In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](33:0/16:1(9Z))
Systematic Name
1-tritriacontanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019PSI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1206.708899
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
GDGAJNURPFOCHM-JLIAMDEFSA-N
InChi (Click to copy)
InChI=1S/C58H113O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-51(59)72-48-50(74-52(60)47-45-43-41-39-37-34-16-14-12-10-8-6-4-2)49-73-80(70,71)77-56-53(61)54(62)57(75-78(64,65)66)58(55(56)63)76-79(67,68)69/h14,16,50,53-58,61-63H,3-13,15,17-49H2,1-2H3,(H,70,71)(H2,64,65,66)(H2,67,68,69)/b16-14-/t50-,53?,54+,55?,56-,57?,58?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O