In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](15:1(9Z)/26:2(5Z,9E))
Systematic Name
1-(9Z-pentadecenoyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019ASB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1090.552399
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ZRFWEOLHYMPTJN-UFPLZROBSA-N
InChi (Click to copy)
InChI=1S/C50H93O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-44(52)66-42(40-64-43(51)38-36-34-32-30-28-16-14-12-10-8-6-4-2)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/h12,14,25-26,31,33,42,45-50,53-55H,3-11,13,15-24,27-30,32,34-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b14-12-,26-25+,33-31-/t42-,45?,46?,47?,48+,49?,50+/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](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCC/C=C\CCCCC)=O