In-Silico Structure Database (LMISSD)
Common Name
PI(P-16:1(9Z)/8:1(6E)(5OH,8Ke))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FMT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
708.348598
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
BOZJKFSYYKXJLK-YIJIZUPHSA-N
InChi (Click to copy)
InChI=1S/C33H57O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-44-23-26(46-27(36)20-16-18-25(35)19-17-21-34)24-45-48(42,43)47-33-31(40)29(38)28(37)30(39)32(33)41/h7-8,15,17,19,21-22,25-26,28-33,35,37-41H,2-6,9-14,16,18,20,23-24H2,1H3,(H,42,43)/b8-7-,19-17+,22-15-/t25?,26-,28?,29-,30?,31?,32?,33-/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\CCCCCC