In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-docosyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029A5V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.640468
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
HDWOJSWPKSWUTJ-HROFLJEGSA-N
InChi (Click to copy)
InChI=1S/C53H93O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-62-44-46(45-63-66(60,61)65-53-51(58)49(56)48(55)50(57)52(53)59)64-47(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,20,22,24,26,30,32,36,38,46,48-53,55-59H,3-5,7,9-11,13,15-19,21,23,25,27-29,31,33-35,37,39-45H2,1-2H3,(H,60,61)/b8-6-,14-12-,22-20+,26-24-,32-30-,38-36-/t46-,48?,49-,50?,51?,52?,53-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCCCC