Structure Database (LMSD)
Common Name
PGE2-EA
Systematic Name
N-(11R,15S-dihydroxy-9-oxo-5Z,13E-prostadienoyl)-ethanolamine
Synonyms
- Prostaglandin E2-EA
- Prostamide-E2
- PME2
LM ID
LMFA03010151
Formula
Exact Mass
Calculate m/z
395.267174
Sum Composition
Status
Active
3D model of PGE2-EA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GKKWUSPPIQURFM-IGDGGSTLSA-N
InChi (Click to copy)
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCO
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
421.19
Topological Polar Surface Area
106.86
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.42
Molar Refractivity
111.61
Admin
Created at
-
Updated at
22nd Sep 2023