In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](14:0/38:0)
Systematic Name
1-tetradecanoyl-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ALR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1170.805166
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
HYIGWEMPDBCCHC-AKTUIJKUSA-N
InChi (Click to copy)
InChI=1S/C61H120O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(63)75-53(51-73-54(62)49-47-45-43-41-39-14-12-10-8-6-4-2)52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70/h53,56-61,64-67H,3-52H2,1-2H3,(H,71,72)(H2,68,69,70)/t53-,56?,57?,58?,59?,60-,61+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC)=O