In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(11Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AIY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.593518
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
RKOOIMGSSGZWKO-SMEKNLAPSA-N
InChi (Click to copy)
InChI=1S/C49H87O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(50)60-42(40-58-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)41-59-62(56,57)61-49-47(54)45(52)44(51)46(53)48(49)55/h10,12,19-20,22-23,25-26,30,32,42,44-49,51-55H,3-9,11,13-18,21,24,27-29,31,33-41H2,1-2H3,(H,56,57)/b12-10-,20-19-,23-22-,26-25-,32-30-/t42-,44?,45-,46?,47?,48?,49-/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)COCCCCCCCCCC/C=C\CCCC