In-Silico Structure Database (LMISSD)
Common Name
PE(18:2(9Z,12Z)/20:2(11Z,14Z))
Systematic Name
1-(9Z,12Z-octadecadienoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02010671
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
767.546507
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
Diacylglycerophosphoethanolamines [GP0201]
String Representations
InChiKey (Click to copy)
ZVMOCFAAUCJXQU-OOFVPZMUSA-N
InChi (Click to copy)
InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,41H,3-10,15-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,21-18-/t41-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
0
Aromatic Rings
0
Rotatable Bonds
41
Van der Waals Molecular Volume
837.77
Topological Polar Surface Area
134.38
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
logP
13.54
Molar Refractivity
221.91