In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](18:2(6Z,9Z)/38:0)
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019G9J
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1222.836466
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
DJJLSBYNHPKQAB-CNQZWHFVSA-N
InChi (Click to copy)
InChI=1S/C65H124O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-59(67)79-57(55-77-58(66)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)56-78-83(75,76)81-65-62(70)60(68)64(61(69)63(65)71)80-82(72,73)74/h18,39,43,45,57,60-65,68-71H,3-17,19-38,40-42,44,46-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b39-18-,45-43-/t57-,60+,61?,62?,63?,64?,65-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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\CCCCCCCC)=O