In-Silico Structure Database (LMISSD)
Common Name
PC(24:0/20:1(11Z))
Systematic Name
1-tetracosanoyl-2-(11Z-eicosenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01011155
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
899.734307
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
Diacylglycerophosphocholines [GP0101]
String Representations
InChiKey (Click to copy)
FPTZGKMFUCCQES-ZMGYLBOHSA-N
InChi (Click to copy)
InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h21,23,50H,6-20,22,24-49H2,1-5H3/b23-21-/t50-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCC)=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
62
Rings
0
Aromatic Rings
0
Rotatable Bonds
51
Van der Waals Molecular Volume
1001.39
Topological Polar Surface Area
111.19
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
9
logP
16.49
Molar Refractivity
261.65