In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:0/26:2(5Z,9E))
Systematic Name
1-eicosyl-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ASB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1148.667034
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)
JHFNGWLGHFOMHY-AGJTXSOZSA-N
InChi (Click to copy)
InChI=1S/C55H107O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(56)70-48(46-68-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)47-69-76(66,67)73-53-50(57)51(58)54(71-74(60,61)62)55(52(53)59)72-75(63,64)65/h28,30,36,38,48,50-55,57-59H,3-27,29,31-35,37,39-47H2,1-2H3,(H,66,67)(H2,60,61,62)(H2,63,64,65)/b30-28+,38-36-/t48-,50?,51?,52?,53+,54?,55+/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](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC