Structure Database (LMSD)
Common Name
13,14-dihydro-15-keto-PGF1alpha
Systematic Name
9S,11R-dihydroxy-15-oxo-prostanoic acid
Synonyms
- 13,14-dihydro-15-keto-Prostaglandin F1alpha
LM ID
LMFA03010168
Formula
Exact Mass
Calculate m/z
356.256275
Sum Composition
Status
Curated
3D model of 13,14-dihydro-15-keto-PGF1alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
13,14-dihydro-15-keto Prostaglandin F1α (13,14-dihydro-15-keto PGF1α) is a metabolite of PGF1α that has been reported in the rat stomach.1 The measurement of 13,14-dihydro-15-keto PGF1α can be used as a marker of the in vivo production of PGF1α.2
This information has been provided by Cayman Chemical
References
1. Pace-Asciak, C.R., Morawska, K., and Wolfe, L.S. Metabolism of prostaglandin F1α by the rat stomach. Biochim. Biophys. Acta 218, 288-295 (1970).
2. Sors, H., Maclouf, J., Pradelles, P., et al. The use of iodinated tracers for a sensitive radioimmunoassay of 13,14-dihydro-15-keto prostaglandin Fα. Biochim. Biophys. Acta 486, 553-564 (1977).
String Representations
InChiKey (Click to copy)
FVPKMMQYALWZHV-AKHDSKFASA-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/h16-19,22-23H,2-14H2,1H3,(H,24,25)/t16-,17-,18+,19-/m1/s1
SMILES (Click to copy)
C(CCCCCC[C@@H]1[C@@H](CCC(=O)CCCCC)[C@H](O)C[C@@H]1O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
380.87
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
4.27
Molar Refractivity
98.36
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Updated at
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