1-OH-PGE1   

GtoPdb Ligand ID: 1944

Synonyms: 19-hydroxy-PGE1 | 19-hydroxyprostaglandin E1 | 19-OH PGE1
2D Structure
Click here for structure editor
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
Classification
Compound class Metabolite or derivative
IUPAC Name
7-[(1R,2R,3R)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
Synonyms
19-hydroxy-PGE1 | 19-hydroxyprostaglandin E1 | 19-OH PGE1
Database Links
CAS Registry No. 55123-67-6 (source: Scifinder)
GtoPdb PubChem SID 135651385
PubChem CID 6438402
Search Google for chemical match using the InChIKey QVVXWHIDRKRPMO-LXCOYWBSSA-N
Search Google for chemicals with the same backbone QVVXWHIDRKRPMO
Search UniChem for chemical match using the InChIKey QVVXWHIDRKRPMO-LXCOYWBSSA-N
Search UniChem for chemicals with the same backbone QVVXWHIDRKRPMO