In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](33:0/17:0)
Systematic Name
1-tritriacontanoyl-2-heptadecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019KG6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1222.740199
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
FCEMVYMJJOYKPU-NJPGFKNTSA-N
InChi (Click to copy)
InChI=1S/C59H117O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-52(60)73-49-51(75-53(61)48-46-44-42-40-38-35-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-59-55(63)57(76-79(65,66)67)54(62)58(56(59)64)77-80(68,69)70/h51,54-59,62-64H,3-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/t51-,54?,55?,56?,57-,58?,59-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O