In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019CC9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1040.442849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
UHFRQKPYLSZAFX-SOHIBYRASA-N
InChi (Click to copy)
InChI=1S/C47H79O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h6,8,11-14,17-19,21-22,24-25,27,39,42-47,50-52H,3-5,7,9-10,15-16,20,23,26,28-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O