In-Silico Structure Database (LMISSD)
Common Name
PC(O-20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(11Z-eicosenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01029AWL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
847.645492
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-alkyl,2-acylglycerophosphocholines [GP0102]
String Representations
InChiKey (Click to copy)
BSMRVDGQZVTNBE-PPUCMXFMSA-N
InChi (Click to copy)
InChI=1S/C50H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-27,31,33,37,39,49H,6-13,15,17-19,24-25,28-30,32,34-36,38,40-48H2,1-5H3/b16-14-,22-20-,23-21-,27-26-,33-31-,39-37-/t49-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC