In-Silico Structure Database (LMISSD)
Common Name
PA(20:4(5Z,8Z,11Z,14Z)/13:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phosphate
LM ID
LMGP10010619
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
654.426058
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
PYVGBKPQMPJQJZ-YKQGVKHQSA-N
InChi (Click to copy)
InChI=1S/C36H63O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-22-14-12-10-8-6-4-2/h11,13,16-17,19-20,23-24,34H,3-10,12,14-15,18,21-22,25-33H2,1-2H3,(H2,39,40,41)/b13-11-,17-16-,20-19-,24-23-/t34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
705.67
Topological Polar Surface Area
119.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
logP
11.20
Molar Refractivity
184.92