In-Silico Structure Database (LMISSD)
Common Name
PA(P-22:1(9Z)/27:0)
Systematic Name
1-(1Z,9Z-docosenyl)-2-heptacosanoyl-sn-glycero-3-phosphate
LM ID
LMGP10039A1L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
868.728493
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
XURISSUJTMOUJR-RMDDXCEFSA-N
InChi (Click to copy)
InChI=1S/C52H101O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-31-33-35-37-39-41-43-45-47-52(53)59-51(50-58-60(54,55)56)49-57-48-46-44-42-40-38-36-34-32-30-24-22-20-18-16-14-12-10-8-6-4-2/h30,32,46,48,51H,3-29,31,33-45,47,49-50H2,1-2H3,(H2,54,55,56)/b32-30-,48-46-/t51-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC