In-Silico Structure Database (LMISSD)
Common Name
PI(14:1(9Z)/38:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06019AN2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1088.823183
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
XXGWWECEMWAOEW-PKMRWCRKSA-N
InChi (Click to copy)
InChI=1S/C61H117O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(63)73-53(51-71-54(62)49-47-45-43-41-39-14-12-10-8-6-4-2)52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68/h10,12,53,56-61,64-68H,3-9,11,13-52H2,1-2H3,(H,69,70)/b12-10-/t53-,56?,57-,58?,59?,60?,61-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCC)=O