In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-22:0/31:0)
Systematic Name
1-docosyl-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029A30
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1250.807884
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
WFKOPWHHPRNQTH-YLXILZFJSA-N
InChi (Click to copy)
InChI=1S/C62H125O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-49-51-56(63)77-55(53-75-52-50-48-46-44-42-40-38-36-34-24-22-20-18-16-14-12-10-8-6-4-2)54-76-83(73,74)80-60-57(64)58(65)61(78-81(67,68)69)62(59(60)66)79-82(70,71)72/h55,57-62,64-66H,3-54H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/t55-,57?,58?,59?,60+,61?,62+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCCCC