S-adenosyl methionine

Ligand id: 4786

Name: S-adenosyl methionine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 182.63
Molecular weight 399.15
XLogP -3.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium
International Nonproprietary Names
INN number INN
5479 ademetionine
Synonyms
AdoMet | S-adenosylmethionine | SAM-e | SAMe
Database Links
CAS Registry No. 29908-03-0 (source: Scifinder)
ChEBI CHEBI:15414
ChEMBL Ligand CHEMBL224120
DrugBank Ligand DB00118
PubChem CID 34756
Search Google for chemical match using the InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-O
Search Google for chemicals with the same backbone MEFKEPWMEQBLKI
Search PubMed clinical trials ademetionine
Search PubMed titles ademetionine
Search PubMed titles/abstracts ademetionine
Search UniChem for chemical match using the InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-O
Search UniChem for chemicals with the same backbone MEFKEPWMEQBLKI
Wikipedia S-Adenosylmethionine
Comments
This compound is sold as a nutritional supplement in the US and Canada and is approved as a prescription drug in some EU countries (approval date not available), where it is used to treat depression, liver disorders, fibromyalia and osteoarthritis.