General
Preferred name
SAMe
Synonyms
S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt ()
S-(5'-Adenosyl)-L-methionine tosylate ()
S-Adenosyl-L-methionine (tosylate) ()
S-Adenosyl methionine (tosylate) ()
Ademetionine (tosylate) ()
AdoMet (tosylate) ()
S-(5'-Adenosyl)-L-methionine (tosylate) ()
P&D ID
PD057922
CAS
52248-03-0
97540-22-2
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
570.16
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
3
cLogP
-1.02
TPSA
239.83
Fraction CSP3
0.45
Chiral centers
6.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
