IP3

Ligand Id: 4222
Ligand name IP3

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 9
Rotatable bonds 6
Topological polar surface area 290.4
Molecular weight 419.96
XLogP -7.29
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
IUPAC Name
{[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Synonyms
1,4,5-IP3
1D-myo-inositol 1,4,5-trisphosphate
inositol 1,4,5-trisphosphate
Ins(1,4,5)P3
Database Links
CAS Registry No. 85166-31-0 (source: Scifinder)
ChEBI CHEBI:16595
Human Metabolome Database HMDB01498
PubChem CID 439456
Search Google for chemical match using the InChIKey MMWCIQZXVOZEGG-XJTPDSDZSA-N
Search Google for chemicals with the same backbone MMWCIQZXVOZEGG
Wikipedia Inositol_trisphosphate
ZINC ZINC24433941