In-Silico Structure Database (LMISSD)
Common Name
PG(18:4(9E,11E,13E,15E)/8:1(6E)(5Ke,8Ke))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069B2B
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
656.296168
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
JXSXVKQBNVRNCC-OLULSSRWSA-N
InChi (Click to copy)
InChI=1S/C32H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(37)41-26-30(27-43-45(39,40)42-25-29(36)24-34)44-32(38)22-17-19-28(35)20-18-23-33/h3-10,18,20,23,29-30,34,36H,2,11-17,19,21-22,24-27H2,1H3,(H,39,40)/b4-3+,6-5+,8-7+,10-9+,20-18+/t29-,30+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(=O)O