In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/38:0)
Systematic Name
1-(1Z-tetradecenyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039AN2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1234.776584
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
VRDIGLBWPMDRDV-XXVKNOQXSA-N
InChi (Click to copy)
InChI=1S/C61H121O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-55(62)76-54(52-74-51-49-47-45-43-41-16-14-12-10-8-6-4-2)53-75-82(72,73)79-59-56(63)57(64)60(77-80(66,67)68)61(58(59)65)78-81(69,70)71/h49,51,54,56-61,63-65H,3-48,50,52-53H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/b51-49-/t54-,56?,57+,58?,59-,60?,61?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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\CCCCCCCCCCCC