In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:1(11Z)/33:0)
Systematic Name
1-(11Z-eicosenyl)-2-tritriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AW5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1088.859568
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
IYWXULKMDIXDQQ-ORGHGFAJSA-N
InChi (Click to copy)
InChI=1S/C62H121O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-56(63)73-55(54-72-75(69,70)74-62-60(67)58(65)57(64)59(66)61(62)68)53-71-52-50-48-46-44-42-40-38-36-22-20-18-16-14-12-10-8-6-4-2/h18,20,55,57-62,64-68H,3-17,19,21-54H2,1-2H3,(H,69,70)/b20-18-/t55-,57?,58-,59?,60?,61?,62-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC