
InChIKey
MEFKEPWMEQBLKI-AIRLBKTGSA-N
Chemical Structure
2D Structure
2D structure of S-Adenosylmethionine
CAS: 29908-03-0
CID: 34755
Formula: C15H22N6O5S
MW: 398.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP3-2.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass398.13723900
Monoisotopic Mass398.13723900
Topological Polar Surface Area186 Ų
Heavy Atom Count27
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B0617S-01S-Adenosyl-L-methionine-d3
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MBS3848138-01S-Adenosyl-L-methionine iodide
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