In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](18:3(6Z,9Z,12Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019HJ6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
960.476516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
WTYYRWPUOWIUEF-ZEOBCRRJSA-N
InChi (Click to copy)
InChI=1S/C47H78O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h7,9,12-15,18-21,24-27,39,42-47,50-53H,3-6,8,10-11,16-17,22-23,28-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b9-7+,14-12-,15-13+,20-19+,21-18-,26-24+,27-25-/t39-,42+,43?,44?,45?,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O