9α,11β-prostaglandin F   Click here for help

GtoPdb Ligand ID: 5129

Synonyms: 11-epi-prostaglandin F
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 97.99
Molecular weight 354.24
XLogP 3.2
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O
Isomeric SMILES CCCCCC(/C=C/[C@H]1[C@@H](O)CC(C1C/C=C\CCCC(=O)O)O)O
InChI InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16?,17-,18?,19+/m1/s1
InChI Key PXGPLTODNUVGFL-CXMQRTRKSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(5Z)-7-[(2R,3S)-3,5-dihydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
Synonyms Click here for help
11-epi-prostaglandin F
Database Links Click here for help
CAS Registry No. 38432-87-0
ChEBI CHEBI:27595
GtoPdb PubChem SID 178101821
PubChem CID 71684403
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