In-Silico Structure Database (LMISSD)
Common Name
PC(14:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))
Systematic Name
1-(9Z-tetradecenoyl)-2-(14-HDoHE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AKS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
791.510122
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
QNYHJTKRZQLGPQ-PLMCGJBQSA-N
InChi (Click to copy)
InChI=1S/C44H74NO9P/c1-6-8-10-12-14-15-16-20-23-27-31-35-43(47)51-39-42(40-53-55(49,50)52-38-37-45(3,4)5)54-44(48)36-32-28-24-21-18-17-19-22-26-30-34-41(46)33-29-25-13-11-9-7-2/h9,11-12,14,17-18,22,24-26,28-30,34,41-42,46H,6-8,10,13,15-16,19-21,23,27,31-33,35-40H2,1-5H3/b11-9-,14-12-,18-17-,26-22-,28-24-,29-25-,34-30+/t41?,42-/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(O)C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O