In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-16:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AGJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1026.463584
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)
QIOHWIXLWIEMCB-KSOIZASUSA-N
InChi (Click to copy)
InChI=1S/C47H81O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)62-40(38-60-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-61-68(58,59)65-45-42(49)43(50)46(63-66(52,53)54)47(44(45)51)64-67(55,56)57/h5,7,10-13,17,19,21-22,24,26,30,32,40,42-47,49-51H,3-4,6,8-9,14-16,18,20,23,25,27-29,31,33-39H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b7-5-,12-10-,13-11-,19-17-,22-21-,26-24-,32-30-/t40-,42?,43?,44?,45+,46?,47+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=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\CCCC