In-Silico Structure Database (LMISSD)
Common Name
PC(P-16:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01039AGI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
787.551592
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
String Representations
InChiKey (Click to copy)
WFQRPJWCAKXAHM-WCJBHNTBSA-N
InChi (Click to copy)
InChI=1S/C46H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19,22-25,27,29,33,35,38,41,45H,6-7,9,11-13,15,18,20-21,26,28,30-32,34,36-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,19-17-,23-22+,25-24-,29-27-,35-33-,41-38-/t45-/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\CC/C=C\C/C=C\CC)=O)CO/C=C\CCCCCC/C=C\CCCCCC