In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:1(9Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(9Z-eicosenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AY3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
954.656118
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
USDMJQKTOBATDK-MXOAKQDSSA-N
InChi (Click to copy)
InChI=1S/C53H95O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-47(54)64-46(45-63-66(60,61)65-53-51(58)49(56)48(55)50(57)52(53)59)44-62-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h19,21-22,24-25,27-28,30,34,36,46,48-53,55-59H,3-18,20,23,26,29,31-33,35,37-45H2,1-2H3,(H,60,61)/b21-19-,25-24-,27-22-,30-28-,36-34-/t46-,48?,49-,50?,51?,52?,53-/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)COCCCCCCCC/C=C\CCCCCCCCCC