S-adenosylmethionine
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
| Molecular Formula | C15H22N6O5S |
|---|---|
| Molecular Weight | 398.4 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 186.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13724 |
| Heavy Atoms | 27 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 29908-03-0 |
|---|---|
| SMILES | C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | MEFKEPWMEQBLKI-AIRLBKTGSA-N |
📖 Product Overview
S-adenosylmethionine (CAS: 29908-03-0) is a chemical compound with molecular formula C15H22N6O5S and molecular weight 398.4 g/mol. Its IUPAC systematic name is (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate.
MEFKEPWMEQBLKI-AIRLBKTGSA-N.
SMILES: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.
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