Structure Database (LMSD)
Common Name
PGD2-EA
Systematic Name
N-(9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoyl)-ethanolamine
Synonyms
- Prostaglandin D2-EA
- Prostamide-D2
- PMD2
LM ID
LMFA03010152
Formula
Exact Mass
Calculate m/z
395.267174
Sum Composition
Status
Active
3D model of PGD2-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)
KEYDJKSQFDUAGF-YIRKRNQHSA-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/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Metabolism of the endocannabinoids, 2-arachidonylglycerol and anandamide, into prostaglandin, thromboxane, and prostacyclin glycerol esters and ethanolamides.,
J Biol Chem, 2002
J Biol Chem, 2002
Pubmed ID:
12244105
Other Databases
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