In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-18:1(9Z)/21:0)
Systematic Name
1-(9Z-octadecenyl)-2-heneicosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CMP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1052.573134
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)
UZOIVIJGDMGVCC-KGEJVOTLSA-N
InChi (Click to copy)
InChI=1S/C48H95O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-42(49)63-41(39-61-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2)40-62-69(59,60)66-46-43(50)44(51)47(64-67(53,54)55)48(45(46)52)65-68(56,57)58/h18,20,41,43-48,50-52H,3-17,19,21-40H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b20-18-/t41-,43?,44+,45?,46-,47?,48?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=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\CCCCCCCC