In-Silico Structure Database (LMISSD)
Common Name
PG(17:2(9Z,12Z)/20:4(5Z,8Z,10E,14Z)(12Ke))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(12-Oxo-ETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AZL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.473403
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
OIRCMKZREAYLGZ-REZMIESCSA-N
InChi (Click to copy)
InChI=1S/C43H71O11P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-33-42(47)51-37-41(38-53-55(49,50)52-36-40(46)35-44)54-43(48)34-30-26-22-19-18-20-24-28-32-39(45)31-27-23-10-8-6-4-2/h9,11,13-14,19-20,22-24,27-28,32,40-41,44,46H,3-8,10,12,15-18,21,25-26,29-31,33-38H2,1-2H3,(H,49,50)/b11-9-,14-13-,22-19-,24-20-,27-23-,32-28+/t40-,41+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O)(=O)O