In-Silico Structure Database (LMISSD)
Common Name
PI(15:0/13:2(9E,11E)(8OH,13Ke))
Systematic Name
1-pentadecanoyl-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059ALU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
780.406113
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
DYDJMLOXOHRODZ-HCNJDKCUSA-N
InChi (Click to copy)
InChI=1S/C37H65O15P/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-30(40)49-26-29(51-31(41)24-19-14-13-16-21-28(39)22-17-15-20-25-38)27-50-53(47,48)52-37-35(45)33(43)32(42)34(44)36(37)46/h15,17,20,22,25,28-29,32-37,39,42-46H,2-14,16,18-19,21,23-24,26-27H2,1H3,(H,47,48)/b20-15+,22-17+/t28?,29-,32?,33-,34?,35?,36?,37-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCC)=O