In-Silico Structure Database (LMISSD)
Common Name
PI(P-18:1(9Z)/8:1(6E)(5Ke,8Ke))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FSF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
734.364248
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
CGIDLDZMADLWRG-YHMZPDDBSA-N
InChi (Click to copy)
InChI=1S/C35H59O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-46-25-28(48-29(38)22-18-20-27(37)21-19-23-36)26-47-50(44,45)49-35-33(42)31(40)30(39)32(41)34(35)43/h9-10,17,19,21,23-24,28,30-35,39-43H,2-8,11-16,18,20,22,25-26H2,1H3,(H,44,45)/b10-9-,21-19+,24-17-/t28-,30?,31-,32?,33?,34?,35-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCC/C=C\CCCCCCCC