In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](14:1(9Z)/26:2(5Z,9E))
Systematic Name
1-(9Z-tetradecenoyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019LAF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1076.536749
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
AJVRJLSCAAJFCG-FZBRTELTSA-N
InChi (Click to copy)
InChI=1S/C49H91O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-14-12-10-8-6-4-2)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/h10,12,24-25,30,32,41,44-49,52-54H,3-9,11,13-23,26-29,31,33-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b12-10-,25-24+,32-30-/t41-,44?,45+,46?,47-,48?,49?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCC)=O