In-Silico Structure Database (LMISSD)
Common Name
PG(P-14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039DE2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
750.483573
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
ZERLCOALBGYJTJ-PETAJHQISA-N
InChi (Click to copy)
InChI=1S/C42H71O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-42(45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,28,30,33,35,40-41,43-44H,3-4,6,8-10,12,14-16,19,22,25-27,29,31-32,34,36-39H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,24-23-,30-28-,35-33-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCCCCCC