In-Silico Structure Database (LMISSD)
Common Name
PI(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-octadecyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AND
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.593518
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
ZPAHVOQBDZMBBR-NTTBUAPESA-N
InChi (Click to copy)
InChI=1S/C49H87O12P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(50)60-42(41-59-62(56,57)61-49-47(54)45(52)44(51)46(53)48(49)55)40-58-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,42,44-49,51-55H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-41H2,1-2H3,(H,56,57)/b13-11-,19-17-,23-22-,28-26-,34-32-/t42-,44?,45-,46?,47?,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCC