In-Silico Structure Database (LMISSD)
Common Name
PC(P-16:0/15:0)
Systematic Name
1-(1Z-hexadecenyl)-2-pentadecanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01030023
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
703.551592
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
ZUJMOGQAXDIANT-WBXWDXDJSA-N
InChi (Click to copy)
InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
0
Aromatic Rings
0
Rotatable Bonds
38
Van der Waals Molecular Volume
770.34
Topological Polar Surface Area
94.12
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
logP
12.24
Molar Refractivity
201.24