In-Silico Structure Database (LMISSD)
Common Name
PI(13:0/36:0)
Systematic Name
1-tridecanoyl-2-hexatriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06019AJE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1048.791883
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
BGJGWAAETPUOKU-FUWFHYHUSA-N
InChi (Click to copy)
InChI=1S/C58H113O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-52(60)70-50(48-68-51(59)46-44-42-40-38-14-12-10-8-6-4-2)49-69-72(66,67)71-58-56(64)54(62)53(61)55(63)57(58)65/h50,53-58,61-65H,3-49H2,1-2H3,(H,66,67)/t50-,53?,54-,55?,56?,57?,58-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCC)=O