In-Silico Structure Database (LMISSD)
Common Name
PGP(11:0/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-undecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019AD4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.429171
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
GMQSPIWTEGLSPA-YTRPUWTGSA-N
InChi (Click to copy)
InChI=1S/C39H70O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-39(42)52-37(34-48-38(41)30-28-26-24-12-10-8-6-4-2)35-51-54(46,47)50-33-36(40)32-49-53(43,44)45/h11,13,15-16,18-19,21-22,36-37,40H,3-10,12,14,17,20,23-35H2,1-2H3,(H,46,47)(H2,43,44,45)/b13-11-,16-15-,19-18-,22-21-/t36-,37+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O)(=O)O