In-Silico Structure Database (LMISSD)
Common Name
PA(18:2(9E,11E)/25:0)
Systematic Name
1-(9E,11E-octadecadienoyl)-2-pentacosanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019BZ0
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)
JSHXWOIECIPLBA-HTICWLHWSA-N
InChi (Click to copy)
InChI=1S/C46H87O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(48)54-44(43-53-55(49,50)51)42-52-45(47)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h14,16,18,26,44H,3-13,15,17,19-25,27-43H2,1-2H3,(H2,49,50,51)/b16-14+,26-18+/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O