In-Silico Structure Database (LMISSD)
Common Name
PA(14:1(9Z)/22:6(4Z,8E,10Z,13Z,16Z,19Z)(7OH))
Systematic Name
1-(9Z-tetradecenoyl)-2-(7-HDoHE)-sn-glycero-3-phosphate
LM ID
LMGP20079AKZ
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)
GRESTBCXLJVQHS-UOFXDBDMSA-N
InChi (Click to copy)
InChI=1S/C39H63O9P/c1-3-5-7-9-11-13-15-16-18-19-21-23-26-30-36(40)31-27-25-29-33-39(42)48-37(35-47-49(43,44)45)34-46-38(41)32-28-24-22-20-17-14-12-10-8-6-4-2/h5,7,10-13,16,18,21,23,25-27,30,36-37,40H,3-4,6,8-9,14-15,17,19-20,22,24,28-29,31-35H2,1-2H3,(H2,43,44,45)/b7-5-,12-10-,13-11-,18-16-,23-21-,27-25-,30-26+/t36?,37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O