S-ADENOSYL-L-METHIONINE

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Synonyms
Status
Molecule Category Free-form
UNII 7LP2MPO46S
EPA CompTox DTXSID40169160

Structure

InChI Key MEFKEPWMEQBLKI-YDBXVIPQSA-N
Smiles C[S+](CCC(N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N6O5S
Molecular Weight 398.45
AlogP -3.26
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 185.46
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL24991
FDA SRS 7LP2MPO46S
SureChEMBL SCHEMBL25176
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