In-Silico Structure Database (LMISSD)
Common Name
PC(P-14:0/18:4(9E,11E,13E,15E))
Systematic Name
1-(1Z-tetradecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039DEB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
709.504642
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
IFCGUJDNBDPUQB-VWDGXSLCSA-N
InChi (Click to copy)
InChI=1S/C40H72NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20-21,32,35,39H,6-7,9,11,13,15,17,19,22-31,33-34,36-38H2,1-5H3/b10-8+,14-12+,18-16+,21-20+,35-32-/t39-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCCCCCCCC