In-Silico Structure Database (LMISSD)
Common Name
PA(P-20:0/20:1(11Z))
Systematic Name
1-(1Z-eicosenyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10030076
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
742.587643
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
WSVYKEAAQCZCIM-OLQPOVPYSA-N
InChi (Click to copy)
InChI=1S/C43H83O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-48-40-42(41-49-51(45,46)47)50-43(44)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,39,42H,3-17,19,21-36,38,40-41H2,1-2H3,(H2,45,46,47)/b20-18-,39-37-/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
0
Aromatic Rings
0
Rotatable Bonds
42
Van der Waals Molecular Volume
825.90
Topological Polar Surface Area
102.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
15.20
Molar Refractivity
217.03