In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:0/27:0)
Systematic Name
1-eicosyl-2-heptacosanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ASD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1166.713984
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)
MGUQHCCZEWFFAM-SSGCLUDYSA-N
InChi (Click to copy)
InChI=1S/C56H113O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-50(57)71-49(47-69-46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2)48-70-77(67,68)74-54-51(58)52(59)55(72-75(61,62)63)56(53(54)60)73-76(64,65)66/h49,51-56,58-60H,3-48H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/t49-,51?,52?,53?,54+,55?,56+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC