In-Silico Structure Database (LMISSD)
Common Name
PG(15:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-pentadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04010148
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
728.462838
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
WXUHYVJIFRMYKP-VASUMWCXSA-N
InChi (Click to copy)
InChI=1S/C39H69O10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-39(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,36-37,40-41H,3-4,6,8-10,12,14-16,19-20,22,24-35H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,23-21-/t36-,37+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
775.15
Topological Polar Surface Area
148.82
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
11.27
Molar Refractivity
203.37