Structure Database (LMSD)
Common Name
16,16-dimethyl-PGF2beta
Systematic Name
9R,11R,15R-trihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid
Synonyms
- 16,16-dimethyl-Prostaglandin F2beta
LM ID
LMFA03010083
Formula
Exact Mass
Calculate m/z
382.271925
Sum Composition
Status
Curated
3D model of 16,16-dimethyl-PGF2beta
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
16,16-dimethyl PGF2β is a metabolically stable analog of PGF2β. It prevents bronchospasm in asthmatics but is less potent than PGE2.1
This information has been provided by Cayman Chemical
References
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Prostanoids preventing induced bronchospasm
String Representations
InChiKey (Click to copy)
YMRWVEHSLXJOCD-OPVFONCOSA-N
InChi (Click to copy)
InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18-,19-,20-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)C(C)(C)CCCC)[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
412.83
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.54
Molar Refractivity
108.84
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Updated at
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