In-Silico Structure Database (LMISSD)
Common Name
PC(P-16:1(11Z)/14:1(9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039ACQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
685.504642
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
XAFHXVLIBZDUNQ-TWSAUGCRSA-N
InChi (Click to copy)
InChI=1S/C38H72NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h12-15,30,33,37H,6-11,16-29,31-32,34-36H2,1-5H3/b14-12-,15-13-,33-30-/t37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC