PGF   Click here for help

GtoPdb Ligand ID: 5412

Synonyms: prostaglandin F | U 18714
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 4
Rotatable bonds 13
Topological polar surface area 97.99
Molecular weight 356.26
XLogP 3.72
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCC(C=CC1C(O)CC(C1CCCCCCC(=O)O)O)O
Isomeric SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O
InChI InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChI Key DZUXGQBLFALXCR-CDIPTNKSSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid
Synonyms Click here for help
prostaglandin F | U 18714
Database Links Click here for help
CAS Registry No. 745-62-0
ChEBI CHEBI:28852
ChEMBL Ligand CHEMBL1325783
GtoPdb PubChem SID 178102065
PubChem CID 5280939
Search Google for chemical match using the InChIKey DZUXGQBLFALXCR-CDIPTNKSSA-N
Search Google for chemicals with the same backbone DZUXGQBLFALXCR
Search UniChem for chemical match using the InChIKey DZUXGQBLFALXCR-CDIPTNKSSA-N
Search UniChem for chemicals with the same backbone DZUXGQBLFALXCR