In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:0/38:0)
Systematic Name
1-eicosyl-2-octatriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AUZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1160.953468
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
WZMKOTGZFILVJI-YJMVHCFTSA-N
InChi (Click to copy)
InChI=1S/C67H133O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-61(68)78-60(59-77-80(74,75)79-67-65(72)63(70)62(69)64(71)66(67)73)58-76-57-55-53-51-49-47-45-43-41-22-20-18-16-14-12-10-8-6-4-2/h60,62-67,69-73H,3-59H2,1-2H3,(H,74,75)/t60-,62?,63-,64?,65?,66?,67-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC