In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019I51
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1040.539116
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
VMEDTXCTQLFTGJ-NYQQLJJASA-N
InChi (Click to copy)
InChI=1S/C53H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(54)65-43-45(44-66-71(63,64)69-53-50(58)48(56)52(49(57)51(53)59)68-70(60,61)62)67-47(55)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,45,48-53,56-59H,3-5,7,9-10,15-16,21-22,27-28,33-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-,48+,49?,50?,51?,52?,53-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O