S-adenosylhomocysteine

Ligand id: 5265

Name: S-adenosylhomocysteine

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 207.93
Molecular weight 384.12
XLogP -3.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
Synonyms
S-adenosyl-L-homocysteine
Database Links
CAS Registry No. 979-92-0
ChEBI CHEBI:16680
ChEMBL Ligand CHEMBL418052
DrugBank Ligand DB01752
PubChem CID 439155
RCSB PDB Ligand SAH
Search Google for chemical match using the InChIKey ZJUKTBDSGOFHSH-WFMPWKQPSA-N
Search Google for chemicals with the same backbone ZJUKTBDSGOFHSH
Search UniChem for chemical match using the InChIKey ZJUKTBDSGOFHSH-WFMPWKQPSA-N
Search UniChem for chemicals with the same backbone ZJUKTBDSGOFHSH
Wikipedia S-adenosylhomocysteine