In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/22:6(4Z,8E,10Z,13Z,16Z,19Z)(7OH))
Systematic Name
1-(7Z-hexadecenoyl)-2-(7-HDoHE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ASJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
819.541422
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
FLONAXBFQTWJSL-DKVZLNDSSA-N
InChi (Click to copy)
InChI=1S/C46H78NO9P/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-35-43(48)36-32-30-34-38-46(50)56-44(42-55-57(51,52)54-40-39-47(3,4)5)41-53-45(49)37-33-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,30-32,35,43-44,48H,6-7,9,11-13,15,17-19,24-25,27,29,33-34,36-42H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,32-30-,35-31+/t43?,44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCC/C=C\CCCCCCCC)=O