In-Silico Structure Database (LMISSD)
Common Name
PC(P-22:1(9Z)/20:4(5Z,8Z,10E,14Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039A0W
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-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
NLODXLFTPGEEQG-SYZLMNRGSA-N
InChi (Click to copy)
InChI=1S/C50H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,23,26-29,31,35,37,42,45,49H,6-14,16,18-22,24-25,30,32-34,36,38-41,43-44,46-48H2,1-5H3/b17-15-,27-23+,28-26-,31-29-,37-35-,45-42-/t49-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC