In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-22:1(9Z)/22:2(13Z,16Z))
Systematic Name
1-(9Z-docosenyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029C48
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1118.620084
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
OGHLQCIQJZCLDK-VWJXPDCMSA-N
InChi (Click to copy)
InChI=1S/C53H101O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-66-44-46(68-47(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45-67-74(64,65)71-51-48(55)49(56)52(69-72(58,59)60)53(50(51)57)70-73(61,62)63/h12,14,18,20,25,27,46,48-53,55-57H,3-11,13,15-17,19,21-24,26,28-45H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b14-12-,20-18-,27-25-/t46-,48?,49+,50?,51-,52?,53?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCCCCCC