In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-20:1(9Z)/38:0)
Systematic Name
1-(9Z-eicosenyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CUG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1318.870484
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)
CWHDONPXLXUYRD-ZYOLZYALSA-N
InChi (Click to copy)
InChI=1S/C67H133O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-61(68)82-60(58-80-57-55-53-51-49-47-45-43-41-22-20-18-16-14-12-10-8-6-4-2)59-81-88(78,79)85-65-62(69)63(70)66(83-86(72,73)74)67(64(65)71)84-87(75,76)77/h22,41,60,62-67,69-71H,3-21,23-40,42-59H2,1-2H3,(H,78,79)(H2,72,73,74)(H2,75,76,77)/b41-22-/t60-,62?,63+,64?,65-,66?,67?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCCCC