Structure Database (LMSD)
Common Name
19R-hydroxy-PGA2
Systematic Name
9-oxo-15S,19R-dihydroxy-5Z,10Z,13E-prostatrienoic acid
Synonyms
- 19(R)-hydroxy-Prostaglandin A2
LM ID
LMFA03010166
Formula
Exact Mass
Calculate m/z
350.209325
Sum Composition
Status
Curated
3D model of 19R-hydroxy-PGA2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Found in human seminal plasma, 19(R)-hydroxy prostaglandin A2 (19(R)-hydroxy PGA2) is presumed to be a non-enzymatic dehydration metabolite of 19(R)-hydroxy PGE2, which is also found in semen.1
This information has been provided by Cayman Chemical
References
1. Hamberg, M., and Samuelsson, B. Prostaglandins in human seminal plasma. J. Biol. Chem. 241(2), 257-263 (1966).
String Representations
InChiKey (Click to copy)
RXYQCXVUMLSFHM-HCLDBPGNSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11-18,21-22H,3,5-10H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,16+,17+,18-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCC[C@H](O)C)C=CC1=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
372.95
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.60
Molar Refractivity
98.07
Admin
Created at
-
Updated at
-