In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](20:0/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019HVQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
992.539116
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
JYHCJZADNNKCAV-ICPOXTEMSA-N
InChi (Click to copy)
InChI=1S/C49H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)61-39-41(40-62-67(59,60)65-49-46(54)44(52)48(45(53)47(49)55)64-66(56,57)58)63-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,41,44-49,52-55H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b8-6-,14-12-,20-18-,26-24-,32-30-/t41-,44+,45?,46?,47?,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/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(CCCCCCCCCCCCCCCCCCC)=O