In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-eicosyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AUD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
916.559456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
CQTHZFFFXBCHAU-YFOUFXISSA-N
InChi (Click to copy)
InChI=1S/C48H86O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(50)60-47(45-59-62(54,55)58-43-46(49)42-57-61(51,52)53)44-56-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,28,30,34,36,46-47,49H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-33,35,37-45H2,1-2H3,(H,54,55)(H2,51,52,53)/b7-5-,13-11-,19-17-,24-23-,30-28-,36-34-/t46-,47+/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)COP(O)(O)=O)COCCCCCCCCCCCCCCCCCCCC