In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](P-22:0/28:0)
Systematic Name
1-(1Z-docosenyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08039BOO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1206.745284
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
UJJRPIIIFBTLTM-DMAXSOFTSA-N
InChi (Click to copy)
InChI=1S/C59H117O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(60)74-52(50-72-49-47-45-43-41-39-37-35-33-31-24-22-20-18-16-14-12-10-8-6-4-2)51-73-80(70,71)77-59-55(62)57(75-78(64,65)66)54(61)58(56(59)63)76-79(67,68)69/h47,49,52,54-59,61-63H,3-46,48,50-51H2,1-2H3,(H,70,71)(H2,64,65,66)(H2,67,68,69)/b49-47-/t52-,54?,55?,56?,57-,58?,59-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCCCCCCCCCC