In-Silico Structure Database (LMISSD)
Common Name
PA(16:0/20:4(5Z,8Z,12E,14Z)(11Ke))
Systematic Name
1-hexadecanoyl-2-(11-oxo-ETE)-sn-glycero-3-phosphate
LM ID
LMGP20079AP9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
710.452273
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
QQWUCIMMOMRPBV-KCUWFGDWSA-N
InChi (Click to copy)
InChI=1S/C39H67O9P/c1-3-5-7-9-11-12-13-14-15-16-20-24-28-32-38(41)46-34-37(35-47-49(43,44)45)48-39(42)33-29-25-21-17-19-23-27-31-36(40)30-26-22-18-10-8-6-4-2/h17-18,21-23,26-27,30,37H,3-16,19-20,24-25,28-29,31-35H2,1-2H3,(H2,43,44,45)/b21-17-,22-18-,27-23-,30-26+/t37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\CC(=O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=O