[3H]PGE2   Click here for help

GtoPdb Ligand ID: 1916

Synonyms: [3H]-PGE2 | [3H]prostaglandin E2 | [3H]prostin E2
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 94.83
Molecular weight 352.22
XLogP 2.79
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)O
Isomeric SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChI Key XEYBRNLFEZDVAW-ARSRFYASSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Synonyms Click here for help
[3H]-PGE2 | [3H]prostaglandin E2 | [3H]prostin E2
Database Links Click here for help
CAS Registry No. 363-24-6
ChEMBL Ligand CHEMBL548
DrugCentral Ligand 913
GtoPdb PubChem SID 135651569
PubChem CID 5280360
RCSB PDB Ligand P2E
Search Google for chemical match using the InChIKey XEYBRNLFEZDVAW-ARSRFYASSA-N
Search Google for chemicals with the same backbone XEYBRNLFEZDVAW
Search UniChem for chemical match using the InChIKey XEYBRNLFEZDVAW-ARSRFYASSA-N
Search UniChem for chemicals with the same backbone XEYBRNLFEZDVAW

Product suppliers

View disclaimer

Tocris
Prostaglandin E2
Cat. No. 2296