In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](20:5(5Z,8Z,11Z,14Z,17Z)/14:0)
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019IS1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
988.411549
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
PAIFJMMQOCHOIB-RMVSRBDYSA-N
InChi (Click to copy)
InChI=1S/C43H75O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-21-14-12-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h5,7,11,13,16-17,19-20,23,25,35,38-43,46-48H,3-4,6,8-10,12,14-15,18,21-22,24,26-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b7-5-,13-11-,17-16-,20-19-,25-23-/t35-,38?,39?,40?,41-,42?,43-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O