In-Silico Structure Database (LMISSD)
Common Name
PC(P-14:0/20:2(5Z,8Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039DEJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
741.567242
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
SWKVFDCLFBDORI-NENKJMJGSA-N
InChi (Click to copy)
InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-19-17-15-13-11-9-7-2/h23-24,27,29,34,37,41H,6-22,25-26,28,30-33,35-36,38-40H2,1-5H3/b24-23-,29-27-,37-34-/t41-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC