S-adenosyl methionine   Click here for help

GtoPdb Ligand ID: 4786

Synonyms: AdoMet | S-adenosyl-L-methionine | S-adenosylmethionine | SAM-e | SAMe
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 182.63
Molecular weight 399.15
XLogP -2.99
No. Lipinski's rules broken 0
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Canonical SMILES C[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)CCC(C(=O)O)N
Isomeric SMILES C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N
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)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5479 ademetionine
Synonyms Click here for help
AdoMet | S-adenosyl-L-methionine | S-adenosylmethionine | SAM-e | SAMe
Database Links Click here for help
CAS Registry No. 29908-03-0 (source: Scifinder)
ChEMBL Ligand CHEMBL224120
DrugBank Ligand DB00118
GtoPdb PubChem SID 178101488
PubChem CID 34756
Search Google for chemical match using the InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-O
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Search PubMed clinical trials ademetionine
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UniChem Compound Search for chemical match using the InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-O
UniChem Connectivity Search for chemical match using the InChIKey MEFKEPWMEQBLKI-AIRLBKTGSA-O
Wikipedia S-Adenosylmethionine