In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](19:0/16:1(9Z))
Systematic Name
1-nonadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019M3O
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1010.489799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
VGMAKQCVKCMNIV-CGZJLHFCSA-N
InChi (Click to copy)
InChI=1S/C44H85O19P3/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-37(45)58-34-36(60-38(46)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)35-59-66(56,57)63-42-39(47)40(48)43(61-64(50,51)52)44(41(42)49)62-65(53,54)55/h14,16,36,39-44,47-49H,3-13,15,17-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b16-14-/t36-,39?,40+,41?,42-,43?,44?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCC)=O