In-Silico Structure Database (LMISSD)
Common Name
PA(14:0/20:4(5Z,9E,11Z,14Z)(8Ke))
Systematic Name
1-tetradecanoyl-2-(8-Oxo-ETE)-sn-glycero-3-phosphate
LM ID
LMGP20079AIR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
682.420973
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
TYROPWJIUQKKJN-UTKFTDTLSA-N
InChi (Click to copy)
InChI=1S/C37H63O9P/c1-3-5-7-9-11-13-15-17-19-21-26-30-36(39)44-32-35(33-45-47(41,42)43)46-37(40)31-27-23-22-25-29-34(38)28-24-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,22,24-25,28,35H,3-11,13,15-17,19,21,23,26-27,29-33H2,1-2H3,(H2,41,42,43)/b14-12-,20-18-,25-22-,28-24+/t35-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O