In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(11Z)/27:0)
Systematic Name
1-(11Z-docosenyl)-2-heptacosanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029A8I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1032.796968
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
RIKOCVQVARFMBP-DQLOQPTHSA-N
InChi (Click to copy)
InChI=1S/C58H113O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-31-33-35-37-39-41-43-45-47-52(59)69-51(50-68-71(65,66)70-58-56(63)54(61)53(60)55(62)57(58)64)49-67-48-46-44-42-40-38-36-34-32-30-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,51,53-58,60-64H,3-21,23,25-50H2,1-2H3,(H,65,66)/b24-22-/t51-,53?,54-,55?,56?,57?,58-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCCCC