In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](18:2(2E,4E)/22:2(13Z,16Z))
Systematic Name
1-(2E,4E-octadecadienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019MHU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.554766
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
IFRUPFNKWCZYPI-JYPUUMSESA-N
InChi (Click to copy)
InChI=1S/C49H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)63-41(39-61-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58/h11,13,17,19,31,33,35,37,41,44-49,52-55H,3-10,12,14-16,18,20-30,32,34,36,38-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b13-11-,19-17-,33-31+,37-35+/t41-,44-,45?,46?,47?,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O