ATP

Ligand id: 1713

Name: ATP

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Structure and Physico-chemical Properties

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 -5.92
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
GtoPdb PubChem SID 135651446
PubChem CID 5957
RCSB PDB Ligand ATP
Search Google for chemical match using the InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Search Google for chemicals with the same backbone ZKHQWZAMYRWXGA
Search UniChem for chemical match using the InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Search UniChem for chemicals with the same backbone ZKHQWZAMYRWXGA
Wikipedia Adenosine_triphosphate