In-Silico Structure Database (LMISSD)
Common Name
PI(17:1(9Z)/11:1(9E)(11Ke))
Systematic Name
1-(9Z-heptadecenoyl)-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059AWY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
764.411198
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
KDSSLWFRZFRRPE-ZKUHVKTPSA-N
InChi (Click to copy)
InChI=1S/C37H65O14P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-24-30(39)48-27-29(50-31(40)25-22-19-16-13-14-17-20-23-26-38)28-49-52(46,47)51-37-35(44)33(42)32(41)34(43)36(37)45/h8-9,20,23,26,29,32-37,41-45H,2-7,10-19,21-22,24-25,27-28H2,1H3,(H,46,47)/b9-8-,23-20+/t29-,32?,33-,34?,35?,36?,37-/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)COC(CCCCCCC/C=C\CCCCCCC)=O