In-Silico Structure Database (LMISSD)
Common Name
PI(P-18:1(9Z)/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FQR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
792.406113
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
YQFMLJZTXZZXNX-RFQXFUOESA-N
InChi (Click to copy)
InChI=1S/C38H65O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-50-27-31(52-32(42)24-20-23-29(40)21-17-18-22-30(41)26-39)28-51-54(48,49)53-38-36(46)34(44)33(43)35(45)37(38)47/h9-10,17-19,21-22,25-26,29-31,33-38,40-41,43-47H,2-8,11-16,20,23-24,27-28H2,1H3,(H,48,49)/b10-9-,21-17+,22-18+,25-19-/t29?,30?,31-,33?,34-,35?,36?,37?,38-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC(O)/C=C/C=C/C(O)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