isopentenyl diphosphate

Ligand id: 3048

Name: isopentenyl diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 132.91
Molecular weight 246.01
XLogP -1.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3-methylbut-3-enyl phosphono hydrogen phosphate
Synonyms
IPP
IPPP
isopentenyl pyrophosphate
Database Links
BRENDA Ligand 11832
CAS Registry No. 358-71-4 (source: Scifinder)
ChEBI CHEBI:16584
ChEMBL Ligand CHEMBL356362
DrugBank Ligand DB04714
Human Metabolome Database HMDB01347
PubChem CID 1195
RCSB PDB Ligand IPE
Search Google for chemical match using the InChIKey NUHSROFQTUXZQQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NUHSROFQTUXZQQ
Wikipedia Isopentenyl_diphosphate