In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](24:1(15Z)/16:1(7Z))
Systematic Name
1-(15Z-tetracosenoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019JKU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1078.552399
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
IEMSYPVKBHDTNT-DVEJNGOTSA-N
InChi (Click to copy)
InChI=1S/C49H93O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2)40-64-71(61,62)68-49-45(53)47(66-69(55,56)57)44(52)48(46(49)54)67-70(58,59)60/h17-18,25,28,41,44-49,52-54H,3-16,19-24,26-27,29-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b18-17-,28-25-/t41-,44?,45?,46?,47-,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/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(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O