Structure Database (LMSD)
Common Name
PGF1beta
Systematic Name
9R,11R,15S-trihydroxy-13E-prostaenoic acid
Synonyms
- Prostaglandin F1beta
LM ID
LMFA03010069
Formula
Exact Mass
Calculate m/z
356.256275
Sum Composition
Status
Curated
3D model of PGF1beta
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
PGF1β is the C-9 epimer of PGF1α. It was shown to enhance respiratory rate in experimental animals when administered intravenously.1
This information has been provided by Cayman Chemical
References
1. Brookes, L.G., and Marshall, R.C. The effects of some prostaglandins on respiration in the rabbit. J. Pharm. Pharmacol. 26(Suppl), 80P-81P (1974).
String Representations
InChiKey (Click to copy)
DZUXGQBLFALXCR-JQXWHSLNSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
380.87
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.13
Molar Refractivity
99.77
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Updated at
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