19(R)-OH-PGE2   Click here for help

GtoPdb Ligand ID: 1947

Synonyms: 19(R)-hydroxy-PGE2 | 19R-(OH)-PGE2
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 115.06
Molecular weight 368.22
XLogP 1.13
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)CCCC(O)C
Isomeric SMILES O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C
InChI InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1
InChI Key WTJYDBMHYPQFNJ-ZUVVJKHESA-N
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Compound class Metabolite or derivative
IUPAC Name Click here for help
(Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
Synonyms Click here for help
19(R)-hydroxy-PGE2 | 19R-(OH)-PGE2
Database Links Click here for help
CAS Registry No. 55123-68-7 (source: Scifinder)
GtoPdb PubChem SID 135651384
PubChem CID 5283038
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