In-Silico Structure Database (LMISSD)
Common Name
PI(P-20:1(11Z)/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FUJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
820.437413
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
DLBNSGNNLGMZLW-PMKALMPZSA-N
InChi (Click to copy)
InChI=1S/C40H69O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-52-29-33(54-34(44)26-22-25-31(42)23-19-20-24-32(43)28-41)30-53-56(50,51)55-40-38(48)36(46)35(45)37(47)39(40)49/h9-10,19-21,23-24,27-28,31-33,35-40,42-43,45-49H,2-8,11-18,22,25-26,29-30H2,1H3,(H,50,51)/b10-9-,23-19+,24-20+,27-21-/t31?,32?,33-,35?,36-,37?,38?,39?,40-/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\CCCCCCCC/C=C\CCCCCCCC