In-Silico Structure Database (LMISSD)
Common Name
PA(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10039AIR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
734.525043
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
GMAOEOUARYIGOV-LBLBNSPASA-N
InChi (Click to copy)
InChI=1S/C43H75O7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(44)50-42(41-49-51(45,46)47)40-48-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,37,39,42H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38,40-41H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-,23-22-,28-26-,34-32-,39-37-/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC