In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/37:0)
Systematic Name
1-(1Z-tetradecenyl)-2-heptatriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039AN1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1220.760934
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
ZOLJJXXLRPXDMN-MBDAGOPASA-N
InChi (Click to copy)
InChI=1S/C60H119O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-54(61)75-53(51-73-50-48-46-44-42-40-16-14-12-10-8-6-4-2)52-74-81(71,72)78-58-55(62)56(63)59(76-79(65,66)67)60(57(58)64)77-80(68,69)70/h48,50,53,55-60,62-64H,3-47,49,51-52H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b50-48-/t53-,55?,56+,57?,58-,59?,60?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCC