In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](18:1(11E)/37:0)
Systematic Name
1-(11E-octadecenoyl)-2-heptatriacontanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019BA3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1290.802799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
LNNPGRJUDZQZLR-DZIQEANPSA-N
InChi (Click to copy)
InChI=1S/C64H125O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-58(66)80-56(54-78-57(65)52-50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2)55-79-86(76,77)83-62-59(67)60(68)63(81-84(70,71)72)64(61(62)69)82-85(73,74)75/h14,16,56,59-64,67-69H,3-13,15,17-55H2,1-2H3,(H,76,77)(H2,70,71,72)(H2,73,74,75)/b16-14+/t56-,59?,60?,61?,62+,63?,64+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCC/C=C/CCCCCC)=O