In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](38:0/29:0)
Systematic Name
1-octatriacontanoyl-2-nonacosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019P5R
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1461.006249
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
PALGNYXOCBSHNJ-CREXBVHXSA-N
InChi (Click to copy)
InChI=1S/C76H151O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-62-64-69(77)90-66-68(67-91-98(88,89)95-74-71(79)72(80)75(93-96(82,83)84)76(73(74)81)94-97(85,86)87)92-70(78)65-63-61-59-57-55-53-51-49-47-45-43-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h68,71-76,79-81H,3-67H2,1-2H3,(H,88,89)(H2,82,83,84)(H2,85,86,87)/t68-,71?,72+,73?,74-,75?,76?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O