phosphatidyl (3,4) inositol biphosphate

Ligand id: 2793

Name: phosphatidyl (3,4) inositol biphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 8
Rotatable bonds 42
Topological polar surface area 332
Molecular weight 970.46
XLogP 8.63
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Synonyms
D-myo-PI[3,4]P2 | P3,4I | phosphatidylinositol (3,4)-bisphosphate | PtdIns(3,4)P2
Database Links
CAS Registry No. 165883-85-2 (source: Scifinder)
PubChem CID 643960
Search Google for chemical match using the InChIKey HKWJHKSHEWVOSS-OMDJCSNQSA-N
Search Google for chemicals with the same backbone HKWJHKSHEWVOSS
Search UniChem for chemical match using the InChIKey HKWJHKSHEWVOSS-OMDJCSNQSA-N
Search UniChem for chemicals with the same backbone HKWJHKSHEWVOSS
Comments
A phospholipid component of cell membranes which is an important second messenger. Generation of phosphatidyl (3,4) inositol biphosphate at the cell membrane by class I PI kinases and SHIP phosphatases) activates a number of important cell signaling pathways.