In-Silico Structure Database (LMISSD)
Common Name
PI(37:0/18:2(8E,12Z)(10OH[S]))
Systematic Name
1-heptatriacontanoyl-2-(10S-HODE)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059EHR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1144.849398
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
CRPKEPGRNKWMKA-KSLJAWSESA-N
InChi (Click to copy)
InChI=1S/C64H121O14P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-43-47-51-57(66)75-53-56(54-76-79(73,74)78-64-62(71)60(69)59(68)61(70)63(64)72)77-58(67)52-48-44-40-39-42-46-50-55(65)49-45-41-10-8-6-4-2/h41,45-46,50,55-56,59-65,68-72H,3-40,42-44,47-49,51-54H2,1-2H3,(H,73,74)/b45-41-,50-46+/t55-,56+,59?,60+,61?,62?,63?,64+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O