In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:0/19:0)
Systematic Name
1-(1Z-eicosenyl)-2-nonadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04030073
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
804.624423
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
KQAZSBZYRYLABY-CIMZCTSZSA-N
InChi (Click to copy)
InChI=1S/C45H89O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-51-41-44(42-53-55(49,50)52-40-43(47)39-46)54-45(48)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36,38,43-44,46-47H,3-35,37,39-42H2,1-2H3,(H,49,50)/b38-36-/t43-,44+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
0
Aromatic Rings
0
Rotatable Bonds
46
Van der Waals Molecular Volume
880.72
Topological Polar Surface Area
131.75
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
15.10
Molar Refractivity
230.97