In-Silico Structure Database (LMISSD)
Common Name
PI(P-18:1(11Z)/13:2(9E,11E)(13Ke))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FO0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
788.447583
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
ZUTNLIDBRPRSKV-IAIFCPFHSA-N
InChi (Click to copy)
InChI=1S/C40H69O13P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-50-31-33(52-34(42)28-25-22-19-16-13-14-17-20-23-26-29-41)32-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h7-8,17,20,23,26-27,29-30,33,35-40,43-47H,2-6,9-16,18-19,21-22,24-25,28,31-32H2,1H3,(H,48,49)/b8-7-,20-17+,26-23+,30-27-/t33-,35?,36-,37?,38?,39?,40-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/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\CCCCCC