In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](16:1(9Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(9Z-hexadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AX6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
990.427199
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
KDGXQZNETGVGII-FINPSNDYSA-N
InChi (Click to copy)
InChI=1S/C43H77O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h11,13-14,16-18,22,24,35,38-43,46-48H,3-10,12,15,19-21,23,25-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b13-11-,16-14-,18-17-,24-22-/t35-,38?,39?,40?,41+,42?,43+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/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(CCCCCCC/C=C\CCCCCC)=O