In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-(9Z-hexadecenyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AK1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
870.562218
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
AHMZNWFLLNJPRE-WNYHGORGSA-N
InChi (Click to copy)
InChI=1S/C47H83O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)58-40(38-56-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53/h11,13-14,16-17,19,21-22,24,26,40,42-47,49-53H,3-10,12,15,18,20,23,25,27-39H2,1-2H3,(H,54,55)/b13-11-,16-14-,19-17-,22-21-,26-24-/t40-,42?,43-,44?,45?,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/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)COCCCCCCCC/C=C\CCCCCC