In-Silico Structure Database (LMISSD)
Common Name
PA(P-16:0/20:2(11Z,14Z))
Systematic Name
1-(1Z-hexadecenyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10030020
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
684.509393
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
PSRNYDVWBPKQMG-BKJZZZLGSA-N
InChi (Click to copy)
InChI=1S/C39H73O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(40)46-38(37-45-47(41,42)43)36-44-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,33,35,38H,3-10,12,14-16,18,20-32,34,36-37H2,1-2H3,(H2,41,42,43)/b13-11-,19-17-,35-33-/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
754.06
Topological Polar Surface Area
102.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
13.42
Molar Refractivity
198.47