In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](22:5(7Z,10Z,13Z,16Z,19Z)/19:0)
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019OLD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1086.521099
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
PVGSRNNQDHRZMP-ACNSQHCESA-N
InChi (Click to copy)
InChI=1S/C50H89O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h5,7,11,13,17,19,22-23,26,28,42,45-50,53-55H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b7-5-,13-11-,19-17-,23-22-,28-26-/t42-,45?,46+,47?,48-,49?,50?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O