In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:1(11Z)/25:0)
Systematic Name
1-(11Z-eicosenyl)-2-pentacosanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AWT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
976.734368
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
NQJRLWORGQDWSS-WOPXUKJUSA-N
InChi (Click to copy)
InChI=1S/C54H105O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-48(55)65-47(46-64-67(61,62)66-54-52(59)50(57)49(56)51(58)53(54)60)45-63-44-42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-4-2/h18,20,47,49-54,56-60H,3-17,19,21-46H2,1-2H3,(H,61,62)/b20-18-/t47-,49?,50-,51?,52?,53?,54-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC