ATP

Ligand Id: 1713
Ligand name ATP

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 308.56
Molecular weight 507
XLogP -5.93
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-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
5'-ATP
adenosine 5' triphosphate
adenosine triphosphate
Database Links
BindingDB Ligand 2
CAS Registry No. 56-65-5
ChEBI CHEBI:15422
ChEMBL Ligand CHEMBL14249
DrugBank Ligand DB00171
Human Metabolome Database HMDB00538
PharmGKB Drug PA164743471
PubChem CID 5957
RCSB PDB Ligand ATP&sid=3HMN
Search Google for chemical match using the InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Search Google for chemicals with the same backbone ZKHQWZAMYRWXGA
Wikipedia Adenosine_triphosphate