Ins(3,4,5,6)P4

Ligand id: 4224

Name: Ins(3,4,5,6)P4

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 10
Rotatable bonds 8
Topological polar surface area 346.74
Molecular weight 499.93
XLogP -8.52
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
Synonyms
1D-myo-inositol 3,4,5,6-tetrakisphosphate
Database Links
CAS Registry No. 112791-61-4 (source: Scifinder)
ChEBI CHEBI:15844
ChEMBL Ligand CHEMBL23050
Human Metabolome Database HMDB03848
PubChem CID 121920
RCSB PDB Ligand 4MY
Search Google for chemical match using the InChIKey MRVYFOANPDTYBY-UZAAGFTCSA-N
Search Google for chemicals with the same backbone MRVYFOANPDTYBY