In-Silico Structure Database (LMISSD)
Common Name
PA(P-16:1(11Z)/28:0)
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-octacosanoyl-sn-glycero-3-phosphate
LM ID
LMGP10039AEK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.650243
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
NIKXFLOEDPSYPX-WCLJZUNXSA-N
InChi (Click to copy)
InChI=1S/C47H91O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-47(48)54-46(45-53-55(49,50)51)44-52-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2/h10,12,41,43,46H,3-9,11,13-40,42,44-45H2,1-2H3,(H2,49,50,51)/b12-10-,43-41-/t46-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC