Structure Database (LMSD)
Common Name
19R-hydroxy-PGF1alpha
Systematic Name
9S,11R,15S,19R-tetrahydroxy-13E-prostaenoic acid
Synonyms
- 19(R)-hydroxy-Prostaglandin F1alpha
LM ID
LMFA03010038
Formula
Exact Mass
Calculate m/z
372.25119
Sum Composition
Status
Curated
3D model of 19R-hydroxy-PGF1alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
19(R)-hydroxy PGF1α is an ω-1 hydroxylase metabolite of PGF1α that has been identified in the semen of humans and marsupials.1,2 There are no published reports on its biological activity.
This information has been provided by Cayman Chemical
References
1. Taylor, P.L., and Kelly, R.W. The occurrence of 19-hydroxy F prostaglandins in human semen. FEBS Lett. 57(1), 22-25 (1975).
2. Marley, P.B., Rodger, J.C., White, I.G., et al. 19-Hydroxylated prostaglandins in the semen of the marsupial Trichosurus vulpecula (brush-tailed possum). Comp. Biochem. Physiol. B Biochem. Mol. Biol. 70(3), 619-621 (1981).
String Representations
InChiKey (Click to copy)
JRNZEGAFLBTZDT-IRMCVWCUSA-N
InChi (Click to copy)
InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-19,21-24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14-,15+,16-,17-,18+,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCC[C@H](O)C)[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
389.66
Topological Polar Surface Area
118.22
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
3.38
Molar Refractivity
101.68
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Updated at
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