In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(9Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(9Z-docosenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029BAM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
982.687418
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
KDNBHSVBDILKPG-OULKPXBGSA-N
InChi (Click to copy)
InChI=1S/C55H99O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-49(56)66-48(47-65-68(62,63)67-55-53(60)51(58)50(57)52(59)54(55)61)46-64-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,25-27,29-30,32,36,38,48,50-55,57-61H,3-18,20,22-24,28,31,33-35,37,39-47H2,1-2H3,(H,62,63)/b21-19-,26-25-,29-27-,32-30-,38-36-/t48-,50?,51-,52?,53?,54?,55-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCCCCCC