In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:1(11Z)/16:1(7Z))
Systematic Name
1-(11Z-eicosenyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ASZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1008.510534
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)
OLSPBURWXQXOIN-ZRXNIFOBSA-N
InChi (Click to copy)
InChI=1S/C45H87O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-58-36-38(60-39(46)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)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/h17-18,22,24,38,40-45,47-49H,3-16,19-21,23,25-37H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b18-17-,24-22-/t38-,40?,41?,42?,43+,44?,45+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC