Structure Database (LMSD)
Common Name
11-deoxy-PGF1b
Systematic Name
9R,15S-dihydroxy-13E-prostaenoic acid
Synonyms
- 11-deoxy-Prostaglandin F1b
LM ID
LMFA03010070
Formula
Exact Mass
Calculate m/z
340.261361
Sum Composition
Status
Curated
3D model of 11-deoxy-PGF1b
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
11-deoxy Prostaglandin F1β (11-deoxy PGF1β) is a synthetic analog of PGF1β. In contrast to PGF2α and PGF1α, 11-deoxy PGF1β exhibits vasodepressor and bronchodilator activities in guinea pigs at a dose of 500 µg/kg.1
This information has been provided by Cayman Chemical
References
1. Hall, D.W.R., and Jaitly, K.D. Structure-activity relationships in a series of 11-deoxy prostaglandins. Prostaglandins 11(3), 573-587 (1976).
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
HYBPXYQCXNOTFK-JLNUFZAQSA-N
InChi (Click to copy)
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)CC[C@@H](O)[C@@H]1CCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
372.08
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.87
Molar Refractivity
97.87
Admin
Created at
-
Updated at
13th Mar 2025