In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](O-16:0/29:0)
Systematic Name
1-hexadecyl-2-nonacosanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08029BC6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1138.682684
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)
BRPIBMHKGISGOB-ZYJTWXQVSA-N
InChi (Click to copy)
InChI=1S/C54H109O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-48(55)69-47(45-67-44-42-40-38-36-34-32-18-16-14-12-10-8-6-4-2)46-68-75(65,66)72-54-50(57)52(70-73(59,60)61)49(56)53(51(54)58)71-74(62,63)64/h47,49-54,56-58H,3-46H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/t47-,49?,50?,51?,52-,53?,54-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COCCCCCCCCCCCCCCCC