2MeSATP

Ligand id: 1711

Name: 2MeSATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 9
Topological polar surface area 333.86
Molecular weight 552.98
XLogP -5.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
2-MeSATP | 2-methylthio-adenosine-5'-triphosphate | 2-methylthio-ATP
Database Links
CAS Registry No. 43170-89-4 (source: Scifinder)
ChEMBL Ligand CHEMBL336208
PubChem CID 5310983
RCSB PDB Ligand 6AT
Search Google for chemical match using the InChIKey XNOBOKJVOTYSJV-KQYNXXCUSA-N
Search Google for chemicals with the same backbone XNOBOKJVOTYSJV
Search UniChem for chemical match using the InChIKey XNOBOKJVOTYSJV-KQYNXXCUSA-N
Search UniChem for chemicals with the same backbone XNOBOKJVOTYSJV