In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](20:2(5Z,8Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(5Z,8Z-eicosadienoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019CX6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1070.489799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
PMWKLMPZYQBNSM-KIIHTSNASA-N
InChi (Click to copy)
InChI=1S/C49H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h8,10,14,16,20,22-23,25-26,28-29,31,41,44-49,52-54H,3-7,9,11-13,15,17-19,21,24,27,30,32-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b10-8+,16-14+,22-20+,25-23-,28-26+,31-29-/t41-,44?,45?,46?,47+,48?,49+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O