In-Silico Structure Database (LMISSD)
Common Name
PG(13:0/20:2(11Z,14Z))
Systematic Name
1-tridecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04010084
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
732.494138
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
LTNFFZGMPVCCIX-XAYWGOSVSA-N
InChi (Click to copy)
InChI=1S/C39H73O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-39(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,36-37,40-41H,3-10,12,14-15,18-35H2,1-2H3,(H,44,45)/b13-11-,17-16-/t36-,37+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
780.43
Topological Polar Surface Area
148.82
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
11.72
Molar Refractivity
203.56