In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(9Z)/36:0)
Systematic Name
1-(9Z-hexadecenyl)-2-hexatriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029ALP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1074.843918
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
HUXOGZLFHATBMI-NCCKDTSDSA-N
InChi (Click to copy)
InChI=1S/C61H119O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(62)72-54(52-70-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)53-71-74(68,69)73-61-59(66)57(64)56(63)58(65)60(61)67/h14,16,54,56-61,63-67H,3-13,15,17-53H2,1-2H3,(H,68,69)/b16-14-/t54-,56?,57-,58?,59?,60?,61-/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)COCCCCCCCC/C=C\CCCCCC