In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(9Z)/26:1(5Z))
Systematic Name
1-(9Z-docosenyl)-2-(5Z-hexacosenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029BAP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1016.765668
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
ZRTSVDIUKSQCHO-OLVIDETCSA-N
InChi (Click to copy)
InChI=1S/C57H109O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-51(58)68-50(49-67-70(64,65)69-57-55(62)53(60)52(59)54(61)56(57)63)48-66-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2/h29,31,38,40,50,52-57,59-63H,3-28,30,32-37,39,41-49H2,1-2H3,(H,64,65)/b31-29-,40-38-/t50-,52?,53-,54?,55?,56?,57-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCCCCCC