In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](P-16:1(11Z)/16:1(9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08039A4J
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.432284
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)
GOCZSFIEHJFIKP-KSFDZRNZSA-N
InChi (Click to copy)
InChI=1S/C41H77O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-54-32-34(56-35(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-55-62(52,53)59-41-37(44)39(57-60(46,47)48)36(43)40(38(41)45)58-61(49,50)51/h9,11,14,16,29,31,34,36-41,43-45H,3-8,10,12-13,15,17-28,30,32-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b11-9-,16-14-,31-29-/t34-,36?,37?,38?,39-,40?,41-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCC/C=C\CCCC