In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-22:1(9Z)/26:2(5E,9Z))
Systematic Name
1-(9Z-docosenyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029C5L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1174.682684
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)
VHGPDCRMRNMJGE-XMEURHTESA-N
InChi (Click to copy)
InChI=1S/C57H109O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-51(58)72-50(48-70-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2)49-71-78(68,69)75-55-52(59)53(60)56(73-76(62,63)64)57(54(55)61)74-77(65,66)67/h29-32,38,40,50,52-57,59-61H,3-28,33-37,39,41-49H2,1-2H3,(H,68,69)(H2,62,63,64)(H2,65,66,67)/b31-29-,32-30-,40-38+/t50-,52?,53+,54?,55-,56?,57?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=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\CCCCCCCCCCCC