In-Silico Structure Database (LMISSD)
Common Name
PA(P-22:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10039A07
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
788.571993
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
PPALELHHAQYFJQ-WQOOPQPLSA-N
InChi (Click to copy)
InChI=1S/C47H81O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-52-44-46(45-53-55(49,50)51)54-47(48)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24-27,30,32,36,38,41,43,46H,3-11,13,15-17,19,21-23,28-29,31,33-35,37,39-40,42,44-45H2,1-2H3,(H2,49,50,51)/b14-12-,20-18-,26-24-,27-25-,32-30-,38-36-,43-41-/t46-/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\CCCCCC/C=C\CCCCCCCCCCCC