In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](18:1(13Z)/18:3(9Z,12Z,15Z))
Systematic Name
1-(13Z-octadecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019GPP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1018.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
SHPARNKXSDSMRX-FSEWAASVSA-N
InChi (Click to copy)
InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h6,8-9,11-12,14,18,20,37,40-45,48-50H,3-5,7,10,13,15-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b8-6-,11-9-,14-12-,20-18-/t37-,40?,41?,42?,43-,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/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(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCC/C=C\CCCC)=O