In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/22:1(13Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039ANA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1008.510534
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)
BTVKYQICCLBROF-PIZWMAHXSA-N
InChi (Click to copy)
InChI=1S/C45H87O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-39(46)60-38(36-58-35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-59-66(56,57)63-43-40(47)41(48)44(61-64(50,51)52)45(42(43)49)62-65(53,54)55/h17-18,33,35,38,40-45,47-49H,3-16,19-32,34,36-37H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b18-17-,35-33-/t38-,40?,41+,42?,43-,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=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