In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](16:1(7Z)/20:3(5Z,8Z,11Z))
Systematic Name
1-(7Z-hexadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019F7K
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)
IXBKNYVIYJXPBO-RIXXVILESA-N
InChi (Click to copy)
InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)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/h17-18,20-23,26,28,37,40-45,48-50H,3-16,19,24-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b18-17-,22-20-,23-21-,28-26-/t37-,40?,41?,42?,43-,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C\CCCCCCCC)=O