ITP

Ligand id: 1743

Name: ITP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 302.51
Molecular weight 507.98
XLogP -4.19
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
inosine triphosphate
Database Links
CAS Registry No. 132-06-9 (source: Scifinder)
ChEBI CHEBI:16039
ChEMBL Ligand CHEMBL1233686
GtoPdb PubChem SID 135651496
PubChem CID 8583
RCSB PDB Ligand ITT
Search Google for chemical match using the InChIKey HAEJPQIATWHALX-KQYNXXCUSA-N
Search Google for chemicals with the same backbone HAEJPQIATWHALX
Search UniChem for chemical match using the InChIKey HAEJPQIATWHALX-KQYNXXCUSA-N
Search UniChem for chemicals with the same backbone HAEJPQIATWHALX