In-Silico Structure Database (LMISSD)
Common Name
PG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-tetracosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04019D8K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
906.634988
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
MBWNEHFQIBRVOB-RWPLHKCUSA-N
InChi (Click to copy)
InChI=1S/C52H91O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-51(55)59-47-50(48-61-63(57,58)60-46-49(54)45-53)62-52(56)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,28,32,34,38,40,49-50,53-54H,3-5,7,9-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-48H2,1-2H3,(H,57,58)/b8-6-,14-12-,20-18-,28-25-,34-32-,40-38-/t49-,50+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O