In-Silico Structure Database (LMISSD)
Common Name
PI(15:0/22:6(4Z,7Z,9E,13Z,16Z,19Z)(11OH))
Systematic Name
1-pentadecanoyl-2-(11-HDoHE)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059AMU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
884.505098
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
YANZDDXSVVOXKA-SEAPEQGXSA-N
InChi (Click to copy)
InChI=1S/C46H77O14P/c1-3-5-7-9-11-13-14-15-17-21-25-29-33-39(48)57-35-38(36-58-61(55,56)60-46-44(53)42(51)41(50)43(52)45(46)54)59-40(49)34-30-26-22-18-20-24-28-32-37(47)31-27-23-19-16-12-10-8-6-4-2/h6,8,12,16,20,22-24,26-28,32,37-38,41-47,50-54H,3-5,7,9-11,13-15,17-19,21,25,29-31,33-36H2,1-2H3,(H,55,56)/b8-6-,16-12-,24-20-,26-22-,27-23-,32-28+/t37?,38-,41?,42-,43?,44?,45?,46-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCC)=O