In-Silico Structure Database (LMISSD)
Common Name
PA(13:0/20:4(5Z,9E,11Z,14Z)(8Ke))
Systematic Name
1-tridecanoyl-2-(8-Oxo-ETE)-sn-glycero-3-phosphate
LM ID
LMGP20079AGV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
668.405323
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
CZTMWYAWSOYIQK-AWNLNACOSA-N
InChi (Click to copy)
InChI=1S/C36H61O9P/c1-3-5-7-9-11-13-15-17-19-23-27-33(37)28-24-21-22-26-30-36(39)45-34(32-44-46(40,41)42)31-43-35(38)29-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23-24,27,34H,3-10,12,14-16,18,20,22,25-26,28-32H2,1-2H3,(H2,40,41,42)/b13-11-,19-17-,24-21-,27-23+/t34-/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(CCCCCCCCCCCC)=O