In-Silico Structure Database (LMISSD)
Common Name
PI(P-18:1(9Z)/11:1(9E)(11Ke))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FQQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
762.431933
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
LPEJMFMSXUIWJB-OOPNOPDCSA-N
InChi (Click to copy)
InChI=1S/C38H67O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-48-29-31(50-32(40)26-23-20-17-14-15-18-21-24-27-39)30-49-52(46,47)51-38-36(44)34(42)33(41)35(43)37(38)45/h9-10,21,24-25,27-28,31,33-38,41-45H,2-8,11-20,22-23,26,29-30H2,1H3,(H,46,47)/b10-9-,24-21+,28-25-/t31-,33?,34-,35?,36?,37?,38-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/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