In-Silico Structure Database (LMISSD)
Common Name
PG(P-22:1(11Z)/8:1(6E)(5Ke,8Ke))
Systematic Name
1-(1Z,11Z-docosenyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069F1V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
702.410803
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
DTCRAQSVXMEBNP-VKHOQLLXSA-N
InChi (Click to copy)
InChI=1S/C36H63O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-44-31-35(32-46-48(42,43)45-30-34(40)29-38)47-36(41)26-22-24-33(39)25-23-27-37/h11-12,21,23,25,27-28,34-35,38,40H,2-10,13-20,22,24,26,29-32H2,1H3,(H,42,43)/b12-11-,25-23+,28-21-/t34-,35+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC