1-OH-PGE1   

GtoPdb Ligand ID: 1944

Synonyms: 19-hydroxy-PGE1 | 19-hydroxyprostaglandin E1 | 19-OH PGE1
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 115.06
Molecular weight 370.24
XLogP 1.64
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(C=CC1C(O)CC(=O)C1CCCCCCC(=O)O)CCCC(O)C
Isomeric SMILES O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)CCCC(O)C
InChI InChI=1S/C20H34O6/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/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14?,15-,16+,17+,19+/m0/s1
InChI Key QVVXWHIDRKRPMO-LXCOYWBSSA-N