In-Silico Structure Database (LMISSD)
Common Name
PA(14:1(9Z)/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH))
Systematic Name
1-(9Z-tetradecenoyl)-2-(8-HDoHE)-sn-glycero-3-phosphate
LM ID
LMGP20079AKR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
706.420973
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
FIJIVSIJZQXSSF-GNIKATMSSA-N
InChi (Click to copy)
InChI=1S/C39H63O9P/c1-3-5-7-9-11-13-15-17-18-20-22-26-30-36(40)31-27-24-25-29-33-39(42)48-37(35-47-49(43,44)45)34-46-38(41)32-28-23-21-19-16-14-12-10-8-6-4-2/h5,7,10-13,17-18,22,24-27,31,36-37,40H,3-4,6,8-9,14-16,19-21,23,28-30,32-35H2,1-2H3,(H2,43,44,45)/b7-5-,12-10-,13-11-,18-17-,25-24-,26-22-,31-27+/t36?,37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O