In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-20:1(11Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08039CBI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1112.573134
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
UMWKYNWUOVSBTD-QGCPQIABSA-N
InChi (Click to copy)
InChI=1S/C53H95O18P3/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)68-46(44-66-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2)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/h18-21,24-25,28,30,34,36,41,43,46,48-53,55-57H,3-17,22-23,26-27,29,31-33,35,37-40,42,44-45H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b20-18-,21-19-,25-24-,30-28-,36-34-,43-41-/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(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC