Structure Database (LMSD)
Common Name
13,14-dihydro-20-hydroxy-15-oxo-20-carboxy-PGF2alpha
Systematic Name
9S,11R,20-trihydroxy-15-oxo-5Z-prosten-1,20dioic acid
Synonyms
- 13,14-dihydro-20-hydroxy-15-oxo-20-carboxy-Prostaglandin F2alpha
- omega-carboxy 15KD PGF2alpha
LM ID
LMFA03010268
Formula
Exact Mass
Calculate m/z
384.214806
Sum Composition
Status
Curated
3D model of 13,14-dihydro-20-hydroxy-15-oxo-20-carboxy-PGF2alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
ZOMSIHPATHBPLP-WBIFQALJSA-N
InChi (Click to copy)
InChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h1,3,15-18,22-23H,2,4-13H2,(H,24,25)(H,26,27)/b3-1-/t15-,16-,17+,18-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC(=O)O)[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
Rotatable Bonds
14
Van der Waals Molecular Volume
393.17
Topological Polar Surface Area
132.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
3.11
Molar Refractivity
100.22
Admin
Created at
29th Jul 2025
Updated at
29th Jul 2025