In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(11Z)/24:0)
Systematic Name
1-(11Z-docosenyl)-2-tetracosanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029A79
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
990.750018
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
CUURPQRLMCWQPB-QZIYUTISSA-N
InChi (Click to copy)
InChI=1S/C55H107O12P/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/h22,24,48,50-55,57-61H,3-21,23,25-47H2,1-2H3,(H,62,63)/b24-22-/t48-,50?,51-,52?,53?,54?,55-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCCCC