In-Silico Structure Database (LMISSD)
Common Name
PG(20:4(5Z,8Z,11Z,14Z)/18:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04010630
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.541088
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
SFLDCCXGUXPHRG-VKXIRHRZSA-N
InChi (Click to copy)
InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(47)51-39-42(40-53-55(49,50)52-38-41(46)37-45)54-44(48)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,41-42,45-46H,3-10,12,14-16,18,20-21,24-26,28,30-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-22-,29-27-/t41-,42+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
0
Aromatic Rings
0
Rotatable Bonds
42
Van der Waals Molecular Volume
861.65
Topological Polar Surface Area
148.82
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
13.22
Molar Refractivity
226.46