In-Silico Structure Database (LMISSD)
Common Name
PA(25:0/18:2(6Z,9Z))
Systematic Name
1-pentacosanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019EEJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.613858
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
XLSVVDWVIUFMOV-OFOSTSCTSA-N
InChi (Click to copy)
InChI=1S/C46H87O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-40-45(47)52-42-44(43-53-55(49,50)51)54-46(48)41-39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2/h18,26,31,33,44H,3-17,19-25,27-30,32,34-43H2,1-2H3,(H2,49,50,51)/b26-18-,33-31-/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O